1260.0150 0.1002 -9.8772 3 133.4075213 89502 303351520 351521 a-Alanine, conf. I
1401.3865 0.1969 -9.8696 3 199.3319261 89502 303431825 431826 a-Alanine, conf. I
1430.0655 0.0727 -9.7479 3 98.6790183 89502 303301317 301318 a-Alanine, conf. I
1535.8779 0.1112 -9.8795 3 134.3979219 89502 303361225 361125 a-Alanine, conf. I
1563.0364 0.0470 -9.6691 3 69.1699153 89502 303251114 251115 a-Alanine, conf. I
1581.7725 0.0113 -9.7196 3 25.8329 93 89502 30315 7 8 15 7 9 a-Alanine, conf. I
1623.2923 0.0906 -9.8179 3 113.1120201 89502 303331123 331023 a-Alanine, conf. I
1627.8936 0.0260 -9.6524 3 44.8863123 89502 30320 911 20 912 a-Alanine, conf. I
1670.4177 0.1623 -9.6746 3 156.3162231 89502 303381622 381623 a-Alanine, conf. I
1707.3632 0.0717 -9.7670 3 93.6549183 89502 303301021 30 921 a-Alanine, conf. I
1783.5347 0.0547 -9.7288 3 76.0279165 89502 30327 919 27 819 a-Alanine, conf. I
1787.3963 0.4688 -9.8396 3 311.1038327 89502 303542232 542233 a-Alanine, conf. I
1790.6894 0.2971 -9.7100 3 227.1364279 89502 303461927 461928 a-Alanine, conf. I
1836.2983 0.0022 -9.7606 3 7.8236 51 89502 303 8 4 4 8 4 5 a-Alanine, conf. I
1845.6488 0.0398 -9.7062 3 60.2322147 89502 30324 817 24 717 a-Alanine, conf. I
1852.0802 0.0098 -9.7777 3 23.8452 93 89502 30315 511 15 411 a-Alanine, conf. I
1885.5093 0.0273 -9.7029 3 46.2691129 89502 30321 715 21 615 a-Alanine, conf. I
1892.3383 0.0173 -9.7242 3 34.1397111 89502 30318 613 18 513 a-Alanine, conf. I
1933.3172 0.1237 -9.5213 3 118.5085201 89502 303331419 331420 a-Alanine, conf. I
2116.9070 0.3906 -9.7747 3 258.7145303 89502 303501734 501634 a-Alanine, conf. I
2164.7469 0.0854 -9.4142 3 85.9163171 89502 303281216 281217 a-Alanine, conf. I
2165.2514 0.2532 -9.4960 3 181.0490249 89502 303411724 411725 a-Alanine, conf. I
2182.6495 0.6554 -9.7341 3 345.6043345 89502 303572334 572335 a-Alanine, conf. I
2245.9099 0.0099 -9.4874 3 19.4954 81 89502 30313 6 7 13 6 8 a-Alanine, conf. I
2247.6057 0.4358 -9.5702 3 256.7607297 89502 303492029 492030 a-Alanine, conf. I
2251.1713 0.3444 -9.6830 3 228.8675285 89502 303471632 471532 a-Alanine, conf. I
2304.7595 0.0012 -9.6914 3 4.5193 39 89502 303 6 3 3 6 3 4 a-Alanine, conf. I
2329.3549 0.0518 -9.3612 3 58.5464141 89502 303231013 231014 a-Alanine, conf. I
2378.6405 0.0262 -9.3764 3 36.4044111 89502 30318 810 18 811 a-Alanine, conf. I
2395.3047 0.3000 -9.5963 3 200.8409267 89502 303441530 441430 a-Alanine, conf. I
2545.6736 0.2009 -9.3222 3 140.1643219 89502 303361521 361522 a-Alanine, conf. I
2547.9095 0.2575 -9.5155 3 174.6369249 89502 303411428 411328 a-Alanine, conf. I
2613.6424 0.0005 -9.7522 3 2.1019 27 89502 303 4 2 2 4 2 3 a-Alanine, conf. I
2627.6411 0.8972 -9.6449 3 381.9165363 89502 303602436 602437 a-Alanine, conf. I
2706.7707 0.2171 -9.4417 3 150.2570231 89502 303381326 381226 a-Alanine, conf. I
2751.4070 0.3822 -9.3390 3 207.6047267 89502 303441826 441827 a-Alanine, conf. I
2775.4357 0.6231 -9.4487 3 288.2029315 89502 303522131 522132 a-Alanine, conf. I
2802.1169 0.0001 -9.0465 3 0.1790 9 89502 303 1 1 0 1 0 1 a-Alanine, conf. I
2820.3107 0.0021 -9.6473 3 7.1240 51 89502 303 8 3 6 8 2 6 a-Alanine, conf. I
2868.5904 0.1791 -9.3762 3 127.7031213 89502 303351224 351124 a-Alanine, conf. I
2903.0646 0.1461 -9.1921 3 104.4906189 89502 303311318 311319 a-Alanine, conf. I
3028.6632 0.1439 -9.3205 3 106.9768195 89502 303321122 321022 a-Alanine, conf. I
3043.5324 0.9763 -9.6784 3 384.6710369 89502 303612141 612041 a-Alanine, conf. I
3049.9714 0.0075 -9.3123 3 14.0416 69 89502 30311 5 6 11 5 7 a-Alanine, conf. I
3121.2314 1.2046 -9.5713 3 420.0377381 89502 303632538 632539 a-Alanine, conf. I
3180.4828 0.1119 -9.2764 3 88.0794177 89502 303291020 29 920 a-Alanine, conf. I
3187.7716 0.0059 -9.4586 3 13.1811 69 89502 30311 4 8 11 3 8 a-Alanine, conf. I
3197.0489 0.0952 -9.1114 3 74.0352159 89502 303261115 261116 a-Alanine, conf. I
3209.3138 0.8823 -9.5766 3 348.1207351 89502 303582039 581939 a-Alanine, conf. I
3276.6226 0.3135 -9.1475 3 163.6456237 89502 303391623 391624 a-Alanine, conf. I
3315.2744 0.0835 -9.2462 3 71.0126159 89502 30326 918 26 818 a-Alanine, conf. I
3357.1764 0.0241 -9.1443 3 28.8051 99 89502 30316 7 9 16 710 a-Alanine, conf. I
3372.8852 0.0534 -9.0895 3 48.8048129 89502 30321 912 21 913 a-Alanine, conf. I
3375.9777 0.8702 -9.3445 3 321.4610333 89502 303552233 552234 a-Alanine, conf. I
3393.5114 0.7926 -9.4774 3 313.3823333 89502 303551937 551837 a-Alanine, conf. I
3395.1185 0.0129 -9.3424 3 21.0762 87 89502 30314 510 14 410 a-Alanine, conf. I
3421.4414 0.0593 -9.2329 3 55.7775141 89502 30323 816 23 716 a-Alanine, conf. I
3434.3513 0.5600 -9.2019 3 235.9817285 89502 303471928 471929 a-Alanine, conf. I
3483.3490 0.0240 -9.2742 3 30.8081105 89502 30317 612 17 512 a-Alanine, conf. I
3483.9123 0.0394 -9.2404 3 42.3756123 89502 30320 714 20 614 a-Alanine, conf. I
3595.9908 0.7066 -9.3817 3 280.4581315 89502 303521835 521735 a-Alanine, conf. I
3660.7027 1.5883 -9.5126 3 459.9653399 89502 303662640 662641 a-Alanine, conf. I
3789.9152 0.2377 -8.9983 3 124.8923207 89502 303341420 341421 a-Alanine, conf. I
3816.1422 0.6242 -9.2901 3 249.3505297 89502 303491733 491633 a-Alanine, conf. I
3854.4929 0.0002 -8.6359 3 0.5297 15 89502 303 2 1 1 2 0 2 a-Alanine, conf. I
3911.3927 0.0048 -9.2087 3 9.4710 57 89502 303 9 4 5 9 4 6 a-Alanine, conf. I
4049.2531 1.1897 -9.2565 3 356.5327351 89502 303582335 582336 a-Alanine, conf. I
4052.6763 0.5450 -9.2033 3 220.0616279 89502 303461631 461531 a-Alanine, conf. I
4133.9114 0.4724 -8.9947 3 188.9511255 89502 303421725 421726 a-Alanine, conf. I
4217.7251 0.7989 -9.0832 3 266.1783303 89502 303502030 502031 a-Alanine, conf. I
4241.6552 2.0589 -9.4683 3 501.6962417 89502 303692742 692743 a-Alanine, conf. I
4244.6719 0.1636 -8.8954 3 91.3529177 89502 303291217 291218 a-Alanine, conf. I
4303.3727 0.4692 -9.1225 3 192.5935261 89502 303431529 431429 a-Alanine, conf. I
4535.7737 0.0198 -8.9656 3 22.0875 87 89502 30314 6 8 14 6 9 a-Alanine, conf. I
4538.0756 0.0019 -9.3787 3 5.6323 45 89502 303 7 3 5 7 2 5 a-Alanine, conf. I
4564.7733 0.3972 -9.0486 3 166.9482243 89502 303401427 401327 a-Alanine, conf. I
4578.6256 0.0993 -8.8460 3 63.0346147 89502 303241014 241015 a-Alanine, conf. I
4672.0042 0.0025 -9.1931 3 5.7837 45 89502 303 7 3 4 7 3 5 a-Alanine, conf. I
4710.7340 0.0507 -8.8618 3 39.9441117 89502 30319 811 19 812 a-Alanine, conf. I
4793.2759 1.5946 -9.1839 3 393.4155369 89502 303612437 612438 a-Alanine, conf. I
4827.5929 1.8628 -9.4192 3 450.6061399 89502 303662344 662244 a-Alanine, conf. I
4831.8160 0.3295 -8.9828 3 143.1275225 89502 303371325 371225 a-Alanine, conf. I
4835.0323 0.3705 -8.8291 3 147.1206225 89502 303371522 371523 a-Alanine, conf. I
4857.9602 2.6268 -9.4379 3 545.2272435 89502 303722844 722845 a-Alanine, conf. I
5053.8341 1.6874 -9.3168 3 410.9965381 89502 303632242 632142 a-Alanine, conf. I
5097.4095 0.2666 -8.9264 3 121.1331207 89502 303341223 341123 a-Alanine, conf. I
5102.9792 1.1127 -8.9817 3 298.1925321 89502 303532132 532133 a-Alanine, conf. I
5113.6010 0.0010 -9.2926 3 2.9808 33 89502 303 5 2 3 5 2 4 a-Alanine, conf. I
5123.0391 0.6901 -8.8619 3 216.0794273 89502 303451827 451828 a-Alanine, conf. I
5225.2039 0.0060 -9.1514 3 11.1199 63 89502 30310 4 7 10 3 7 a-Alanine, conf. I
5308.0603 1.5217 -9.2165 3 373.1937363 89502 303602140 602040 a-Alanine, conf. I
5351.9519 0.2093 -8.8813 3 100.9668189 89502 303311121 311021 a-Alanine, conf. I
5364.9537 0.0001 -9.2985 3 0.0000 9 89502 303 1 0 1 0 0 0 a-Alanine, conf. I
5483.1532 0.2663 -8.7083 3 110.4988195 89502 303321319 321320 a-Alanine, conf. I
5582.8027 0.1585 -8.8493 3 82.6302171 89502 303281019 28 919 a-Alanine, conf. I
5590.0923 1.3641 -9.1191 3 337.2004345 89502 303572038 571938 a-Alanine, conf. I
5603.8861 2.0984 -9.1261 3 432.1066387 89502 303642539 642540 a-Alanine, conf. I
5651.6654 0.0145 -9.0064 3 18.4469 81 89502 30313 5 9 13 4 9 a-Alanine, conf. I
5734.6273 0.0004 -8.2781 3 1.0405 21 89502 303 3 1 2 3 0 3 a-Alanine, conf. I
5773.7184 0.1146 -8.8329 3 66.1250153 89502 30325 917 25 817 a-Alanine, conf. I
5794.9263 0.0004 -8.1800 3 1.2317 21 89502 303 3 2 1 3 1 2 a-Alanine, conf. I
5814.7826 0.0142 -8.8484 3 16.2507 75 89502 30312 5 7 12 5 8 a-Alanine, conf. I
5877.4905 0.0287 -8.9145 3 27.6121 99 89502 30316 611 16 511 a-Alanine, conf. I
5899.2015 1.2137 -9.0252 3 303.0193327 89502 303541936 541836 a-Alanine, conf. I
5904.2590 0.0784 -8.8352 3 51.4526135 89502 30322 815 22 715 a-Alanine, conf. I
5949.1456 0.0498 -8.8604 3 38.6145117 89502 30319 713 19 613 a-Alanine, conf. I
6006.6845 0.1716 -8.6373 3 79.0939165 89502 303271116 271117 a-Alanine, conf. I
6045.3522 0.5564 -8.6821 3 171.1743243 89502 303401624 401625 a-Alanine, conf. I
6089.0724 1.5159 -8.8963 3 332.0221339 89502 303562234 562235 a-Alanine, conf. I
6111.1755 0.0005 -8.4361 3 0.6582 15 89502 303 2 2 0 2 1 1 a-Alanine, conf. I
6117.5689 0.0003 -7.9846 3 1.9850 27 89502 303 4 2 2 4 1 3 a-Alanine, conf. I
6233.8639 1.0699 -8.9357 3 270.6526309 89502 303511834 511734 a-Alanine, conf. I
6246.8097 0.9805 -8.7476 3 245.0288291 89502 303481929 481930 a-Alanine, conf. I
6298.1850 0.0435 -8.6846 3 31.9631105 89502 30317 710 17 711 a-Alanine, conf. I
6315.4844 0.0958 -8.6244 3 52.9130135 89502 30322 913 22 914 a-Alanine, conf. I
6474.6555 2.7145 -9.0824 3 472.6033405 89502 303672641 672642 a-Alanine, conf. I
6479.0086 0.0015 -9.2230 3 4.3032 39 89502 303 6 3 4 6 2 4 a-Alanine, conf. I
6591.4626 0.9324 -8.8512 3 240.1029291 89502 303481732 481632 a-Alanine, conf. I
6919.9832 0.4138 -8.5462 3 131.4724213 89502 303351421 351422 a-Alanine, conf. I
6967.9396 0.8015 -8.7728 3 211.3723273 89502 303451630 451530 a-Alanine, conf. I
7023.5818 0.0087 -8.7990 3 11.2942 63 89502 30310 4 6 10 4 7 a-Alanine, conf. I
7172.2533 2.0238 -8.8263 3 367.6647357 89502 303592336 592337 a-Alanine, conf. I
7330.1798 0.0002 -8.3871 3 0.0000 9 89502 303 1 1 1 0 0 0 a-Alanine, conf. I
7349.5968 0.0005 -7.7749 3 2.9062 33 89502 303 5 2 3 5 1 4 a-Alanine, conf. I
7357.3979 0.6777 -8.7015 3 184.4629255 89502 303421528 421428 a-Alanine, conf. I
7396.8758 3.4559 -9.0523 3 514.9023423 89502 303702743 702744 a-Alanine, conf. I
7424.5104 0.8085 -8.5552 3 197.0521261 89502 303431726 431727 a-Alanine, conf. I
7504.9772 1.3585 -8.6503 3 275.7973309 89502 303512031 512032 a-Alanine, conf. I
7663.8672 0.2793 -8.4577 3 96.9823183 89502 303301218 301219 a-Alanine, conf. I
7668.1813 0.0051 -8.9453 3 9.2152 57 89502 303 9 4 6 9 3 6 a-Alanine, conf. I
7751.6632 0.5619 -8.6384 3 159.3770237 89502 303391426 391326 a-Alanine, conf. I
7799.0507 3.0760 -9.0898 3 478.9808411 89502 303682445 682345 a-Alanine, conf. I
7951.0961 0.0043 -8.8254 3 7.2181 51 89502 303 8 3 5 8 3 6 a-Alanine, conf. I
8011.8459 0.0334 -8.5619 3 24.8605 93 89502 30315 6 9 15 610 a-Alanine, conf. I
8121.7707 2.7741 -8.9900 3 438.1235393 89502 303652343 652243 a-Alanine, conf. I
8139.8218 0.4550 -8.5847 3 136.1164219 89502 303361324 361224 a-Alanine, conf. I
8176.1403 0.1668 -8.4226 3 67.7120153 89502 303251015 251016 a-Alanine, conf. I
8338.4103 0.0844 -8.4509 3 43.6690123 89502 30320 812 20 813 a-Alanine, conf. I
8345.9406 2.6519 -8.7707 3 405.1176375 89502 303622438 622439 a-Alanine, conf. I
8359.6294 4.3344 -9.0353 3 559.0005441 89502 303732845 732846 a-Alanine, conf. I
8383.8115 0.0017 -8.9482 3 4.0236 39 89502 303 6 2 4 6 2 5 a-Alanine, conf. I
8406.3476 0.0004 -8.3486 3 0.5745 15 89502 303 2 2 1 2 1 2 a-Alanine, conf. I
8479.5533 0.0006 -7.9735 3 1.7022 27 89502 303 4 1 3 4 0 4 a-Alanine, conf. I
8483.3178 0.0137 -8.7654 3 15.9678 75 89502 30312 5 8 12 4 8 a-Alanine, conf. I
8483.7074 2.4899 -8.8927 3 399.0704375 89502 303622241 622141 a-Alanine, conf. I
8507.7601 0.3582 -8.5419 3 114.6831201 89502 303331222 331122 a-Alanine, conf. I
8549.1498 0.0003 -8.3656 3 0.2445 15 89502 303 2 0 2 1 1 1 a-Alanine, conf. I
8558.7061 0.6181 -8.4062 3 154.2725231 89502 303381523 381524 a-Alanine, conf. I
8783.7681 0.0007 -7.5434 3 4.3032 39 89502 303 6 3 3 6 2 4 a-Alanine, conf. I
8837.7338 0.2727 -8.5118 3 95.0791183 89502 303301120 301020 a-Alanine, conf. I
8883.4219 2.2209 -8.7986 3 361.8244357 89502 303592139 592039 a-Alanine, conf. I
8894.0091 1.8399 -8.5690 3 308.3830327 89502 303542133 542134 a-Alanine, conf. I
8972.4775 1.1412 -8.4465 3 224.7524279 89502 303461828 461829 a-Alanine, conf. I
9000.3146 0.0294 -8.6455 3 24.5603 93 89502 30315 610 15 510 a-Alanine, conf. I
9107.9952 0.1992 -8.4963 3 77.3062165 89502 303271018 27 918 a-Alanine, conf. I
9210.0798 0.0009 -7.4264 3 5.6323 45 89502 303 7 3 4 7 2 5 a-Alanine, conf. I
9249.4434 0.0009 -7.6403 3 3.1514 33 89502 303 5 3 2 5 2 3 a-Alanine, conf. I
9276.8486 0.0544 -8.5672 3 34.9917111 89502 30318 712 18 612 a-Alanine, conf. I
9292.4900 0.1385 -8.4980 3 61.3662147 89502 30324 916 24 816 a-Alanine, conf. I
9318.5383 1.9657 -8.7083 3 326.3883339 89502 303562037 561937 a-Alanine, conf. I
9360.6015 0.0904 -8.5202 3 47.2608129 89502 30321 814 21 714 a-Alanine, conf. I
9552.5035 0.4327 -8.3031 3 116.6992201 89502 303331320 331321 a-Alanine, conf. I
9600.7070 3.4156 -8.7290 3 444.3781393 89502 303652540 652541 a-Alanine, conf. I
9618.7848 0.0012 -7.5529 3 3.9824 39 89502 303 6 2 4 6 1 5 a-Alanine, conf. I
9663.8555 0.0227 -8.4947 3 18.6354 81 89502 30313 5 8 13 5 9 a-Alanine, conf. I
9782.7184 0.0004 -8.0291 3 1.0655 21 89502 303 3 2 2 3 1 3 a-Alanine, conf. I
9785.4070 1.7233 -8.6225 3 292.7647321 89502 303531935 531835 a-Alanine, conf. I
9892.9973 0.0002 -8.5915 3 0.2445 15 89502 303 2 1 2 1 1 1 a-Alanine, conf. I
10182.2778 0.0009 -7.7589 3 2.1891 27 89502 303 4 3 1 4 2 2 a-Alanine, conf. I
10201.8003 0.0038 -8.8172 3 7.4833 51 89502 303 8 4 5 8 3 5 a-Alanine, conf. I
10278.7287 1.4935 -8.5422 3 260.9561303 89502 303501833 501733 a-Alanine, conf. I
10292.7508 0.2721 -8.2499 3 84.3409171 89502 303281117 281118 a-Alanine, conf. I
10398.6140 0.8922 -8.2860 3 178.8979249 89502 303411625 411626 a-Alanine, conf. I
10406.9830 2.4409 -8.5028 3 342.7834345 89502 303572235 572236 a-Alanine, conf. I
10496.2352 0.0675 -8.3262 3 35.3011111 89502 30318 711 18 712 a-Alanine, conf. I
10514.3758 0.0002 -8.4231 3 0.1790 15 89502 303 2 0 2 1 0 1 a-Alanine, conf. I
10653.4028 0.1491 -8.2534 3 57.2057141 89502 30323 914 23 915 a-Alanine, conf. I
10685.3611 1.5696 -8.3548 3 254.2733297 89502 303491930 491931 a-Alanine, conf. I
10771.4068 0.0024 -7.2751 3 7.1240 51 89502 303 8 3 5 8 2 6 a-Alanine, conf. I
10791.1509 1.2768 -8.4681 3 230.9652285 89502 303471731 471631 a-Alanine, conf. I
10924.3653 4.3295 -8.7005 3 485.4432411 89502 303682642 682643 a-Alanine, conf. I
11040.4912 0.0134 -8.4836 3 13.2874 69 89502 30311 4 7 11 4 8 a-Alanine, conf. I
11078.0586 0.0009 -7.9856 3 1.4250 21 89502 303 3 3 0 3 2 1 a-Alanine, conf. I
11297.1940 0.0007 -8.5187 3 0.8549 21 89502 303 3 1 2 2 2 1 a-Alanine, conf. I
11312.8548 1.0739 -8.4013 3 202.7942267 89502 303441629 441529 a-Alanine, conf. I
11566.7519 0.0002 -8.4559 3 0.2724 15 89502 303 2 1 1 1 1 0 a-Alanine, conf. I
11569.3276 0.0113 -8.5995 3 13.6557 69 89502 30311 5 7 11 4 7 a-Alanine, conf. I
11579.5740 0.0012 -7.1413 3 9.2152 57 89502 303 9 4 5 9 3 6 a-Alanine, conf. I
11630.1717 0.0005 -7.8019 3 1.7140 27 89502 303 4 2 3 4 1 4 a-Alanine, conf. I
11670.2514 0.6428 -8.1703 3 138.2437219 89502 303361422 361423 a-Alanine, conf. I
11810.7122 0.0008 -7.7166 3 2.5122 33 89502 303 5 1 4 5 0 5 a-Alanine, conf. I
11831.1587 0.8861 -8.3427 3 176.4456249 89502 303411527 411427 a-Alanine, conf. I
11858.2233 0.0003 -7.7938 3 0.1790 15 89502 303 2 1 2 1 0 1 a-Alanine, conf. I
11863.5407 0.0012 -8.7528 3 1.7934 27 89502 303 4 2 2 3 3 1 a-Alanine, conf. I
11939.5353 0.0066 -8.5345 3 8.8170 57 89502 303 9 3 6 9 3 7 a-Alanine, conf. I
12033.6157 3.1776 -8.4508 3 378.9960363 89502 303602337 602338 a-Alanine, conf. I
12038.0985 0.0019 -7.1981 3 7.4833 51 89502 303 8 4 4 8 3 5 a-Alanine, conf. I
12039.3205 0.0008 -7.9397 3 1.3918 21 89502 303 3 3 1 3 2 2 a-Alanine, conf. I
12190.5999 0.0025 -8.6682 3 5.2257 45 89502 303 7 2 5 7 2 6 a-Alanine, conf. I
12248.7857 0.0030 -7.0509 3 11.1199 63 89502 30310 4 6 10 3 7 a-Alanine, conf. I
12302.1490 5.4072 -8.6846 3 528.3097429 89502 303712744 712745 a-Alanine, conf. I
12330.1703 0.7149 -8.2934 3 151.9216231 89502 303381425 381325 a-Alanine, conf. I
12434.6515 1.2494 -8.1838 3 205.3470267 89502 303441727 441728 a-Alanine, conf. I
12548.6808 0.0263 -8.4511 3 21.6690 87 89502 30314 6 9 14 5 9 a-Alanine, conf. I
12553.6631 0.0007 -7.6548 3 2.1019 27 89502 303 4 3 2 4 2 3 a-Alanine, conf. I
12555.3783 2.1091 -8.2787 3 285.6129315 89502 303522032 522033 a-Alanine, conf. I
12581.9873 0.0489 -8.2482 3 27.8082 99 89502 30316 610 16 611 a-Alanine, conf. I
12582.0483 4.3026 -8.7018 3 466.0415405 89502 303672444 672344 a-Alanine, conf. I
12660.5842 0.4210 -8.1018 3 102.7991189 89502 303311219 311220 a-Alanine, conf. I
12790.5220 0.5618 -8.2547 3 129.2245213 89502 303351323 351223 a-Alanine, conf. I
12792.7113 0.0021 -7.3382 3 5.2056 45 89502 303 7 2 5 7 1 6 a-Alanine, conf. I
13052.5494 3.8347 -8.6085 3 425.7409387 89502 303642342 642242 a-Alanine, conf. I
13189.2185 0.4279 -8.2280 3 108.3565195 89502 303321221 321121 a-Alanine, conf. I
13202.3939 0.0520 -8.3489 3 31.5227105 89502 30317 711 17 611 a-Alanine, conf. I
13213.1844 0.0019 -7.2427 3 5.9395 45 89502 303 7 4 3 7 3 4 a-Alanine, conf. I
13235.6050 0.2453 -8.0849 3 72.5728159 89502 303261016 261017 a-Alanine, conf. I
13257.5935 0.1225 -8.1281 3 47.5731129 89502 30321 813 21 814 a-Alanine, conf. I
13473.2576 0.0006 -7.4684 3 2.9808 33 89502 303 5 3 3 5 2 4 a-Alanine, conf. I
13491.0495 0.0048 -7.1028 3 8.7652 57 89502 303 9 3 6 9 2 7 a-Alanine, conf. I
13499.6083 0.3142 -8.2150 3 89.3197177 89502 303291119 291019 a-Alanine, conf. I
13552.3307 0.0008 -8.4537 3 2.5287 33 89502 303 5 2 4 4 3 1 a-Alanine, conf. I
13568.7628 3.3952 -8.5187 3 387.2451369 89502 303612240 612140 a-Alanine, conf. I
13581.6164 0.0913 -8.2804 3 43.2160123 89502 30320 813 20 713 a-Alanine, conf. I
13691.4670 0.2206 -8.2175 3 72.1161159 89502 303261017 26 917 a-Alanine, conf. I
13731.1371 0.1468 -8.2382 3 56.7476141 89502 30323 915 23 815 a-Alanine, conf. I
13760.4169 4.0656 -8.4122 3 417.0182381 89502 303632439 632440 a-Alanine, conf. I
13898.0051 0.0006 -7.6137 3 2.5172 33 89502 303 5 2 4 5 1 5 a-Alanine, conf. I
13968.9143 0.0003 -7.5772 3 0.5745 21 89502 303 3 0 3 2 1 2 a-Alanine, conf. I
14010.1457 0.9215 -8.0567 3 161.6145237 89502 303391524 391525 a-Alanine, conf. I
14125.2189 2.9818 -8.4331 3 350.5569351 89502 303582138 582038 a-Alanine, conf. I
14228.2628 0.0077 -6.9244 3 13.1811 69 89502 30311 4 7 11 3 8 a-Alanine, conf. I
14298.1003 0.0024 -6.8494 3 15.9678 75 89502 30312 5 7 12 4 8 a-Alanine, conf. I
14375.0907 0.0318 -8.2148 3 21.1894 87 89502 30314 5 9 14 510 a-Alanine, conf. I
14542.7393 0.0082 -8.4875 3 11.5285 63 89502 30310 5 6 10 4 6 a-Alanine, conf. I
14547.3187 0.0016 -7.3033 3 4.5962 39 89502 303 6 4 2 6 3 3 a-Alanine, conf. I
14570.9896 2.7751 -8.2172 3 318.7690333 89502 303552134 552135 a-Alanine, conf. I
14619.2989 0.0042 -6.8915 3 13.6557 69 89502 30311 5 6 11 4 7 a-Alanine, conf. I
14657.5233 1.7038 -8.0980 3 233.6182285 89502 303471829 471830 a-Alanine, conf. I
14714.6751 2.5932 -8.3522 3 315.6794333 89502 303552036 551936 a-Alanine, conf. I
14718.4097 0.0003 -7.9999 3 0.5745 21 89502 303 3 1 3 2 1 2 a-Alanine, conf. I
14862.8201 0.0007 -7.3137 3 4.0236 39 89502 303 6 3 4 6 2 5 a-Alanine, conf. I
15270.2815 0.6234 -7.9748 3 123.0858207 89502 303341321 341322 a-Alanine, conf. I
15312.7618 0.0003 -7.9315 3 0.5297 21 89502 303 3 0 3 2 0 2 a-Alanine, conf. I
15315.5209 0.0087 -6.7697 3 18.4469 81 89502 30313 5 8 13 4 9 a-Alanine, conf. I
15319.6255 0.0011 -7.5039 3 3.4713 39 89502 303 6 1 5 6 0 6 a-Alanine, conf. I
15327.7409 2.2292 -8.2770 3 282.6153315 89502 303521934 521834 a-Alanine, conf. I
15570.9451 5.1199 -8.3864 3 456.8471399 89502 303662541 662542 a-Alanine, conf. I
15577.1458 0.0013 -7.4173 3 3.4599 33 89502 303 5 4 1 5 3 2 a-Alanine, conf. I
15675.1776 0.0182 -8.2266 3 15.4449 75 89502 30312 4 8 12 4 9 a-Alanine, conf. I
15762.3579 0.0923 -8.0431 3 38.8129117 89502 30319 712 19 713 a-Alanine, conf. I
15907.5585 0.0051 -6.9101 3 11.5285 63 89502 30310 5 5 10 4 6 a-Alanine, conf. I
15952.5267 1.8904 -8.2081 3 251.3675297 89502 303491832 491732 a-Alanine, conf. I
16062.2572 0.0004 -7.3713 3 0.5297 21 89502 303 3 1 3 2 0 2 a-Alanine, conf. I
16073.0744 0.3808 -7.9406 3 89.7700177 89502 303291118 291119 a-Alanine, conf. I
16094.7806 0.0003 -8.1245 3 0.8549 21 89502 303 3 2 2 2 2 1 a-Alanine, conf. I
16119.7397 0.0208 -8.3107 3 18.9577 81 89502 30313 6 8 13 5 8 a-Alanine, conf. I
16153.6708 0.0012 -7.6638 3 2.5287 27 89502 303 4 4 0 4 3 1 a-Alanine, conf. I
16183.8989 0.0013 -8.2628 3 3.9795 39 89502 303 6 3 4 5 4 1 a-Alanine, conf. I
16198.9814 0.0032 -8.4340 3 6.5836 51 89502 303 8 2 6 8 2 7 a-Alanine, conf. I
16281.5051 0.2047 -7.9596 3 61.6762147 89502 30324 915 24 916 a-Alanine, conf. I
16320.4053 0.0087 -8.2917 3 10.5755 63 89502 30310 3 7 10 3 8 a-Alanine, conf. I
16390.9507 0.0011 -7.6536 3 2.5207 27 89502 303 4 4 1 4 3 2 a-Alanine, conf. I
16423.3325 0.0010 -7.3822 3 3.4302 33 89502 303 5 4 2 5 3 3 a-Alanine, conf. I
16466.9190 0.0029 -7.1435 3 6.5747 51 89502 303 8 2 6 8 1 7 a-Alanine, conf. I
16496.3568 0.0009 -7.4514 3 3.4733 39 89502 303 6 2 5 6 1 6 a-Alanine, conf. I
16560.8546 1.2806 -7.9605 3 186.8103255 89502 303421626 421627 a-Alanine, conf. I
16574.3466 1.5778 -8.1464 3 221.9386279 89502 303461730 461630 a-Alanine, conf. I
16644.4545 0.0010 -7.2207 3 4.5193 39 89502 303 6 4 3 6 3 4 a-Alanine, conf. I
16717.1700 3.5827 -8.1694 3 353.7391351 89502 303582236 582237 a-Alanine, conf. I
16728.6755 0.0009 -7.1740 3 5.2257 45 89502 303 7 3 5 7 2 6 a-Alanine, conf. I
16876.6470 0.0004 -8.0804 3 0.8621 21 89502 303 3 2 1 2 2 0 a-Alanine, conf. I
16898.2246 0.0011 -8.2087 3 3.4599 39 89502 303 6 2 5 5 3 2 a-Alanine, conf. I
17012.1604 0.0059 -6.6222 3 24.5603 93 89502 30315 6 9 15 510 a-Alanine, conf. I
17053.9723 2.2692 -8.0273 3 263.7095303 89502 303501931 501932 a-Alanine, conf. I
17071.5937 0.0053 -8.4191 3 9.6015 57 89502 303 9 5 5 9 4 5 a-Alanine, conf. I
17084.4545 0.0075 -6.6595 3 21.6690 87 89502 30314 6 8 14 5 9 a-Alanine, conf. I
17090.0452 0.0074 -6.9291 3 10.5498 63 89502 30310 3 7 10 2 8 a-Alanine, conf. I
17175.5012 1.2930 -8.0928 3 194.3313261 89502 303431628 431528 a-Alanine, conf. I
17184.7504 0.0010 -7.0960 3 5.7837 45 89502 303 7 4 4 7 3 5 a-Alanine, conf. I
17192.8962 0.0003 -7.8668 3 0.6582 21 89502 303 3 1 2 2 1 1 a-Alanine, conf. I
17305.5836 0.0441 -8.1860 3 28.2279 99 89502 30316 710 16 610 a-Alanine, conf. I
17421.6327 0.0135 -6.7773 3 15.3866 75 89502 30312 4 8 12 3 9 a-Alanine, conf. I
17446.1428 6.3546 -8.3727 3 498.4796417 89502 303692643 692644 a-Alanine, conf. I
17462.4540 0.0005 -7.4580 3 0.2724 15 89502 303 2 2 1 1 1 0 a-Alanine, conf. I
17554.2570 0.0019 -8.2368 3 5.7714 45 89502 303 7 4 4 6 5 1 a-Alanine, conf. I
17584.9623 0.0042 -6.9259 3 9.6015 57 89502 303 9 5 4 9 4 5 a-Alanine, conf. I
17735.1723 1.0373 -8.0481 3 168.5481243 89502 303401526 401426 a-Alanine, conf. I
17770.2092 0.0191 -6.6560 3 21.0762 87 89502 30314 5 9 14 410 a-Alanine, conf. I
17785.2923 0.0007 -7.6775 3 1.3918 27 89502 303 4 1 3 3 2 2 a-Alanine, conf. I
17938.5211 0.0636 -7.9948 3 30.9243105 89502 30317 611 17 612 a-Alanine, conf. I
18108.2139 0.8893 -7.8663 3 145.1997225 89502 303371423 371424 a-Alanine, conf. I
18149.2538 0.0819 -8.0981 3 39.3387117 89502 30319 812 19 712 a-Alanine, conf. I
18152.8964 0.0012 -6.9854 3 7.2181 51 89502 303 8 4 5 8 3 6 a-Alanine, conf. I
18229.4443 0.8120 -8.0134 3 144.5917225 89502 303371424 371324 a-Alanine, conf. I
18261.3654 0.0023 -8.1964 3 5.7711 45 89502 303 7 4 3 6 5 2 a-Alanine, conf. I
18365.6496 0.0113 -6.6672 3 18.9577 81 89502 30313 6 7 13 5 8 a-Alanine, conf. I
18411.0956 0.0025 -8.2523 3 7.9019 51 89502 303 8 5 4 7 6 1 a-Alanine, conf. I
18459.4778 0.0208 -6.5468 3 27.6121 99 89502 30316 610 16 511 a-Alanine, conf. I
18514.8182 0.0005 -7.4946 3 0.2445 15 89502 303 2 2 0 1 1 1 a-Alanine, conf. I
18532.2584 0.0020 -8.0987 3 3.9780 39 89502 303 6 3 3 5 4 2 a-Alanine, conf. I
18570.9765 0.0027 -8.2441 3 7.9019 51 89502 303 8 5 3 7 6 2 a-Alanine, conf. I
18631.4580 0.6178 -7.9899 3 122.4643207 89502 303341322 341222 a-Alanine, conf. I
18693.4091 0.1383 -8.0382 3 52.2895135 89502 30322 914 22 814 a-Alanine, conf. I
18740.5903 0.0014 -7.3328 3 4.5805 45 89502 303 7 1 6 7 0 7 a-Alanine, conf. I
18871.4860 0.0019 -8.2061 3 4.5962 45 89502 303 7 2 6 6 3 3 a-Alanine, conf. I
18908.1888 0.0014 -7.9119 3 2.5207 33 89502 303 5 2 3 4 3 2 a-Alanine, conf. I
18911.6809 0.4546 -7.9788 3 102.1683189 89502 303311220 311120 a-Alanine, conf. I
18975.7818 4.5467 -8.1345 3 390.5207369 89502 303612338 612339 a-Alanine, conf. I
18977.3408 0.2171 -8.0006 3 67.0790153 89502 303251016 25 916 a-Alanine, conf. I
19019.2921 0.0014 -7.0450 3 6.5836 51 89502 303 8 3 6 8 2 7 a-Alanine, conf. I
19038.2526 0.3217 -7.9817 3 83.7059171 89502 303281118 281018 a-Alanine, conf. I
19082.9242 0.0028 -6.9604 3 7.8848 51 89502 303 8 5 3 8 4 4 a-Alanine, conf. I
19088.4574 0.0004 -7.0986 3 1.0655 27 89502 303 4 0 4 3 1 3 a-Alanine, conf. I
19126.5160 0.0032 -8.2741 3 10.3706 57 89502 303 9 6 4 8 7 1 a-Alanine, conf. I
19149.8417 0.5641 -7.8168 3 108.7965195 89502 303321220 321221 a-Alanine, conf. I
19156.8436 0.0033 -8.2726 3 10.3706 57 89502 303 9 6 3 8 7 2 a-Alanine, conf. I
19185.3366 0.1583 -7.8694 3 51.6495135 89502 30322 814 22 815 a-Alanine, conf. I
19258.6747 5.5234 -8.3656 3 453.1985399 89502 303662443 662343 a-Alanine, conf. I
19287.2298 0.0012 -8.3300 3 6.5747 51 89502 303 8 3 6 8 1 7 a-Alanine, conf. I
19307.0967 1.7322 -7.8799 3 213.8294273 89502 303451728 451729 a-Alanine, conf. I
19309.7541 0.0036 -8.3648 3 5.9395 51 89502 303 8 2 7 7 3 4 a-Alanine, conf. I
19320.3943 0.0146 -8.2105 3 16.4447 75 89502 30312 6 7 12 5 7 a-Alanine, conf. I
19320.9555 0.0013 -7.3096 3 4.5812 45 89502 303 7 2 6 7 1 7 a-Alanine, conf. I
19441.7655 0.0004 -7.6135 3 1.0655 27 89502 303 4 1 4 3 1 3 a-Alanine, conf. I
19500.5789 0.0106 -6.4750 3 31.5227105 89502 30317 710 17 611 a-Alanine, conf. I
19549.7852 0.3209 -7.8153 3 77.6100165 89502 303271017 271018 a-Alanine, conf. I
19584.1430 0.0397 -7.9824 3 23.9070 93 89502 30315 510 15 511 a-Alanine, conf. I
19607.1904 2.9592 -7.9705 3 295.6189321 89502 303532033 532034 a-Alanine, conf. I
19607.7166 0.0019 -6.8801 3 8.8170 57 89502 303 9 4 6 9 3 7 a-Alanine, conf. I
19773.0838 0.0150 -6.4379 3 34.9917111 89502 30318 711 18 612 a-Alanine, conf. I
19823.7990 0.0042 -8.2941 3 13.1773 63 89502 30310 7 4 9 8 1 a-Alanine, conf. I
19828.9187 0.0043 -8.2939 3 13.1773 63 89502 30310 7 3 9 8 2 a-Alanine, conf. I
19837.9528 0.0004 -7.5865 3 1.0405 27 89502 303 4 0 4 3 0 3 a-Alanine, conf. I
19854.0131 4.8476 -8.2805 3 413.4570381 89502 303632341 632241 a-Alanine, conf. I
20090.8243 0.0036 -8.2425 3 8.0950 57 89502 303 9 2 7 9 2 8 a-Alanine, conf. I
20107.2530 0.0018 -7.0344 3 6.3803 45 89502 303 7 5 2 7 4 3 a-Alanine, conf. I
20191.2609 0.0005 -7.0280 3 1.0405 27 89502 303 4 1 4 3 0 3 a-Alanine, conf. I
20202.6933 0.0034 -6.9770 3 8.0913 57 89502 303 9 2 7 9 1 8 a-Alanine, conf. I
20286.2375 0.0107 -6.6629 3 16.4447 75 89502 30312 6 6 12 5 7 a-Alanine, conf. I
20488.7036 4.2189 -8.1997 3 375.5212363 89502 303602239 602139 a-Alanine, conf. I
20528.6382 0.0056 -8.3115 3 16.3220 69 89502 30311 8 4 10 9 1 a-Alanine, conf. I
20529.4322 0.0056 -8.3115 3 16.3220 69 89502 30311 8 3 10 9 2 a-Alanine, conf. I
20542.4610 0.0219 -8.0098 3 17.7617 81 89502 30313 4 9 13 410 a-Alanine, conf. I
20662.7600 0.0206 -6.4791 3 28.2279 99 89502 30316 7 9 16 610 a-Alanine, conf. I
20683.3362 0.0015 -7.1708 3 5.0814 39 89502 303 6 5 1 6 4 2 a-Alanine, conf. I
20717.7890 0.0101 -8.0881 3 12.4900 69 89502 30311 3 8 11 3 9 a-Alanine, conf. I
20760.2640 0.0015 -6.9025 3 7.8236 51 89502 303 8 5 4 8 4 5 a-Alanine, conf. I
20769.0136 0.0014 -7.0110 3 6.3569 45 89502 303 7 5 3 7 4 4 a-Alanine, conf. I
20884.2897 0.0014 -7.1636 3 5.0745 39 89502 303 6 5 2 6 4 3 a-Alanine, conf. I
20971.4895 0.0015 -7.4354 3 3.9795 33 89502 303 5 5 0 5 4 1 a-Alanine, conf. I
20982.9864 0.0015 -6.8136 3 9.4710 57 89502 303 9 5 5 9 4 6 a-Alanine, conf. I
21014.4702 0.0015 -7.4339 3 3.9780 33 89502 303 5 5 1 5 4 2 a-Alanine, conf. I
21052.8428 0.0013 -7.8541 3 5.0814 45 89502 303 7 3 5 6 4 2 a-Alanine, conf. I
21071.1340 0.0093 -6.7684 3 12.4782 69 89502 30311 3 8 11 2 9 a-Alanine, conf. I
21142.0495 0.0334 -8.0632 3 25.1277 93 89502 30315 7 9 15 6 9 a-Alanine, conf. I
21150.8827 3.6356 -8.1238 3 339.3943345 89502 303572137 572037 a-Alanine, conf. I
21156.9821 1.2286 -7.7743 3 169.1397243 89502 303401525 401526 a-Alanine, conf. I
21159.2308 0.0015 -8.2706 3 8.7652 57 89502 303 9 4 6 9 2 7 a-Alanine, conf. I
21289.2188 0.0004 -7.6302 3 1.3918 27 89502 303 4 2 3 3 2 2 a-Alanine, conf. I
21326.0148 5.6809 -8.1117 3 429.1109387 89502 303642440 642441 a-Alanine, conf. I
21417.6589 0.0186 -6.6277 3 17.7325 81 89502 30313 4 9 13 310 a-Alanine, conf. I
21421.8702 0.0400 -6.4406 3 30.8081105 89502 30317 611 17 512 a-Alanine, conf. I
21436.2233 0.0300 -6.5243 3 23.8452 93 89502 30315 510 15 411 a-Alanine, conf. I
21545.6092 0.0030 -6.7775 3 10.5755 63 89502 30310 4 7 10 3 8 a-Alanine, conf. I
21566.3210 0.0019 -6.7323 3 11.2942 63 89502 30310 5 6 10 4 7 a-Alanine, conf. I
21642.3385 0.0019 -6.9259 3 8.0950 57 89502 303 9 3 7 9 2 8 a-Alanine, conf. I
21708.9806 0.1133 -7.8107 3 42.4918123 89502 30320 713 20 714 a-Alanine, conf. I
21711.5035 0.0433 -6.3639 3 38.6145117 89502 30319 712 19 613 a-Alanine, conf. I
21754.2075 0.0018 -8.1887 3 8.0913 57 89502 303 9 3 7 9 1 8 a-Alanine, conf. I
21803.5614 0.0004 -7.8395 3 1.7934 27 89502 303 4 3 2 3 3 1 a-Alanine, conf. I
21826.3669 3.0970 -8.0536 3 305.0793327 89502 303542035 541935 a-Alanine, conf. I
21841.3983 0.0091 -8.1481 3 14.1433 69 89502 30311 6 6 11 5 6 a-Alanine, conf. I
21920.0267 0.0122 -6.3239 3 43.2160123 89502 30320 812 20 713 a-Alanine, conf. I
21990.4828 0.0006 -7.2129 3 0.6582 21 89502 303 3 2 2 2 1 1 a-Alanine, conf. I
22009.7407 0.0005 -7.8311 3 1.7946 27 89502 303 4 3 1 3 3 0 a-Alanine, conf. I
22020.0626 0.0020 -7.1945 3 5.8402 51 89502 303 8 1 7 8 0 8 a-Alanine, conf. I
22200.7267 0.0077 -6.6651 3 14.1433 69 89502 30311 6 5 11 5 6 a-Alanine, conf. I
22230.1682 2.2878 -7.8136 3 242.6699291 89502 303481830 481831 a-Alanine, conf. I
22280.1519 0.0020 -7.1853 3 5.8405 51 89502 303 8 2 7 8 1 8 a-Alanine, conf. I
22297.3154 3.7870 -7.9267 3 329.3439339 89502 303562135 562136 a-Alanine, conf. I
22315.2491 0.0020 -8.1180 3 10.5498 63 89502 30310 4 7 10 2 8 a-Alanine, conf. I
22446.4197 0.8034 -7.7109 3 129.6512213 89502 303351322 351323 a-Alanine, conf. I
22498.4504 2.6034 -7.9896 3 272.5795309 89502 303511933 511833 a-Alanine, conf. I
22579.1903 0.0660 -7.9572 3 35.6513111 89502 30318 811 18 711 a-Alanine, conf. I
22582.8789 0.0004 -7.4903 3 1.2317 27 89502 303 4 1 3 3 1 2 a-Alanine, conf. I
22609.8188 0.0030 -6.6525 3 13.2874 69 89502 30311 5 7 11 4 8 a-Alanine, conf. I
22618.1951 0.0341 -6.2847 3 47.2608129 89502 30321 813 21 714 a-Alanine, conf. I
22723.8220 0.0224 -6.4648 3 25.1277 93 89502 30315 7 8 15 6 9 a-Alanine, conf. I
22827.9841 0.2523 -7.7212 3 66.3176153 89502 30325 916 25 917 a-Alanine, conf. I
22859.9879 0.0324 -6.3282 3 39.3387117 89502 30319 811 19 712 a-Alanine, conf. I
22905.5214 0.0005 -7.5585 3 1.4250 27 89502 303 4 2 2 3 2 1 a-Alanine, conf. I
22987.8225 0.0005 -8.1955 3 0.6582 21 89502 303 3 2 1 2 1 1 a-Alanine, conf. I
23040.9660 0.4778 -7.6914 3 95.3739183 89502 303301119 301120 a-Alanine, conf. I
23147.7987 2.1552 -7.9325 3 241.8978291 89502 303481831 481731 a-Alanine, conf. I
23161.5052 0.0022 -7.7698 3 7.0510 51 89502 303 8 4 5 7 5 2 a-Alanine, conf. I
23562.8323 0.0052 -8.1273 3 12.0591 63 89502 30310 6 5 10 5 5 a-Alanine, conf. I
23648.6460 0.0745 -7.7821 3 34.2029111 89502 30318 612 18 613 a-Alanine, conf. I
23668.1872 0.1172 -7.8814 3 48.0153129 89502 30321 913 21 813 a-Alanine, conf. I
23677.1130 0.0048 -6.6893 3 12.0591 63 89502 30310 6 4 10 5 5 a-Alanine, conf. I
23723.1416 0.0038 -8.0894 3 9.7585 63 89502 30310 2 8 10 2 9 a-Alanine, conf. I
23744.8548 6.9985 -8.1004 3 469.5070405 89502 303672542 672543 a-Alanine, conf. I
23752.4531 1.7534 -7.8830 3 213.0371273 89502 303451729 451629 a-Alanine, conf. I
23767.7528 0.0037 -6.8405 3 9.7570 63 89502 30310 2 8 10 1 9 a-Alanine, conf. I
23905.5606 0.0045 -6.6781 3 12.4900 69 89502 30311 4 8 11 3 9 a-Alanine, conf. I
23931.7147 0.0005 -6.7659 3 1.7140 33 89502 303 5 0 5 4 1 4 a-Alanine, conf. I
24080.4175 0.0005 -7.3235 3 1.7140 33 89502 303 5 1 5 4 1 4 a-Alanine, conf. I
24112.2551 0.0008 -7.1203 3 2.1019 33 89502 303 5 1 4 4 2 3 a-Alanine, conf. I
24158.4954 0.0051 -6.5716 3 15.4449 75 89502 30312 5 8 12 4 9 a-Alanine, conf. I
24258.9057 0.0037 -7.9868 3 12.4782 69 89502 30311 4 8 11 2 9 a-Alanine, conf. I
24262.3937 0.0032 -7.7703 3 9.3616 57 89502 303 9 5 5 8 6 2 a-Alanine, conf. I
24285.0228 0.0006 -7.3138 3 1.7022 33 89502 303 5 0 5 4 0 4 a-Alanine, conf. I
24287.9566 1.3984 -7.8420 3 186.0001255 89502 303421627 421527 a-Alanine, conf. I
24331.3585 0.0226 -7.9751 3 22.2388 87 89502 30314 7 8 14 6 8 a-Alanine, conf. I
24384.5399 0.0153 -6.1976 3 56.7476141 89502 30323 914 23 815 a-Alanine, conf. I
24396.0055 1.6512 -7.6972 3 194.9042261 89502 303431627 431628 a-Alanine, conf. I
24433.7256 0.0006 -6.7426 3 1.7022 33 89502 303 5 1 5 4 0 4 a-Alanine, conf. I
24442.6638 0.1922 -7.8292 3 62.2193147 89502 303241015 24 915 a-Alanine, conf. I
24492.7815 0.0026 -6.8171 3 9.7585 63 89502 30310 3 8 10 2 9 a-Alanine, conf. I
24537.3928 0.0026 -8.0649 3 9.7570 63 89502 30310 3 8 10 1 9 a-Alanine, conf. I
24600.1871 0.0030 -8.1495 3 10.1880 57 89502 303 9 6 4 9 5 4 a-Alanine, conf. I
24630.3957 0.0029 -6.7451 3 10.1880 57 89502 303 9 6 3 9 5 4 a-Alanine, conf. I
24727.5962 1.0902 -7.8101 3 160.7897237 89502 303391525 391425 a-Alanine, conf. I
24782.0466 0.0041 -7.7491 3 9.3614 57 89502 303 9 5 4 8 6 3 a-Alanine, conf. I
24843.5066 0.0107 -7.9225 3 14.5579 75 89502 30312 3 9 12 310 a-Alanine, conf. I
24854.3202 0.0445 -7.7861 3 26.7831 99 89502 30316 511 16 512 a-Alanine, conf. I
24891.3696 0.0027 -6.5855 3 14.0416 69 89502 30311 6 6 11 5 7 a-Alanine, conf. I
24927.6516 0.0025 -6.6515 3 12.0136 63 89502 30310 6 5 10 5 6 a-Alanine, conf. I
24935.1959 0.2963 -7.7965 3 78.2621165 89502 303271117 271017 a-Alanine, conf. I
24957.8308 0.0403 -6.3093 3 35.6513111 89502 30318 810 18 711 a-Alanine, conf. I
24991.1891 0.0182 -6.4493 3 22.2388 87 89502 30314 7 7 14 6 8 a-Alanine, conf. I
24996.8323 0.0102 -6.6306 3 14.5528 75 89502 30312 3 9 12 210 a-Alanine, conf. I
25004.2207 0.0041 -7.7916 3 12.0110 63 89502 30310 6 5 9 7 2 a-Alanine, conf. I
25008.8935 0.0445 -6.2044 3 52.2895135 89502 30322 913 22 814 a-Alanine, conf. I
25036.4810 0.0039 -7.6811 3 7.0497 51 89502 303 8 4 4 7 5 3 a-Alanine, conf. I
25041.9323 0.0022 -8.0850 3 12.0136 63 89502 30310 6 4 10 5 6 a-Alanine, conf. I
25042.7465 0.8281 -7.7885 3 137.4084219 89502 303361423 361323 a-Alanine, conf. I
25089.5956 0.0809 -6.2107 3 51.4526135 89502 30322 814 22 715 a-Alanine, conf. I
25101.9710 4.7651 -7.8950 3 364.8823357 89502 303592237 592238 a-Alanine, conf. I
25113.5558 0.0021 -6.7304 3 10.1709 57 89502 303 9 6 4 9 5 5 a-Alanine, conf. I
25115.8618 0.0017 -7.6383 3 6.3803 51 89502 303 8 3 6 7 4 3 a-Alanine, conf. I
25119.4316 0.0044 -7.7872 3 12.0110 63 89502 30310 6 4 9 7 3 a-Alanine, conf. I
25135.1769 0.0029 -6.5248 3 16.2507 75 89502 30312 6 7 12 5 8 a-Alanine, conf. I
25143.7643 0.0020 -8.1336 3 10.1709 57 89502 303 9 6 3 9 5 5 a-Alanine, conf. I
25178.0355 0.4342 -7.7802 3 96.1425183 89502 303301219 301119 a-Alanine, conf. I
25189.9135 0.0020 -6.8386 3 8.5214 51 89502 303 8 6 2 8 5 3 a-Alanine, conf. I
25192.8930 0.0744 -6.2628 3 42.3756123 89502 30320 713 20 614 a-Alanine, conf. I
25200.0858 0.0030 -7.0792 3 7.2507 57 89502 303 9 1 8 9 0 9 a-Alanine, conf. I
25203.2845 0.6103 -7.7780 3 115.8585201 89502 303331321 331221 a-Alanine, conf. I
25249.2901 0.0236 -7.8291 3 20.2340 87 89502 30314 410 14 411 a-Alanine, conf. I
25250.6980 0.0024 -8.0549 3 14.0416 69 89502 30311 6 5 11 5 7 a-Alanine, conf. I
25308.5316 2.9587 -7.7605 3 273.3300309 89502 303511932 511933 a-Alanine, conf. I
25309.1934 0.0030 -7.0758 3 7.2508 57 89502 303 9 2 8 9 1 9 a-Alanine, conf. I
25342.5876 0.0018 -6.8340 3 8.5161 51 89502 303 8 6 3 8 5 4 a-Alanine, conf. I
25498.4679 0.0005 -7.3601 3 0.5745 21 89502 303 3 2 1 2 1 2 a-Alanine, conf. I
25510.6736 0.0018 -6.9869 3 7.0510 45 89502 303 7 6 1 7 5 2 a-Alanine, conf. I
25540.9843 0.0575 -6.3198 3 34.1397111 89502 30318 612 18 513 a-Alanine, conf. I
25548.4287 0.0018 -6.9858 3 7.0497 45 89502 303 7 6 2 7 5 3 a-Alanine, conf. I
25573.9950 0.0682 -6.1552 3 61.3662147 89502 30324 915 24 816 a-Alanine, conf. I
25659.3213 0.0216 -6.4898 3 20.2203 87 89502 30314 410 14 311 a-Alanine, conf. I
25661.3077 0.1850 -7.6546 3 55.8917141 89502 30323 815 23 816 a-Alanine, conf. I
25667.9473 0.0051 -7.8151 3 14.9987 69 89502 30311 7 5 10 8 2 a-Alanine, conf. I
25690.0744 0.0052 -7.8143 3 14.9987 69 89502 30311 7 4 10 8 3 a-Alanine, conf. I
25696.8288 0.0019 -7.2587 3 5.7714 39 89502 303 6 6 0 6 5 1 a-Alanine, conf. I
25703.4268 0.0019 -7.2585 3 5.7711 39 89502 303 6 6 1 6 5 2 a-Alanine, conf. I
25783.5952 0.0039 -6.4645 3 18.6354 81 89502 30313 6 8 13 5 9 a-Alanine, conf. I
25788.5597 0.0381 -6.3915 3 26.7519 99 89502 30316 511 16 412 a-Alanine, conf. I
25797.5904 0.0047 -8.1108 3 13.1811 69 89502 30311 5 7 11 3 8 a-Alanine, conf. I
25904.9504 0.0030 -7.9674 3 15.3866 75 89502 30312 5 8 12 3 9 a-Alanine, conf. I
25932.4707 0.0032 -7.5451 3 5.0745 45 89502 303 7 3 4 6 4 3 a-Alanine, conf. I
25940.4071 1.1066 -7.6208 3 152.3329231 89502 303381424 381425 a-Alanine, conf. I
26086.8053 0.0007 -6.9913 3 1.2317 27 89502 303 4 2 3 3 1 2 a-Alanine, conf. I
26101.0201 0.0050 -8.0377 3 16.2507 75 89502 30312 6 6 12 5 8 a-Alanine, conf. I
26171.8228 0.0018 -7.3278 3 3.4302 39 89502 303 6 2 4 5 3 3 a-Alanine, conf. I
26194.1265 0.0078 -6.4898 3 17.7617 81 89502 30313 5 9 13 410 a-Alanine, conf. I
26207.5523 8.5119 -8.1001 3 511.7056423 89502 303702644 702645 a-Alanine, conf. I
26334.7511 0.0063 -7.8369 3 18.3244 75 89502 30312 8 5 11 9 2 a-Alanine, conf. I
26338.5894 0.0063 -7.8368 3 18.3244 75 89502 30312 8 4 11 9 3 a-Alanine, conf. I
26348.2510 0.0005 -7.3035 3 2.1019 33 89502 303 5 2 4 4 2 3 a-Alanine, conf. I
26426.8597 0.0476 -7.8497 3 32.1731105 89502 30317 810 17 710 a-Alanine, conf. I
26589.9616 0.0061 -6.5835 3 14.5579 75 89502 30312 4 9 12 310 a-Alanine, conf. I
26664.1824 0.0137 -7.9232 3 19.5704 81 89502 30313 7 7 13 6 7 a-Alanine, conf. I
26664.8021 0.3795 -7.5940 3 82.8165171 89502 303281018 281019 a-Alanine, conf. I
26730.9068 0.6818 -7.5852 3 114.9669201 89502 303331221 331222 a-Alanine, conf. I
26743.2873 0.0056 -7.8705 3 14.5528 75 89502 30312 4 9 12 210 a-Alanine, conf. I
26907.7589 0.0122 -6.4477 3 19.5704 81 89502 30313 7 6 13 6 7 a-Alanine, conf. I
26923.7715 0.0068 -6.4016 3 21.1894 87 89502 30314 6 9 14 510 a-Alanine, conf. I
26927.0720 0.0327 -6.0907 3 72.1161159 89502 303261016 26 917 a-Alanine, conf. I
27017.2774 0.0079 -7.8568 3 21.9881 81 89502 30313 9 5 1210 2 a-Alanine, conf. I
27017.8935 0.0079 -7.8568 3 21.9881 81 89502 30313 9 4 1210 3 a-Alanine, conf. I
27041.0724 0.0646 -6.1844 3 48.0153129 89502 30321 912 21 813 a-Alanine, conf. I
27069.3244 0.0051 -7.8441 3 17.7325 81 89502 30313 5 9 13 310 a-Alanine, conf. I
27125.4420 0.0042 -7.9657 3 11.5734 69 89502 30311 2 9 11 210 a-Alanine, conf. I
27142.6249 0.0041 -6.7284 3 11.5728 69 89502 30311 2 9 11 110 a-Alanine, conf. I
27153.4811 0.0538 -6.1015 3 67.0790153 89502 303251015 25 916 a-Alanine, conf. I
27267.8455 0.0005 -7.3859 3 2.5207 33 89502 303 5 3 3 4 3 2 a-Alanine, conf. I
27300.2272 0.0006 -7.6342 3 3.0674 33 89502 303 5 4 2 4 4 1 a-Alanine, conf. I
27338.8501 0.0006 -7.6329 3 3.0676 33 89502 303 5 4 1 4 4 0 a-Alanine, conf. I
27478.7871 0.0035 -6.7185 3 11.5734 69 89502 30311 3 9 11 210 a-Alanine, conf. I
27495.9699 0.0035 -7.9554 3 11.5728 69 89502 30311 3 9 11 110 a-Alanine, conf. I
27503.8488 0.0362 -6.2834 3 32.1731105 89502 30317 8 9 17 710 a-Alanine, conf. I
27616.1816 0.0005 -7.2199 3 1.9850 33 89502 303 5 1 4 4 1 3 a-Alanine, conf. I
27713.0648 0.0099 -7.8751 3 25.9898 87 89502 3031410 5 1311 2 a-Alanine, conf. I
27713.1579 0.0099 -7.8750 3 25.9898 87 89502 3031410 4 1311 3 a-Alanine, conf. I
27802.1585 2.1662 -7.6336 3 222.4914279 89502 303461729 461730 a-Alanine, conf. I
27845.9756 0.1259 -7.6146 3 46.3320129 89502 30321 714 21 715 a-Alanine, conf. I
27915.3751 0.0007 -7.3642 3 2.5287 33 89502 303 5 3 2 4 3 1 a-Alanine, conf. I
27918.6278 0.0008 -6.8502 3 0.8621 21 89502 303 3 3 1 2 2 0 a-Alanine, conf. I
27944.5283 0.0033 -7.5868 3 7.8848 57 89502 303 9 3 7 8 4 4 a-Alanine, conf. I
27954.7056 0.0008 -7.9777 3 0.8621 21 89502 303 3 3 0 2 2 0 a-Alanine, conf. I
27996.8122 5.9055 -7.8748 3 402.2312375 89502 303622339 622340 a-Alanine, conf. I
28029.5051 0.0125 -8.0312 3 18.6354 81 89502 30313 6 7 13 5 9 a-Alanine, conf. I
28134.1011 0.0008 -7.9768 3 0.8549 21 89502 303 3 3 1 2 2 1 a-Alanine, conf. I
28154.8143 0.0893 -7.7580 3 43.9472123 89502 30320 912 20 812 a-Alanine, conf. I
28170.1789 0.0008 -6.8484 3 0.8549 21 89502 303 3 3 0 2 2 1 a-Alanine, conf. I
28184.1596 0.0080 -7.9076 3 17.1214 75 89502 30312 7 6 12 6 6 a-Alanine, conf. I
28263.0571 0.0075 -6.4687 3 17.1214 75 89502 30312 7 5 12 6 6 a-Alanine, conf. I
28326.2238 0.0043 -6.9800 3 8.8122 63 89502 30310 1 9 10 010 a-Alanine, conf. I
28369.8825 0.0043 -6.9788 3 8.8122 63 89502 30310 2 9 10 110 a-Alanine, conf. I
28407.4811 5.5681 -8.0051 3 401.2837375 89502 303622340 622240 a-Alanine, conf. I
28418.3827 0.0124 -7.8921 3 30.3293 93 89502 3031511 5 1412 2 a-Alanine, conf. I
28418.3961 0.0124 -7.8921 3 30.3293 93 89502 3031511 4 1412 3 a-Alanine, conf. I
28469.3207 0.0025 -7.4533 3 8.5214 57 89502 303 9 4 6 8 5 3 a-Alanine, conf. I
28518.4256 3.7555 -7.7195 3 305.8074327 89502 303542034 542035 a-Alanine, conf. I
28584.4576 0.0112 -6.3355 3 23.9070 93 89502 30315 610 15 511 a-Alanine, conf. I
28601.7024 0.1387 -6.0809 3 66.1250153 89502 30325 916 25 817 a-Alanine, conf. I
28604.6753 0.0006 -6.5114 3 2.5172 39 89502 303 6 0 6 5 1 5 a-Alanine, conf. I
28617.8011 0.0108 -7.7902 3 16.7779 81 89502 30313 310 13 311 a-Alanine, conf. I
28644.4087 0.0110 -6.4085 3 20.2340 87 89502 30314 510 14 411 a-Alanine, conf. I
28657.7803 0.1238 -6.0449 3 77.3062165 89502 303271017 27 918 a-Alanine, conf. I
28662.9173 0.0006 -7.0903 3 2.5172 39 89502 303 6 1 6 5 1 5 a-Alanine, conf. I
28681.5685 0.0106 -6.5170 3 16.7757 81 89502 30313 310 13 211 a-Alanine, conf. I
28700.4477 0.0005 -7.8966 3 1.2317 27 89502 303 4 2 2 3 1 2 a-Alanine, conf. I
28753.3781 0.0007 -7.0869 3 2.5122 39 89502 303 6 0 6 5 0 5 a-Alanine, conf. I
28811.6202 0.0007 -6.5038 3 2.5122 39 89502 303 6 1 6 5 0 5 a-Alanine, conf. I
28825.9213 0.0121 -7.8656 3 11.5285 69 89502 30311 3 9 10 4 6 a-Alanine, conf. I
28848.2095 0.0007 -7.2135 3 2.1891 33 89502 303 5 2 3 4 2 2 a-Alanine, conf. I
28867.1322 0.0050 -6.3488 3 22.0875 87 89502 30314 7 8 14 6 9 a-Alanine, conf. I
28910.0923 0.0050 -6.3946 3 19.4954 81 89502 30313 7 7 13 6 8 a-Alanine, conf. I
29021.2894 0.0942 -6.0826 3 62.2193147 89502 303241014 24 915 a-Alanine, conf. I
29052.5144 4.7558 -7.9334 3 363.9132357 89502 303592238 592138 a-Alanine, conf. I
29054.4398 0.0091 -7.7344 3 20.2203 87 89502 30314 510 14 311 a-Alanine, conf. I
29082.7490 0.1263 -6.1137 3 55.7775141 89502 30323 815 23 716 a-Alanine, conf. I
29109.5946 0.0047 -7.9246 3 14.8839 69 89502 30311 7 5 11 6 5 a-Alanine, conf. I
29130.4570 0.0156 -7.9084 3 35.0068 99 89502 3031612 5 1513 2 a-Alanine, conf. I
29130.4588 0.0156 -7.9084 3 35.0068 99 89502 3031612 4 1513 3 a-Alanine, conf. I
29131.5931 0.0046 -6.5142 3 14.8839 69 89502 30311 7 4 11 6 5 a-Alanine, conf. I
29150.0029 0.0044 -6.4450 3 17.0892 75 89502 30312 7 6 12 6 7 a-Alanine, conf. I
29153.6688 0.0041 -7.8611 3 19.4954 81 89502 30313 7 6 13 6 8 a-Alanine, conf. I
29153.8953 0.0052 -6.3035 3 24.8605 93 89502 30315 7 9 15 610 a-Alanine, conf. I
29201.4530 0.0068 -7.6769 3 9.6015 63 89502 30310 3 8 9 4 5 a-Alanine, conf. I
29228.9004 0.0041 -7.8810 3 17.0892 75 89502 30312 7 5 12 6 7 a-Alanine, conf. I
29242.9690 0.0791 -7.6030 3 37.6390117 89502 30319 613 19 614 a-Alanine, conf. I
29331.0035 0.0563 -6.0152 3 83.7059171 89502 303281117 281018 a-Alanine, conf. I
29395.7874 0.0310 -7.7756 3 28.9171 99 89502 30316 8 9 16 7 9 a-Alanine, conf. I
29468.9230 0.0035 -6.5052 3 14.8719 69 89502 30311 7 5 11 6 6 a-Alanine, conf. I
29490.9215 0.0034 -7.9148 3 14.8719 69 89502 30311 7 4 11 6 6 a-Alanine, conf. I
29492.9990 0.0076 -6.4949 3 16.7779 81 89502 30313 410 13 311 a-Alanine, conf. I
29526.9628 0.0051 -7.8511 3 22.0875 87 89502 30314 7 7 14 6 9 a-Alanine, conf. I
29539.8333 0.1537 -7.6921 3 57.5610141 89502 303231014 23 914 a-Alanine, conf. I
29554.1499 0.0237 -7.6833 3 22.8594 93 89502 30315 411 15 412 a-Alanine, conf. I
29556.7664 0.0074 -7.7662 3 16.7757 81 89502 30313 410 13 211 a-Alanine, conf. I
29572.6828 0.0728 -5.9998 3 89.3197177 89502 303291118 291019 a-Alanine, conf. I
29607.1446 1.4811 -7.5449 3 176.8402249 89502 303411526 411527 a-Alanine, conf. I
29669.5856 0.0030 -7.9716 3 12.8489 63 89502 30310 7 4 10 6 4 a-Alanine, conf. I
29674.6907 0.0030 -6.5847 3 12.8489 63 89502 30310 7 3 10 6 4 a-Alanine, conf. I
29695.3060 4.0163 -7.8671 3 328.3534339 89502 303562136 562036 a-Alanine, conf. I
29731.4849 0.0989 -6.1506 3 46.2691129 89502 30321 714 21 615 a-Alanine, conf. I
29736.8098 0.0226 -6.3722 3 22.8533 93 89502 30315 411 15 312 a-Alanine, conf. I
29768.4077 0.2825 -7.5214 3 71.1232159 89502 30326 917 26 918 a-Alanine, conf. I
29782.7079 0.0639 -6.1524 3 43.9472123 89502 30320 911 20 812 a-Alanine, conf. I
29783.8663 0.0027 -6.5818 3 12.8451 63 89502 30310 7 4 10 6 5 a-Alanine, conf. I
29788.9714 0.0027 -7.9686 3 12.8451 63 89502 30310 7 3 10 6 5 a-Alanine, conf. I
29799.1476 0.0455 -7.6240 3 29.8141105 89502 30317 512 17 513 a-Alanine, conf. I
29834.9782 0.0266 -6.2655 3 28.9171 99 89502 30316 8 8 16 7 9 a-Alanine, conf. I
29847.4005 0.0195 -7.9240 3 40.0221105 89502 3031713 5 1614 2 a-Alanine, conf. I
29847.4008 0.0195 -7.9240 3 40.0221105 89502 3031713 4 1614 3 a-Alanine, conf. I
29852.1774 0.0008 -6.7789 3 1.9850 33 89502 303 5 2 4 4 1 3 a-Alanine, conf. I
29887.5709 0.0079 -6.2555 3 27.8082 99 89502 30316 710 16 611 a-Alanine, conf. I
30021.4561 0.0023 -6.6863 3 11.0096 57 89502 303 9 7 2 9 6 3 a-Alanine, conf. I
30026.2956 0.0008 -6.7217 3 2.9808 39 89502 303 6 1 5 5 2 4 a-Alanine, conf. I
30050.7345 0.0022 -6.6855 3 11.0086 57 89502 303 9 7 3 9 6 4 a-Alanine, conf. I
30098.0253 0.0042 -7.4198 3 11.0096 63 89502 30310 5 6 9 6 3 a-Alanine, conf. I
30201.9101 0.0682 -6.1999 3 37.6071117 89502 30319 613 19 514 a-Alanine, conf. I
30243.1823 0.0417 -6.2706 3 29.7993105 89502 30317 512 17 413 a-Alanine, conf. I
30249.4334 0.0022 -6.8389 3 9.3616 51 89502 303 8 7 1 8 6 2 a-Alanine, conf. I
30255.5987 0.0022 -6.8388 3 9.3614 51 89502 303 8 7 2 8 6 3 a-Alanine, conf. I
30315.0383 3.3485 -7.8067 3 294.6077321 89502 303532034 531934 a-Alanine, conf. I
30318.8900 0.0091 -7.8535 3 21.0762 87 89502 30314 6 9 14 410 a-Alanine, conf. I
30381.5043 0.0049 -7.8622 3 13.5394 75 89502 30312 210 12 211 a-Alanine, conf. I
30387.9440 0.0049 -6.6335 3 13.5392 75 89502 30312 210 12 111 a-Alanine, conf. I
30400.9600 0.0025 -7.1142 3 7.9019 45 89502 303 7 7 0 7 6 1 a-Alanine, conf. I
30401.8744 0.0025 -7.1142 3 7.9019 45 89502 303 7 7 1 7 6 2 a-Alanine, conf. I
30436.5378 0.0055 -7.7361 3 23.8452 93 89502 30315 610 15 411 a-Alanine, conf. I
30534.8300 0.0046 -6.6295 3 13.5394 75 89502 30312 310 12 211 a-Alanine, conf. I
30541.2697 0.0045 -7.8581 3 13.5392 75 89502 30312 310 12 111 a-Alanine, conf. I
30567.9186 0.0242 -7.9393 3 45.3753111 89502 3031814 4 1715 3 a-Alanine, conf. I
30567.9186 0.0242 -7.9393 3 45.3753111 89502 3031814 5 1715 2 a-Alanine, conf. I
30593.4819 0.9388 -7.4946 3 136.3879219 89502 303361323 361324 a-Alanine, conf. I
30606.2857 0.2469 -7.6469 3 73.0143159 89502 303261116 261016 a-Alanine, conf. I
30668.5385 0.5445 -7.4850 3 101.1453189 89502 303311120 311121 a-Alanine, conf. I
30731.8107 0.0165 -6.2670 3 26.7831 99 89502 30316 611 16 512 a-Alanine, conf. I
30735.6678 0.0130 -7.8486 3 24.8605 93 89502 30315 7 8 15 610 a-Alanine, conf. I
30888.8247 2.7512 -7.7529 3 262.6792303 89502 303501932 501832 a-Alanine, conf. I
30941.8804 0.1267 -5.9990 3 78.2621165 89502 303271116 271017 a-Alanine, conf. I
30956.0457 7.2198 -7.8654 3 441.3880393 89502 303652441 652442 a-Alanine, conf. I
30973.3080 0.0059 -7.4327 3 13.8387 69 89502 30311 6 6 10 7 3 a-Alanine, conf. I
31140.9150 0.0136 -6.2034 3 30.9243105 89502 30317 711 17 612 a-Alanine, conf. I
31261.2690 0.0006 -7.0564 3 2.9808 39 89502 303 6 2 5 5 2 4 a-Alanine, conf. I
31291.0975 0.0296 -7.9544 3 51.0663117 89502 3031915 4 1816 3 a-Alanine, conf. I
31291.0975 0.0296 -7.9544 3 51.0663117 89502 3031915 5 1816 2 a-Alanine, conf. I
31337.7415 0.0071 -7.4212 3 13.8386 69 89502 30311 6 5 10 7 4 a-Alanine, conf. I
31350.4183 2.7821 -7.5825 3 251.8996297 89502 303491831 491832 a-Alanine, conf. I
31379.3120 0.3757 -7.6188 3 90.3062177 89502 303291218 291118 a-Alanine, conf. I
31391.8746 2.2235 -7.7062 3 232.5711285 89502 303471830 471730 a-Alanine, conf. I
31406.2301 0.0141 -6.3297 3 22.8594 93 89502 30315 511 15 412 a-Alanine, conf. I
31425.9971 0.0061 -6.8927 3 10.5246 69 89502 30311 110 11 011 a-Alanine, conf. I
31442.8565 0.0061 -6.8922 3 10.5246 69 89502 30311 210 11 111 a-Alanine, conf. I
31445.2870 0.0189 -7.7353 3 25.8857 93 89502 30315 8 8 15 7 8 a-Alanine, conf. I
31493.0531 0.0071 -7.3708 3 11.0086 63 89502 30310 5 5 9 6 4 a-Alanine, conf. I
31572.2651 0.0492 -5.9426 3 102.1683189 89502 303311219 311120 a-Alanine, conf. I
31588.8900 0.0130 -7.6349 3 22.8533 93 89502 30315 511 15 312 a-Alanine, conf. I
31606.5383 0.0174 -6.2653 3 25.8857 93 89502 30315 8 7 15 7 8 a-Alanine, conf. I
31620.4045 0.0072 -7.4561 3 17.0067 75 89502 30312 7 6 11 8 3 a-Alanine, conf. I
31666.0503 0.0108 -7.6321 3 26.7519 99 89502 30316 611 16 412 a-Alanine, conf. I
31700.0943 0.0076 -7.4537 3 17.0067 75 89502 30312 7 5 11 8 4 a-Alanine, conf. I
31774.5469 0.0615 -7.6664 3 40.1012117 89502 30319 911 19 811 a-Alanine, conf. I
31797.7584 1.7637 -7.6673 3 204.2863267 89502 303441728 441628 a-Alanine, conf. I
31834.4614 4.6883 -7.6900 3 340.0998345 89502 303572136 572137 a-Alanine, conf. I
31869.1882 0.1026 -6.0474 3 57.5610141 89502 303231013 23 914 a-Alanine, conf. I
31878.6998 0.2074 -5.9506 3 95.0791183 89502 303301119 301020 a-Alanine, conf. I
31885.2078 0.5464 -7.6054 3 109.4353195 89502 303321320 321220 a-Alanine, conf. I
32078.7615 1.3696 -7.6369 3 177.8278249 89502 303411626 411526 a-Alanine, conf. I
32114.3140 0.0111 -7.6827 3 19.1491 87 89502 30314 311 14 312 a-Alanine, conf. I
32139.9655 0.0110 -6.4228 3 19.1482 87 89502 30314 311 14 212 a-Alanine, conf. I
32151.4196 0.7654 -7.6049 3 130.3999213 89502 303351422 351322 a-Alanine, conf. I
32151.5216 0.1967 -7.4732 3 60.2938147 89502 30324 816 24 817 a-Alanine, conf. I
32206.3066 1.0382 -7.6158 3 153.1982231 89502 303381524 381424 a-Alanine, conf. I
32238.2608 0.0085 -7.4801 3 20.5131 81 89502 30313 8 6 12 9 3 a-Alanine, conf. I
32247.6047 0.2222 -5.9703 3 82.6302171 89502 303281018 28 919 a-Alanine, conf. I
32253.6971 0.0086 -7.4796 3 20.5131 81 89502 30313 8 5 12 9 4 a-Alanine, conf. I
32262.2915 0.0007 -7.0110 3 2.9062 39 89502 303 6 1 5 5 1 4 a-Alanine, conf. I
32339.0602 0.1416 -5.9223 3 108.3565195 89502 303321220 321121 a-Alanine, conf. I
32489.2674 0.0506 -6.1233 3 40.1012117 89502 30319 910 19 811 a-Alanine, conf. I
32524.3452 0.0091 -6.4132 3 19.1491 87 89502 30314 411 14 312 a-Alanine, conf. I
32539.6719 0.0068 -7.2743 3 8.5161 57 89502 303 9 4 5 8 5 4 a-Alanine, conf. I
32549.9966 0.0090 -7.6723 3 19.1482 87 89502 30314 411 14 212 a-Alanine, conf. I
32650.8314 0.0006 -7.0852 3 3.4302 39 89502 303 6 3 4 5 3 3 a-Alanine, conf. I
32725.0447 0.0084 -6.1626 3 31.9631105 89502 30317 810 17 711 a-Alanine, conf. I
32741.7729 0.0008 -7.4717 3 4.6790 39 89502 303 6 5 2 5 5 1 a-Alanine, conf. I
32747.8239 0.0008 -7.4715 3 4.6790 39 89502 303 6 5 1 5 5 0 a-Alanine, conf. I
32752.9638 0.0090 -6.1965 3 28.8051 99 89502 30316 8 9 16 710 a-Alanine, conf. I
32761.0924 0.0115 -7.7248 3 23.0724 87 89502 30314 8 7 14 7 7 a-Alanine, conf. I
32814.0280 0.0111 -6.2852 3 23.0724 87 89502 30314 8 6 14 7 7 a-Alanine, conf. I
32841.9028 0.1581 -5.9303 3 96.1425183 89502 303301218 301119 a-Alanine, conf. I
32845.5421 0.0009 -6.7264 3 1.4250 27 89502 303 4 3 2 3 2 1 a-Alanine, conf. I
32871.9534 0.0007 -7.2076 3 3.9780 39 89502 303 6 4 3 5 4 2 a-Alanine, conf. I
32875.3778 0.0100 -7.5026 3 24.3576 87 89502 30314 9 6 1310 3 a-Alanine, conf. I
32878.1095 0.0100 -7.5025 3 24.3576 87 89502 30314 9 5 1310 4 a-Alanine, conf. I
32925.4946 0.0215 -6.1473 3 34.2029111 89502 30318 712 18 613 a-Alanine, conf. I
33027.0595 0.0087 -6.2314 3 25.8329 93 89502 30315 8 8 15 7 9 a-Alanine, conf. I
33035.9771 0.0007 -7.2032 3 3.9795 39 89502 303 6 4 2 5 4 1 a-Alanine, conf. I
33075.4255 0.0090 -6.1268 3 35.3011111 89502 30318 811 18 712 a-Alanine, conf. I
33083.6821 0.1997 -5.9874 3 71.0126159 89502 30326 917 26 818 a-Alanine, conf. I
33087.7993 0.0008 -7.7716 3 1.4250 27 89502 303 4 3 1 3 2 1 a-Alanine, conf. I
33162.1000 0.0029 -7.2535 3 10.1880 63 89502 30310 4 7 9 5 4 a-Alanine, conf. I
33188.3108 0.0075 -7.6958 3 25.8329 93 89502 30315 8 7 15 7 9 a-Alanine, conf. I
33192.1547 0.0069 -7.6915 3 28.8051 99 89502 30316 8 8 16 710 a-Alanine, conf. I
33192.7208 0.0008 -6.3036 3 3.4733 45 89502 303 7 0 7 6 1 6 a-Alanine, conf. I
33214.4669 0.0008 -6.8946 3 3.4733 45 89502 303 7 1 7 6 1 6 a-Alanine, conf. I
33244.7473 0.0300 -7.8532 3 27.8082 99 89502 30316 7 9 16 611 a-Alanine, conf. I
33250.9628 0.0008 -6.8935 3 3.4713 45 89502 303 7 0 7 6 0 6 a-Alanine, conf. I
33272.7090 0.0008 -6.3012 3 3.4713 45 89502 303 7 1 7 6 0 6 a-Alanine, conf. I
33282.4966 0.0221 -6.1981 3 29.8141105 89502 30317 612 17 513 a-Alanine, conf. I
33366.8454 0.0023 -6.8706 3 4.5193 45 89502 303 7 2 5 6 3 4 a-Alanine, conf. I
33420.3932 1.9336 -7.4821 3 203.1716267 89502 303441628 441629 a-Alanine, conf. I
33420.9230 0.0075 -6.2708 3 23.0504 87 89502 30314 8 7 14 7 8 a-Alanine, conf. I
33439.2516 0.0235 -7.5670 3 25.6365 99 89502 30316 412 16 413 a-Alanine, conf. I
33473.8586 0.0071 -7.7085 3 23.0504 87 89502 30314 8 6 14 7 8 a-Alanine, conf. I
33497.2648 0.0009 -6.5701 3 2.9062 39 89502 303 6 2 5 5 1 4 a-Alanine, conf. I
33517.5073 0.0229 -6.2752 3 25.6339 99 89502 30316 412 16 313 a-Alanine, conf. I
33534.8591 0.0118 -7.5236 3 28.5402 93 89502 3031510 6 1411 3 a-Alanine, conf. I
33535.3093 0.0118 -7.5236 3 28.5402 93 89502 3031510 5 1411 4 a-Alanine, conf. I
33557.7237 0.0061 -7.7728 3 15.6564 81 89502 30313 211 13 212 a-Alanine, conf. I
33560.0842 0.0061 -6.5508 3 15.6563 81 89502 30313 211 13 112 a-Alanine, conf. I
33593.5875 0.0073 -7.7385 3 20.4679 81 89502 30313 8 6 13 7 6 a-Alanine, conf. I
33608.9087 0.0072 -6.3237 3 20.4679 81 89502 30313 8 5 13 7 6 a-Alanine, conf. I
33621.4910 0.0059 -6.5493 3 15.6564 81 89502 30313 311 13 212 a-Alanine, conf. I
33623.8515 0.0059 -7.7712 3 15.6563 81 89502 30313 311 13 112 a-Alanine, conf. I
33685.5796 0.0008 -7.3150 3 1.0655 27 89502 303 4 2 2 3 1 3 a-Alanine, conf. I
33691.6269 0.1279 -7.4507 3 50.3287135 89502 30322 715 22 716 a-Alanine, conf. I
33726.5313 0.0184 -7.5374 3 29.7993105 89502 30317 612 17 413 a-Alanine, conf. I
33767.3961 0.0047 -7.0971 3 6.3569 51 89502 303 8 3 5 7 4 4 a-Alanine, conf. I
33802.0338 0.0115 -7.6932 3 31.9631105 89502 30317 8 9 17 711 a-Alanine, conf. I
33803.3345 0.1529 -5.9628 3 73.0143159 89502 303261115 261016 a-Alanine, conf. I
33814.6348 0.1111 -7.5857 3 53.1237135 89502 303221013 22 913 a-Alanine, conf. I
33837.1640 0.0059 -6.3183 3 20.4598 81 89502 30313 8 6 13 7 7 a-Alanine, conf. I
33842.8819 0.0008 -7.7743 3 1.3918 27 89502 303 4 3 2 3 2 2 a-Alanine, conf. I
33852.4852 0.0058 -7.7326 3 20.4598 81 89502 30313 8 5 13 7 7 a-Alanine, conf. I
33901.7395 0.0473 -5.8816 3 122.4643207 89502 303341321 341222 a-Alanine, conf. I
33911.6117 0.0146 -6.0871 3 38.8129117 89502 30319 812 19 713 a-Alanine, conf. I
33952.9029 8.7190 -7.8663 3 482.3496411 89502 303682543 682544 a-Alanine, conf. I
33997.1704 0.1573 -6.0087 3 60.2322147 89502 30324 816 24 717 a-Alanine, conf. I
34002.4273 0.4093 -7.4078 3 88.1855177 89502 303291019 291020 a-Alanine, conf. I
34065.8042 0.0011 -7.0434 3 3.4599 39 89502 303 6 3 3 5 3 2 a-Alanine, conf. I
34085.1390 0.0008 -6.7291 3 1.3918 27 89502 303 4 3 1 3 2 2 a-Alanine, conf. I
34137.3480 0.0048 -7.7735 3 18.0641 75 89502 30312 8 5 12 7 5 a-Alanine, conf. I
34141.1695 0.0048 -6.3796 3 18.0641 75 89502 30312 8 4 12 7 5 a-Alanine, conf. I
34211.5348 0.0141 -7.5435 3 33.0608 99 89502 3031611 6 1512 3 a-Alanine, conf. I
34211.6048 0.0141 -7.5435 3 33.0608 99 89502 3031611 5 1512 4 a-Alanine, conf. I
34216.2455 0.0044 -6.3778 3 18.0615 75 89502 30312 8 5 12 7 6 a-Alanine, conf. I
34220.0670 0.0044 -7.7716 3 18.0615 75 89502 30312 8 4 12 7 6 a-Alanine, conf. I
34236.3602 0.0444 -7.4943 3 32.9977111 89502 30318 513 18 514 a-Alanine, conf. I
34363.5573 0.0778 -7.4568 3 41.2294123 89502 30320 614 20 615 a-Alanine, conf. I
34373.4911 0.0171 -6.2550 3 25.6365 99 89502 30316 512 16 413 a-Alanine, conf. I
34394.5798 0.0393 -7.6072 3 36.4838111 89502 30318 910 18 810 a-Alanine, conf. I
34438.0286 0.0422 -6.1685 3 32.9910111 89502 30318 513 18 414 a-Alanine, conf. I
34451.7468 0.0165 -7.5443 3 25.6339 99 89502 30316 512 16 313 a-Alanine, conf. I
34509.7803 0.0034 -7.8313 3 15.8556 69 89502 30311 8 4 11 7 4 a-Alanine, conf. I
34510.5726 0.0034 -6.4556 3 15.8556 69 89502 30311 8 3 11 7 4 a-Alanine, conf. I
34513.2079 0.0083 -6.8145 3 12.3880 75 89502 30312 111 12 012 a-Alanine, conf. I
34519.5392 0.0083 -6.8144 3 12.3880 75 89502 30312 211 12 112 a-Alanine, conf. I
34531.4795 0.0009 -6.9604 3 3.1514 39 89502 303 6 2 4 5 2 3 a-Alanine, conf. I
34531.7788 0.0033 -6.4551 3 15.8549 69 89502 30311 8 4 11 7 5 a-Alanine, conf. I
34532.5711 0.0033 -7.8307 3 15.8549 69 89502 30311 8 3 11 7 5 a-Alanine, conf. I
34601.3068 1.2541 -7.4181 3 159.6355237 89502 303391425 391426 a-Alanine, conf. I
34624.2641 0.0151 -7.6519 3 30.8081105 89502 30317 711 17 512 a-Alanine, conf. I
34650.4418 0.1111 -6.0415 3 50.2968135 89502 30322 715 22 616 a-Alanine, conf. I
34681.1420 0.0352 -6.1081 3 36.4838111 89502 30318 9 9 18 810 a-Alanine, conf. I
34755.7880 0.1825 -5.8739 3 115.8585201 89502 303331320 331221 a-Alanine, conf. I
34774.2837 0.0027 -6.5601 3 13.8387 63 89502 30310 8 2 10 7 3 a-Alanine, conf. I
34779.2602 0.0027 -6.5600 3 13.8386 63 89502 30310 8 3 10 7 4 a-Alanine, conf. I
34811.0196 0.7516 -7.3920 3 121.3031207 89502 303341222 341223 a-Alanine, conf. I
34817.8328 0.0095 -7.5524 3 34.1397111 89502 30318 712 18 513 a-Alanine, conf. I
34824.3254 0.0714 -6.0927 3 41.2140123 89502 30320 614 20 515 a-Alanine, conf. I
34899.1072 0.0875 -6.0106 3 53.1237135 89502 303221012 22 913 a-Alanine, conf. I
34900.5985 0.0169 -7.5624 3 37.9192105 89502 3031712 6 1613 3 a-Alanine, conf. I
34900.6089 0.0169 -7.5624 3 37.9192105 89502 3031712 5 1613 4 a-Alanine, conf. I
34964.2880 0.0028 -6.7148 3 12.0110 57 89502 303 9 8 1 9 7 2 a-Alanine, conf. I
34965.2036 0.0028 -6.7148 3 12.0110 57 89502 303 9 8 2 9 7 3 a-Alanine, conf. I
34965.7784 0.0008 -7.6578 3 1.9850 33 89502 303 5 2 3 4 1 3 a-Alanine, conf. I
35014.4963 3.5069 -7.5429 3 283.1266315 89502 303521933 521934 a-Alanine, conf. I
35099.8044 0.0032 -6.9923 3 10.3706 51 89502 303 8 8 0 8 7 1 a-Alanine, conf. I
35099.9225 0.0032 -6.9923 3 10.3706 51 89502 303 8 8 1 8 7 2 a-Alanine, conf. I
35192.1146 0.0303 -6.0883 3 37.6390117 89502 30319 713 19 614 a-Alanine, conf. I
35230.1811 5.7666 -7.6713 3 376.2046363 89502 303602238 602239 a-Alanine, conf. I
35236.9417 0.2467 -5.8566 3 129.2245213 89502 303351322 351223 a-Alanine, conf. I
35238.6669 0.3260 -5.8701 3 114.6831201 89502 303331221 331122 a-Alanine, conf. I
35290.5970 0.0247 -6.0425 3 42.4918123 89502 30320 813 20 714 a-Alanine, conf. I
35436.9542 0.0008 -6.4320 3 4.0236 45 89502 303 7 1 6 6 2 5 a-Alanine, conf. I
35437.4665 0.0117 -7.5922 3 21.6712 93 89502 30315 312 15 313 a-Alanine, conf. I
35447.5097 0.0116 -6.3425 3 21.6709 93 89502 30315 312 15 213 a-Alanine, conf. I
35454.0661 0.0298 -7.6999 3 35.3011111 89502 30318 810 18 712 a-Alanine, conf. I
35529.9404 0.1864 -7.5276 3 67.9848153 89502 303251115 251015 a-Alanine, conf. I
35598.6329 0.0203 -7.5808 3 43.1156111 89502 3031813 6 1714 3 a-Alanine, conf. I
35598.6344 0.0203 -7.5808 3 43.1156111 89502 3031813 5 1714 4 a-Alanine, conf. I
35620.1264 0.0106 -6.3385 3 21.6712 93 89502 30315 412 15 313 a-Alanine, conf. I
35623.9839 0.2137 -5.8947 3 90.3062177 89502 303291217 291118 a-Alanine, conf. I
35630.1697 0.0106 -7.5879 3 21.6709 93 89502 30315 412 15 213 a-Alanine, conf. I
35688.6448 0.0438 -7.7542 3 21.6690 93 89502 30315 412 14 5 9 a-Alanine, conf. I
35756.6291 0.0053 -7.1581 3 12.8489 69 89502 30311 5 7 10 6 4 a-Alanine, conf. I
35765.0614 0.0252 -7.7632 3 27.6121 99 89502 30316 710 16 511 a-Alanine, conf. I
36020.4904 0.3366 -5.8760 3 100.9668189 89502 303311120 311021 a-Alanine, conf. I
36039.0656 0.0008 -6.8568 3 4.0236 45 89502 303 7 2 6 6 2 5 a-Alanine, conf. I
36054.2534 0.0272 -7.7855 3 36.4044117 89502 30319 514 18 811 a-Alanine, conf. I
36128.6984 0.0274 -6.1306 3 32.9977111 89502 30318 613 18 514 a-Alanine, conf. I
36147.9788 0.0246 -7.5771 3 33.0906105 89502 30317 9 9 17 8 9 a-Alanine, conf. I
36151.0557 0.0203 -7.4621 3 37.6071117 89502 30319 713 19 514 a-Alanine, conf. I
36252.7900 0.0232 -6.1109 3 33.0906105 89502 30317 9 8 17 8 9 a-Alanine, conf. I
36303.2881 0.0245 -7.5988 3 48.6499117 89502 3031914 6 1815 3 a-Alanine, conf. I
36303.2883 0.0245 -7.5988 3 48.6499117 89502 3031914 5 1815 4 a-Alanine, conf. I
36330.3669 0.0253 -7.4502 3 32.9910111 89502 30318 613 18 414 a-Alanine, conf. I
36337.6582 0.0978 -5.8309 3 144.5917225 89502 303371423 371324 a-Alanine, conf. I
36485.2809 0.0146 -6.0379 3 39.9441117 89502 30319 911 19 812 a-Alanine, conf. I
36493.2246 0.0129 -6.0119 3 43.6690123 89502 30320 912 20 813 a-Alanine, conf. I
36540.5881 0.2894 -7.3534 3 76.0873165 89502 30327 918 27 919 a-Alanine, conf. I
36671.9276 0.0008 -6.8354 3 3.9824 45 89502 303 7 1 6 6 1 5 a-Alanine, conf. I
36692.7180 0.0078 -7.6939 3 17.9243 87 89502 30314 212 14 213 a-Alanine, conf. I
36693.5675 0.0078 -6.4772 3 17.9243 87 89502 30314 212 14 113 a-Alanine, conf. I
36712.9979 0.1932 -5.8281 3 137.4084219 89502 303361422 361323 a-Alanine, conf. I
36718.3694 0.0077 -6.4767 3 17.9243 87 89502 30314 312 14 213 a-Alanine, conf. I
36719.2189 0.0077 -7.6933 3 17.9243 87 89502 30314 312 14 113 a-Alanine, conf. I
36773.2203 0.0152 -6.0631 3 36.4044111 89502 30318 910 18 811 a-Alanine, conf. I
36823.9233 0.0046 -7.1672 3 12.0591 69 89502 30311 4 8 10 5 5 a-Alanine, conf. I
36925.7807 0.0149 -5.9827 3 47.5731129 89502 30321 913 21 814 a-Alanine, conf. I
36935.5618 0.2949 -7.4879 3 84.6843171 89502 303281217 281117 a-Alanine, conf. I
36980.9743 0.0081 -7.1514 3 15.8556 75 89502 30312 6 7 11 7 4 a-Alanine, conf. I
37012.9195 0.0294 -7.6164 3 54.5219123 89502 3032015 6 1916 3 a-Alanine, conf. I
37012.9196 0.0294 -7.6164 3 54.5219123 89502 3032015 5 1916 4 a-Alanine, conf. I
37014.2212 0.0235 -7.4720 3 28.5646105 89502 30317 413 17 414 a-Alanine, conf. I
37039.1256 0.0739 -7.5107 3 48.9173129 89502 303211012 21 912 a-Alanine, conf. I
37046.7103 0.0232 -6.1945 3 28.5636105 89502 30317 413 17 314 a-Alanine, conf. I
37059.7825 0.0122 -7.5527 3 36.4044111 89502 30318 9 9 18 811 a-Alanine, conf. I
37092.9767 0.1401 -5.9207 3 67.9848153 89502 303251114 251015 a-Alanine, conf. I
37182.9101 0.2982 -5.8802 3 88.0794177 89502 303291019 29 920 a-Alanine, conf. I
37200.0014 0.0112 -7.5581 3 39.9441117 89502 30319 910 19 812 a-Alanine, conf. I
37206.5772 0.0374 -5.9937 3 46.3320129 89502 30321 814 21 715 a-Alanine, conf. I
37207.8662 0.0010 -6.6193 3 2.1891 33 89502 303 5 3 3 4 2 2 a-Alanine, conf. I
37224.9679 0.0140 -6.0900 3 33.0546105 89502 30317 9 9 17 810 a-Alanine, conf. I
37274.0389 0.0010 -6.3707 3 3.9824 45 89502 303 7 2 6 6 1 5 a-Alanine, conf. I
37291.6249 0.0159 -7.5702 3 29.9123 99 89502 30316 9 8 16 8 8 a-Alanine, conf. I
37326.3876 0.0155 -6.1300 3 29.9123 99 89502 30316 9 7 16 8 8 a-Alanine, conf. I
37329.7791 0.0128 -7.5527 3 33.0546105 89502 30317 9 8 17 810 a-Alanine, conf. I
37353.0037 2.4699 -7.4312 3 231.3251285 89502 303471730 471731 a-Alanine, conf. I
37368.3610 0.2825 -5.8402 3 109.4353195 89502 303321319 321220 a-Alanine, conf. I
37458.2559 0.0197 -6.1855 3 28.5646105 89502 30317 513 17 414 a-Alanine, conf. I
37490.7449 0.0194 -7.4621 3 28.5636105 89502 30317 513 17 314 a-Alanine, conf. I
37504.1038 0.0642 -5.9841 3 48.9173129 89502 303211011 21 912 a-Alanine, conf. I
37594.3224 0.0110 -6.7440 3 14.4023 81 89502 30313 112 13 013 a-Alanine, conf. I
37596.6470 0.0110 -6.7439 3 14.4023 81 89502 30313 212 13 113 a-Alanine, conf. I
37678.9304 0.0103 -7.1704 3 19.2029 81 89502 30313 7 7 12 8 4 a-Alanine, conf. I
37694.5764 0.1103 -7.7965 3 51.6495141 89502 30323 518 22 815 a-Alanine, conf. I
37726.3446 0.0352 -7.6340 3 60.7318129 89502 3032116 5 2017 4 a-Alanine, conf. I
37726.3446 0.0352 -7.6340 3 60.7318129 89502 3032116 6 2017 3 a-Alanine, conf. I
37730.8157 0.0119 -6.1213 3 29.8977 99 89502 30316 9 8 16 8 9 a-Alanine, conf. I
37743.3890 0.0010 -6.1270 3 4.5812 51 89502 303 8 0 8 7 1 7 a-Alanine, conf. I
37751.2373 0.0010 -6.7258 3 4.5812 51 89502 303 8 1 8 7 1 7 a-Alanine, conf. I
37765.1351 0.0010 -6.7254 3 4.5805 51 89502 303 8 0 8 7 0 7 a-Alanine, conf. I
37765.5784 0.0115 -7.5604 3 29.8977 99 89502 30316 9 7 16 8 9 a-Alanine, conf. I
37772.9835 0.0010 -6.1262 3 4.5805 51 89502 303 8 1 8 7 0 7 a-Alanine, conf. I
37847.4697 0.0392 -6.0285 3 41.2294123 89502 30320 714 20 615 a-Alanine, conf. I
37878.7457 0.0253 -5.9488 3 51.6495135 89502 30322 914 22 815 a-Alanine, conf. I
37904.9210 0.0008 -6.8568 3 4.5193 45 89502 303 7 3 5 6 3 4 a-Alanine, conf. I
37926.3283 0.0117 -7.1640 3 19.2028 81 89502 30313 7 6 12 8 5 a-Alanine, conf. I
37968.8160 0.0119 -7.1239 3 15.8549 75 89502 30312 6 6 11 7 5 a-Alanine, conf. I
38048.6069 0.4447 -7.4638 3 103.2214189 89502 303311319 311219 a-Alanine, conf. I
38055.4198 0.0108 -7.5812 3 26.9400 93 89502 30315 9 7 15 8 7 a-Alanine, conf. I
38065.7631 0.0107 -6.1628 3 26.9400 93 89502 30315 9 6 15 8 7 a-Alanine, conf. I
38071.2611 0.0426 -7.7119 3 39.9441123 89502 30320 515 19 812 a-Alanine, conf. I
38097.6529 0.0009 -7.5716 3 2.1891 33 89502 303 5 3 2 4 2 2 a-Alanine, conf. I
38121.1183 0.0254 -7.5675 3 43.6690123 89502 30320 911 20 813 a-Alanine, conf. I
38158.4343 0.0011 -6.4295 3 1.7946 27 89502 303 4 4 1 3 3 0 a-Alanine, conf. I
38163.4115 0.0011 -7.5708 3 1.7946 27 89502 303 4 4 0 3 3 0 a-Alanine, conf. I
38174.9427 0.0011 -7.3369 3 6.6285 45 89502 303 7 6 2 6 6 1 a-Alanine, conf. I
38175.7929 0.0011 -7.3369 3 6.6285 45 89502 303 7 6 1 6 6 0 a-Alanine, conf. I
38182.8346 0.1929 -7.3231 3 64.8513153 89502 30325 817 25 818 a-Alanine, conf. I
38194.5121 0.0011 -7.5704 3 1.7934 27 89502 303 4 4 1 3 3 1 a-Alanine, conf. I
38199.4892 0.0011 -6.4290 3 1.7934 27 89502 303 4 4 0 3 3 1 a-Alanine, conf. I
38200.1392 5.8283 -7.7748 3 389.2465369 89502 303612339 612239 a-Alanine, conf. I
38205.8939 0.0431 -7.3909 3 36.3326117 89502 30319 514 19 515 a-Alanine, conf. I
38216.6711 0.0094 -6.1596 3 26.9346 93 89502 30315 9 7 15 8 8 a-Alanine, conf. I
38227.0144 0.0093 -7.5777 3 26.9346 93 89502 30315 9 6 15 8 8 a-Alanine, conf. I
38251.0107 0.0121 -7.1946 3 22.8893 87 89502 30314 8 7 13 9 4 a-Alanine, conf. I
38260.2481 0.0310 -7.5288 3 18.9577 87 89502 30314 411 13 5 8 a-Alanine, conf. I
38270.5774 0.3966 -5.8013 3 151.9216231 89502 303381424 381325 a-Alanine, conf. I
38294.2486 0.0420 -6.0845 3 36.3297117 89502 30319 514 19 415 a-Alanine, conf. I
38304.5603 0.0126 -7.1933 3 22.8893 87 89502 30314 8 6 13 9 5 a-Alanine, conf. I
38308.2378 0.0330 -7.3786 3 41.2140123 89502 30320 714 20 515 a-Alanine, conf. I
38324.1228 0.2352 -5.8892 3 76.0279165 89502 30327 918 27 819 a-Alanine, conf. I
38329.9408 0.0009 -7.0655 3 5.7711 45 89502 303 7 5 3 6 5 2 a-Alanine, conf. I
38335.7695 0.5680 -7.3111 3 107.0778195 89502 303321121 321122 a-Alanine, conf. I
38361.9481 0.0009 -7.0648 3 5.7714 45 89502 303 7 5 2 6 5 1 a-Alanine, conf. I
38442.6901 0.0418 -7.6515 3 67.2794135 89502 3032217 5 2118 4 a-Alanine, conf. I
38442.6901 0.0418 -7.6515 3 67.2794135 89502 3032217 6 2118 3 a-Alanine, conf. I
38445.2170 0.0009 -6.9241 3 5.0745 45 89502 303 7 4 4 6 4 3 a-Alanine, conf. I
38590.5121 0.0075 -7.6080 3 24.1670 87 89502 30314 9 6 14 8 6 a-Alanine, conf. I
38593.2279 0.0075 -6.2085 3 24.1670 87 89502 30314 9 5 14 8 6 a-Alanine, conf. I
38622.3458 0.0625 -7.7114 3 38.8129117 89502 30319 811 19 713 a-Alanine, conf. I
38631.6205 0.0878 -7.7359 3 47.5731135 89502 30322 517 21 814 a-Alanine, conf. I
38643.4477 0.0071 -6.2074 3 24.1652 87 89502 30314 9 6 14 8 7 a-Alanine, conf. I
38646.1634 0.0071 -7.6068 3 24.1652 87 89502 30314 9 5 14 8 7 a-Alanine, conf. I
38663.6725 0.0128 -7.5136 3 24.3442 99 89502 30316 313 16 314 a-Alanine, conf. I
38667.5172 0.0127 -6.2719 3 24.3441 99 89502 30316 313 16 214 a-Alanine, conf. I
38678.5573 6.9994 -7.6627 3 414.1193381 89502 303632340 632341 a-Alanine, conf. I
38693.2348 4.8845 -7.7111 3 352.4485351 89502 303582237 582137 a-Alanine, conf. I
38726.4672 1.6319 -7.3544 3 184.7083255 89502 303421527 421528 a-Alanine, conf. I
38733.3037 0.4865 -5.8019 3 136.1164219 89502 303361323 361224 a-Alanine, conf. I
38737.7420 0.1826 -5.7916 3 160.7897237 89502 303391524 391425 a-Alanine, conf. I
38741.9283 0.0122 -6.2703 3 24.3442 99 89502 30316 413 16 314 a-Alanine, conf. I
38745.7729 0.0122 -7.5119 3 24.3441 99 89502 30316 413 16 214 a-Alanine, conf. I
38767.4296 4.3478 -7.5141 3 316.1702333 89502 303552035 552036 a-Alanine, conf. I
38774.5093 0.0222 -7.4894 3 42.3756123 89502 30320 813 20 614 a-Alanine, conf. I
38829.1842 0.0138 -7.2187 3 26.9142 93 89502 30315 9 7 1410 4 a-Alanine, conf. I
38839.6203 0.0140 -7.2184 3 26.9142 93 89502 30315 9 6 1410 5 a-Alanine, conf. I
38841.7369 0.0646 -7.7026 3 43.6690129 89502 30321 516 20 813 a-Alanine, conf. I
38888.5017 0.6438 -7.4532 3 123.5951207 89502 303341421 341321 a-Alanine, conf. I
38892.1544 0.2055 -5.7893 3 168.5481243 89502 303401525 401426 a-Alanine, conf. I
38894.7209 0.0741 -7.3408 3 44.9717129 89502 30321 615 21 616 a-Alanine, conf. I
38920.8811 0.0123 -7.0545 3 12.8451 69 89502 30311 5 6 10 6 5 a-Alanine, conf. I
38935.2243 0.1222 -7.3185 3 54.4788141 89502 30323 716 23 717 a-Alanine, conf. I
38938.0314 0.0013 -6.9125 3 5.0814 45 89502 303 7 4 3 6 4 2 a-Alanine, conf. I
38982.5416 0.0053 -7.6509 3 21.5890 81 89502 30313 9 5 13 8 5 a-Alanine, conf. I
38983.1557 0.0053 -6.2682 3 21.5890 81 89502 30313 9 4 13 8 5 a-Alanine, conf. I
38997.8628 0.0052 -6.2679 3 21.5885 81 89502 30313 9 5 13 8 6 a-Alanine, conf. I
38998.4768 0.0052 -7.6506 3 21.5885 81 89502 30313 9 4 13 8 6 a-Alanine, conf. I
39019.6218 0.0100 -7.1973 3 14.1433 75 89502 30312 4 9 11 5 6 a-Alanine, conf. I
39063.9704 1.0040 -7.3133 3 143.2886225 89502 303371324 371325 a-Alanine, conf. I
39071.4028 0.3548 -5.7973 3 130.3999213 89502 303351421 351322 a-Alanine, conf. I
39092.0864 0.0163 -7.4030 3 46.2691129 89502 30321 814 21 615 a-Alanine, conf. I
39100.3087 0.2105 -5.8493 3 84.6843171 89502 303281216 281117 a-Alanine, conf. I
39107.1542 0.0706 -6.0032 3 44.9646129 89502 30321 615 21 516 a-Alanine, conf. I
39124.0656 0.1688 -5.9093 3 64.8199153 89502 30325 817 25 718 a-Alanine, conf. I
39143.2972 4.0427 -7.6530 3 317.4633333 89502 303552135 552035 a-Alanine, conf. I
39161.2960 0.0495 -7.6691 3 74.1648141 89502 3032318 5 2219 4 a-Alanine, conf. I
39161.2960 0.0495 -7.6691 3 74.1648141 89502 3032318 6 2219 3 a-Alanine, conf. I
39164.8350 0.0322 -6.0663 3 36.3326117 89502 30319 614 19 515 a-Alanine, conf. I
39253.1897 0.0311 -7.3701 3 36.3297117 89502 30319 614 19 415 a-Alanine, conf. I
39275.9879 0.0476 -7.4648 3 44.9406123 89502 303201011 20 911 a-Alanine, conf. I
39277.7184 0.0039 -7.7140 3 19.2029 75 89502 30312 9 4 12 8 4 a-Alanine, conf. I
39277.8336 0.0039 -6.3463 3 19.2029 75 89502 30312 9 3 12 8 4 a-Alanine, conf. I
39281.5399 0.0039 -6.3462 3 19.2028 75 89502 30312 9 4 12 8 5 a-Alanine, conf. I
39281.6550 0.0039 -7.7140 3 19.2028 75 89502 30312 9 3 12 8 5 a-Alanine, conf. I
39384.3155 0.1289 -7.4386 3 63.1873147 89502 303241114 241014 a-Alanine, conf. I
39392.4448 0.0417 -5.9098 3 55.8917141 89502 30323 915 23 816 a-Alanine, conf. I
39399.9484 0.1124 -5.9460 3 54.4633141 89502 30323 716 23 617 a-Alanine, conf. I
39438.2734 0.0157 -7.2415 3 31.2773 99 89502 3031610 7 1511 4 a-Alanine, conf. I
39440.1484 0.0157 -7.2415 3 31.2773 99 89502 3031610 6 1511 5 a-Alanine, conf. I
39460.0230 0.0439 -5.9738 3 44.9406123 89502 303201010 20 911 a-Alanine, conf. I
39476.9579 0.9005 -7.4545 3 145.8037225 89502 303371523 371423 a-Alanine, conf. I
39481.5806 0.0191 -7.3297 3 16.4447 81 89502 30313 410 12 5 7 a-Alanine, conf. I
39501.8990 0.0033 -6.4522 3 17.0067 69 89502 30311 9 2 11 8 3 a-Alanine, conf. I
39502.6744 0.0033 -6.4522 3 17.0067 69 89502 30311 9 3 11 8 4 a-Alanine, conf. I
39525.1753 3.2992 -7.6011 3 284.2945315 89502 303522033 521933 a-Alanine, conf. I
39595.8858 0.0510 -5.9420 3 50.3287135 89502 30322 815 22 716 a-Alanine, conf. I
39671.0879 0.0035 -6.6082 3 14.9987 63 89502 30310 9 1 10 8 2 a-Alanine, conf. I
39671.2148 0.0035 -6.6082 3 14.9987 63 89502 30310 9 2 10 8 3 a-Alanine, conf. I
39796.6856 0.0042 -6.8872 3 13.1773 57 89502 303 9 9 0 9 8 1 a-Alanine, conf. I
39796.7001 0.0042 -6.8872 3 13.1773 57 89502 303 9 9 1 9 8 2 a-Alanine, conf. I
39806.3196 0.0100 -7.6231 3 20.3431 93 89502 30315 213 15 214 a-Alanine, conf. I
39806.6206 0.0100 -6.4109 3 20.3431 93 89502 30315 213 15 114 a-Alanine, conf. I
39812.6394 2.6502 -7.5558 3 252.9453297 89502 303491931 491831 a-Alanine, conf. I
39816.3628 0.0100 -6.4107 3 20.3431 93 89502 30315 313 15 214 a-Alanine, conf. I
39816.6639 0.0100 -7.6229 3 20.3431 93 89502 30315 313 15 114 a-Alanine, conf. I
39821.5086 0.0008 -7.5924 3 2.1019 33 89502 303 5 3 3 4 2 3 a-Alanine, conf. I
39837.7132 1.2226 -7.4664 3 169.8454243 89502 303401625 401525 a-Alanine, conf. I
39845.8540 0.0011 -6.7662 3 4.3032 45 89502 303 7 2 5 6 2 4 a-Alanine, conf. I
39860.7573 0.0414 -7.5844 3 38.6145117 89502 30319 812 19 613 a-Alanine, conf. I
39881.6528 0.0582 -7.6868 3 81.3878147 89502 3032419 5 2320 4 a-Alanine, conf. I
39881.6528 0.0582 -7.6868 3 81.3878147 89502 3032419 6 2320 3 a-Alanine, conf. I
39908.4291 0.4866 -5.7959 3 121.1331207 89502 303341222 341123 a-Alanine, conf. I
39978.7222 2.0912 -7.5178 3 223.4188279 89502 303461829 461729 a-Alanine, conf. I
39996.1309 1.6173 -7.4878 3 195.7179261 89502 303431727 431627 a-Alanine, conf. I
40074.8709 0.0179 -7.2633 3 35.9785105 89502 3031711 7 1612 4 a-Alanine, conf. I
40075.1863 0.0179 -7.2632 3 35.9785105 89502 3031711 6 1612 5 a-Alanine, conf. I
40091.7090 0.1084 -5.8855 3 63.1873147 89502 303241113 241014 a-Alanine, conf. I
40130.1192 0.0217 -5.9085 3 52.9130135 89502 303221013 22 914 a-Alanine, conf. I
40180.7397 0.0026 -6.5064 3 5.7837 51 89502 303 8 2 6 7 3 5 a-Alanine, conf. I
40193.2361 0.0187 -5.8880 3 57.2057141 89502 303231014 23 915 a-Alanine, conf. I
40200.6336 0.1042 -7.6983 3 34.9917117 89502 30319 515 18 612 a-Alanine, conf. I
40272.1657 0.0017 -6.7939 3 4.5962 45 89502 303 7 3 4 6 3 3 a-Alanine, conf. I
40298.6659 0.0613 -7.5803 3 47.5731129 89502 30321 912 21 814 a-Alanine, conf. I
40397.6974 0.0242 -7.3918 3 31.6435111 89502 30318 414 18 415 a-Alanine, conf. I
40410.8385 0.0241 -6.1252 3 31.6431111 89502 30318 414 18 315 a-Alanine, conf. I
40412.0108 0.0240 -5.9268 3 48.8048129 89502 303211012 21 913 a-Alanine, conf. I
40442.4961 0.0009 -6.2125 3 5.2257 51 89502 303 8 1 7 7 2 6 a-Alanine, conf. I
40554.7007 0.0353 -7.3232 3 50.2968135 89502 30322 815 22 616 a-Alanine, conf. I
40599.3658 0.0221 -6.1213 3 31.6435111 89502 30318 514 18 415 a-Alanine, conf. I
40603.3599 0.0680 -7.7048 3 88.9485153 89502 3032520 5 2421 4 a-Alanine, conf. I
40603.3599 0.0680 -7.7048 3 88.9485153 89502 3032520 6 2421 3 a-Alanine, conf. I
40612.5069 0.0220 -7.3876 3 31.6431111 89502 30318 514 18 315 a-Alanine, conf. I
40672.3537 0.0142 -6.6797 3 16.5676 87 89502 30314 113 14 014 a-Alanine, conf. I
40673.1914 0.0142 -6.6797 3 16.5676 87 89502 30314 213 14 114 a-Alanine, conf. I
40699.0503 0.0105 -6.9199 3 10.1709 63 89502 30310 4 6 9 5 5 a-Alanine, conf. I
40710.4338 0.0009 -6.6887 3 5.2257 51 89502 303 8 2 7 7 2 6 a-Alanine, conf. I
40711.2953 0.0009 -6.6585 3 2.1019 33 89502 303 5 3 2 4 2 3 a-Alanine, conf. I
40724.1689 0.0240 -5.8635 3 61.6762147 89502 303241015 24 916 a-Alanine, conf. I
40731.9827 0.0205 -7.2841 3 41.0177111 89502 3031812 7 1713 4 a-Alanine, conf. I
40732.0329 0.0205 -7.2841 3 41.0177111 89502 3031812 6 1713 5 a-Alanine, conf. I
40765.0127 0.4246 -5.7644 3 153.1982231 89502 303381523 381424 a-Alanine, conf. I
40771.0901 0.0312 -7.4424 3 41.1850117 89502 303191010 19 910 a-Alanine, conf. I
40780.2302 0.0474 -5.9697 3 44.9717129 89502 30321 715 21 616 a-Alanine, conf. I
40838.2153 0.0300 -5.9789 3 41.1850117 89502 3031910 9 19 910 a-Alanine, conf. I
40848.8112 0.1464 -5.7633 3 186.0001255 89502 303421626 421527 a-Alanine, conf. I
40876.9890 0.0174 -7.4391 3 48.8048129 89502 303211011 21 913 a-Alanine, conf. I
40903.8815 0.0235 -5.9453 3 44.8863123 89502 303201011 20 912 a-Alanine, conf. I
40951.6715 0.3000 -5.7931 3 103.2214189 89502 303311318 311219 a-Alanine, conf. I
40977.3905 0.0057 -6.9724 3 14.8839 75 89502 30312 5 8 11 6 5 a-Alanine, conf. I
40989.5878 0.4058 -7.2520 3 93.7118183 89502 303301020 301021 a-Alanine, conf. I
40992.6635 0.0439 -7.3010 3 44.9646129 89502 30321 715 21 516 a-Alanine, conf. I
41010.4881 0.0012 -6.5109 3 3.1514 39 89502 303 6 3 4 5 2 3 a-Alanine, conf. I
41044.6075 0.0010 -6.6796 3 5.2056 51 89502 303 8 1 7 7 1 6 a-Alanine, conf. I
41087.9166 0.0205 -7.4307 3 44.8863123 89502 303201010 20 912 a-Alanine, conf. I
41214.5916 0.0198 -7.4512 3 52.9130135 89502 303221012 22 914 a-Alanine, conf. I
41312.5452 0.0011 -6.1890 3 5.2056 51 89502 303 8 2 7 7 1 6 a-Alanine, conf. I
41364.4327 0.4251 -5.7894 3 106.9768195 89502 303321121 321022 a-Alanine, conf. I
41377.5521 3.0952 -7.3915 3 261.2990303 89502 303501832 501833 a-Alanine, conf. I
41404.0401 0.0236 -7.3044 3 46.3950117 89502 3031913 7 1814 4 a-Alanine, conf. I
41404.0477 0.0236 -7.3044 3 46.3950117 89502 3031913 6 1814 5 a-Alanine, conf. I
41435.6688 0.2116 -7.3865 3 79.2942165 89502 303271216 271116 a-Alanine, conf. I
41438.3034 0.5999 -5.7557 3 176.4456249 89502 303411526 411427 a-Alanine, conf. I
41444.0116 0.0607 -5.8666 3 60.2938147 89502 30324 916 24 817 a-Alanine, conf. I
41455.6665 0.0414 -7.6410 3 44.8863129 89502 30321 615 20 912 a-Alanine, conf. I
41485.8106 0.0210 -5.9663 3 41.1611117 89502 303191010 19 911 a-Alanine, conf. I
41552.9358 0.0199 -7.4277 3 41.1611117 89502 3031910 9 19 911 a-Alanine, conf. I
41571.5067 0.3698 -5.7561 3 194.3313261 89502 303431627 431528 a-Alanine, conf. I
41720.3619 0.0064 -6.7106 3 7.8236 57 89502 303 9 3 6 8 4 5 a-Alanine, conf. I
41783.5579 0.0215 -7.4375 3 37.6406111 89502 3031810 9 18 9 9 a-Alanine, conf. I
41805.3248 0.0417 -5.8340 3 66.3176153 89502 303251016 25 917 a-Alanine, conf. I
41806.0037 0.0211 -5.9967 3 37.6406111 89502 3031810 8 18 9 9 a-Alanine, conf. I
41837.3752 0.0143 -7.4439 3 27.1680105 89502 30317 314 17 315 a-Alanine, conf. I
41838.8192 0.0143 -6.2088 3 27.1680105 89502 30317 314 17 215 a-Alanine, conf. I
41845.2714 0.0428 -7.3063 3 39.8182123 89502 30320 515 20 516 a-Alanine, conf. I
41869.8643 0.0140 -6.2082 3 27.1680105 89502 30317 414 17 315 a-Alanine, conf. I
41871.3082 0.0140 -7.4433 3 27.1680105 89502 30317 414 17 215 a-Alanine, conf. I
41881.0763 0.0013 -7.4703 3 2.9062 39 89502 303 6 2 4 5 1 4 a-Alanine, conf. I
41882.8547 0.0422 -6.0143 3 39.8170123 89502 30320 515 20 416 a-Alanine, conf. I
42070.1201 0.0176 -5.9916 3 37.6310111 89502 3031810 9 18 910 a-Alanine, conf. I
42087.1307 0.0273 -7.3242 3 52.1101123 89502 3032014 7 1915 4 a-Alanine, conf. I
42087.1318 0.0273 -7.3242 3 52.1101123 89502 3032014 6 1915 5 a-Alanine, conf. I
42092.5659 0.0173 -7.4317 3 37.6310111 89502 3031810 8 18 910 a-Alanine, conf. I
42147.7559 0.0850 -7.3790 3 58.6241141 89502 303231113 231013 a-Alanine, conf. I
42152.4209 8.3956 -7.6638 3 453.8409399 89502 303662442 662443 a-Alanine, conf. I
42278.8737 0.0012 -5.9731 3 5.8405 57 89502 303 9 0 9 8 1 8 a-Alanine, conf. I
42281.6352 0.0012 -6.5774 3 5.8405 57 89502 303 9 1 9 8 1 8 a-Alanine, conf. I
42286.7221 0.0012 -6.5773 3 5.8402 57 89502 303 9 0 9 8 0 8 a-Alanine, conf. I
42289.4835 0.0012 -5.9728 3 5.8402 57 89502 303 9 1 9 8 0 8 a-Alanine, conf. I
42306.0395 0.0364 -6.0060 3 39.8182123 89502 30320 615 20 516 a-Alanine, conf. I
42343.6228 0.0358 -7.2970 3 39.8170123 89502 30320 615 20 416 a-Alanine, conf. I
42352.2741 0.0541 -7.6875 3 34.9917111 89502 30318 811 18 612 a-Alanine, conf. I
42352.9700 0.6950 -5.7448 3 159.3770237 89502 303391425 391326 a-Alanine, conf. I
42356.6656 0.0640 -5.8893 3 54.4788141 89502 30323 816 23 717 a-Alanine, conf. I
42445.4938 0.0767 -5.8645 3 58.6241141 89502 303231112 231013 a-Alanine, conf. I
42460.8896 0.1719 -5.8072 3 79.2942165 89502 303271215 271116 a-Alanine, conf. I
42477.3755 0.4839 -5.7403 3 177.8278249 89502 303411625 411526 a-Alanine, conf. I
42500.0701 0.0154 -7.4462 3 34.2998105 89502 3031710 8 17 9 8 a-Alanine, conf. I
42506.8926 0.0153 -6.0249 3 34.2998105 89502 3031710 7 17 9 8 a-Alanine, conf. I
42522.5910 0.0521 -7.4660 3 57.2057141 89502 303231013 23 915 a-Alanine, conf. I
42582.1128 5.3113 -7.4956 3 351.0281351 89502 303582137 582138 a-Alanine, conf. I
42604.8813 0.0141 -6.0230 3 34.2963105 89502 3031710 8 17 9 9 a-Alanine, conf. I
42611.7038 0.0140 -7.4441 3 34.2963105 89502 3031710 7 17 9 9 a-Alanine, conf. I
42655.5858 0.0031 -7.5734 3 8.7652 57 89502 303 9 5 4 9 2 7 a-Alanine, conf. I
42678.4169 0.4080 -5.7498 3 123.5951207 89502 303341420 341321 a-Alanine, conf. I
42696.9509 0.3347 -5.7884 3 93.6549183 89502 303301020 30 921 a-Alanine, conf. I
42700.0021 0.2758 -7.2159 3 81.2059171 89502 30328 919 28 920 a-Alanine, conf. I
42741.9509 0.7608 -7.2295 3 127.7988213 89502 303351223 351224 a-Alanine, conf. I
42778.5244 0.0317 -7.3438 3 58.1630129 89502 3032115 7 2016 4 a-Alanine, conf. I
42778.5245 0.0317 -7.3438 3 58.1630129 89502 3032115 6 2016 5 a-Alanine, conf. I
42813.8861 0.0294 -7.3562 3 55.7775141 89502 30323 915 23 716 a-Alanine, conf. I
42821.3898 0.0545 -7.2485 3 54.4633141 89502 30323 816 23 617 a-Alanine, conf. I
42908.2793 0.0128 -7.5589 3 22.9128 99 89502 30316 214 16 215 a-Alanine, conf. I
42908.3845 0.0128 -6.3505 3 22.9128 99 89502 30316 214 16 115 a-Alanine, conf. I
42910.0076 0.0102 -6.9279 3 18.0641 81 89502 30313 6 8 12 7 5 a-Alanine, conf. I
42912.1239 0.0128 -6.3504 3 22.9128 99 89502 30316 314 16 215 a-Alanine, conf. I
42912.2292 0.0128 -7.5589 3 22.9128 99 89502 30316 314 16 115 a-Alanine, conf. I
42927.4093 0.0712 -7.2483 3 48.8649135 89502 30322 616 22 617 a-Alanine, conf. I
42941.2127 2.0757 -7.3025 3 211.6047273 89502 303451629 451630 a-Alanine, conf. I
43001.0504 0.0010 -6.6728 3 5.7837 51 89502 303 8 3 6 7 3 5 a-Alanine, conf. I
43022.1409 0.0693 -5.9297 3 48.8617135 89502 30322 616 22 517 a-Alanine, conf. I
43032.4729 0.0112 -7.4668 3 31.1574 99 89502 3031610 7 16 9 7 a-Alanine, conf. I
43034.3346 0.0112 -6.0628 3 31.1574 99 89502 3031610 6 16 9 7 a-Alanine, conf. I
43059.5498 0.1085 -5.7426 3 213.0371273 89502 303451728 451629 a-Alanine, conf. I
43067.2357 0.0108 -6.0621 3 31.1562 99 89502 3031610 7 16 9 8 a-Alanine, conf. I
43069.0973 0.0108 -7.4661 3 31.1562 99 89502 3031610 6 16 9 8 a-Alanine, conf. I
43092.0236 0.0012 -7.3106 3 1.7140 33 89502 303 5 2 3 4 1 4 a-Alanine, conf. I
43200.1682 0.3302 -7.3511 3 97.2380183 89502 303301318 301218 a-Alanine, conf. I
43289.6604 0.0275 -7.2799 3 60.2322147 89502 30324 916 24 717 a-Alanine, conf. I
43315.2476 0.0010 -7.3808 3 3.1514 39 89502 303 6 3 3 5 2 3 a-Alanine, conf. I
43399.7765 1.3042 -7.2478 3 167.1005243 89502 303401426 401427 a-Alanine, conf. I
43442.6489 0.0082 -7.4997 3 28.2097 93 89502 3031510 6 15 9 6 a-Alanine, conf. I
43443.0970 0.0082 -6.1111 3 28.2097 93 89502 3031510 5 15 9 6 a-Alanine, conf. I
43448.9209 0.0011 -6.3368 3 2.5287 33 89502 303 5 4 2 4 3 1 a-Alanine, conf. I
43452.9922 0.0081 -6.1109 3 28.2094 93 89502 3031510 6 15 9 7 a-Alanine, conf. I
43453.4403 0.0081 -7.4995 3 28.2094 93 89502 3031510 5 15 9 7 a-Alanine, conf. I
43459.8746 0.0662 -5.7995 3 71.1232159 89502 303261017 26 918 a-Alanine, conf. I
43476.2748 0.0369 -7.3632 3 64.5538135 89502 3032216 7 2117 4 a-Alanine, conf. I
43476.2749 0.0369 -7.3632 3 64.5538135 89502 3032216 6 2117 5 a-Alanine, conf. I
43492.5209 0.0011 -7.4243 3 2.5287 33 89502 303 5 4 1 4 3 1 a-Alanine, conf. I
43505.9609 0.1802 -7.2033 3 69.5614159 89502 30326 818 26 819 a-Alanine, conf. I
43529.7400 0.1146 -7.2142 3 58.7802147 89502 30324 717 24 718 a-Alanine, conf. I
43608.3300 0.0016 -7.2221 3 8.9160 51 89502 303 8 7 2 7 7 1 a-Alanine, conf. I
43608.4409 0.0016 -7.2221 3 8.9160 51 89502 303 8 7 1 7 7 0 a-Alanine, conf. I
43611.8488 0.2431 -5.7985 3 81.1755171 89502 30328 919 28 820 a-Alanine, conf. I
43639.9230 0.1867 -7.6425 3 51.4526141 89502 30323 618 22 715 a-Alanine, conf. I
43672.0363 0.0255 -7.3219 3 34.8730117 89502 30319 415 19 416 a-Alanine, conf. I
43677.2354 0.0254 -6.0641 3 34.8728117 89502 30319 415 19 316 a-Alanine, conf. I
43691.1780 0.0011 -7.4226 3 2.5207 33 89502 303 5 4 2 4 3 2 a-Alanine, conf. I
43706.0806 0.0300 -5.8017 3 67.7120153 89502 303251115 251016 a-Alanine, conf. I
43734.7780 0.0011 -6.3344 3 2.5207 33 89502 303 5 4 1 4 3 2 a-Alanine, conf. I
43746.6164 0.1093 -5.8669 3 58.7730147 89502 30324 717 24 618 a-Alanine, conf. I
43748.7715 0.0181 -6.6209 3 18.8838 93 89502 30315 114 15 015 a-Alanine, conf. I
43749.0687 0.0181 -6.6209 3 18.8838 93 89502 30315 214 15 115 a-Alanine, conf. I
43754.6057 0.0012 -6.9461 3 7.9019 51 89502 303 8 6 3 7 6 2 a-Alanine, conf. I
43759.9675 0.0012 -6.9460 3 7.9019 51 89502 303 8 6 2 7 6 1 a-Alanine, conf. I
43760.3910 0.0244 -6.0625 3 34.8730117 89502 30319 515 19 416 a-Alanine, conf. I
43764.7820 0.0060 -7.5470 3 25.4543 87 89502 3031410 5 14 9 5 a-Alanine, conf. I
43764.8747 0.0060 -6.1724 3 25.4543 87 89502 3031410 4 14 9 5 a-Alanine, conf. I
43765.5901 0.0244 -7.3202 3 34.8728117 89502 30319 515 19 316 a-Alanine, conf. I
43767.4978 0.0060 -6.1724 3 25.4542 87 89502 3031410 5 14 9 6 a-Alanine, conf. I
43767.5905 0.0060 -7.5469 3 25.4542 87 89502 3031410 4 14 9 6 a-Alanine, conf. I
43783.0047 0.0616 -7.4389 3 51.4526135 89502 30322 914 22 715 a-Alanine, conf. I
43794.5820 0.1997 -7.6505 3 71.1232165 89502 30327 621 26 918 a-Alanine, conf. I
43813.2434 0.0140 -6.9356 3 21.5890 87 89502 30314 7 8 13 8 5 a-Alanine, conf. I
43841.8907 0.0261 -5.7854 3 72.5728159 89502 303261116 261017 a-Alanine, conf. I
43886.2242 0.0544 -5.9135 3 48.8649135 89502 30322 716 22 617 a-Alanine, conf. I
43895.7864 0.6762 -5.7286 3 143.1275225 89502 303371324 371225 a-Alanine, conf. I
43956.5529 0.0801 -5.8207 3 64.8513153 89502 30325 917 25 818 a-Alanine, conf. I
43960.4468 0.0012 -6.7966 3 7.0497 51 89502 303 8 5 4 7 5 3 a-Alanine, conf. I
43962.9411 0.0351 -5.8151 3 63.0346147 89502 303241114 241015 a-Alanine, conf. I
43965.4648 0.1664 -5.8238 3 69.5460159 89502 30326 818 26 719 a-Alanine, conf. I
43969.1963 0.0012 -6.7067 3 6.3569 51 89502 303 8 4 5 7 4 4 a-Alanine, conf. I
43980.9558 0.0526 -7.2294 3 48.8617135 89502 30322 716 22 517 a-Alanine, conf. I
44019.0646 0.0046 -7.6134 3 22.8893 81 89502 3031310 4 13 9 4 a-Alanine, conf. I
44019.0805 0.0046 -6.2516 3 22.8893 81 89502 3031310 3 13 9 4 a-Alanine, conf. I
44019.6786 0.0046 -6.2515 3 22.8893 81 89502 3031310 4 13 9 5 a-Alanine, conf. I
44019.6945 0.0046 -7.6134 3 22.8893 81 89502 3031310 3 13 9 5 a-Alanine, conf. I
44036.1669 0.0563 -7.3437 3 54.2878135 89502 303221112 221012 a-Alanine, conf. I
44080.7276 0.0014 -6.7942 3 7.0510 51 89502 303 8 5 3 7 5 2 a-Alanine, conf. I
44152.8230 0.0532 -5.8586 3 54.2878135 89502 303221111 221012 a-Alanine, conf. I
44178.9585 0.0429 -7.3826 3 71.2824141 89502 3032317 6 2218 5 a-Alanine, conf. I
44178.9585 0.0429 -7.3826 3 71.2824141 89502 3032317 7 2218 4 a-Alanine, conf. I
44194.2301 0.1175 -7.5963 3 51.6495135 89502 30322 913 22 815 a-Alanine, conf. I
44218.8462 0.0042 -6.3583 3 20.5131 75 89502 3031210 2 12 9 3 a-Alanine, conf. I
44218.9593 0.0042 -6.3583 3 20.5131 75 89502 3031210 3 12 9 4 a-Alanine, conf. I
44221.5241 0.0870 -7.4955 3 31.5227111 89502 30318 514 17 611 a-Alanine, conf. I
44232.4100 0.5234 -5.7240 3 204.2863267 89502 303441727 441628 a-Alanine, conf. I
44311.9901 0.5326 -5.7176 3 145.8037225 89502 303371522 371423 a-Alanine, conf. I
44374.0062 0.0046 -6.5152 3 18.3244 69 89502 3031110 1 11 9 2 a-Alanine, conf. I
44374.0229 0.0046 -6.5152 3 18.3244 69 89502 3031110 2 11 9 3 a-Alanine, conf. I
44376.5051 0.5987 -5.7308 3 221.9386279 89502 303461729 461630 a-Alanine, conf. I
44377.3879 0.0168 -6.9577 3 25.4543 93 89502 30315 8 8 14 9 5 a-Alanine, conf. I
44383.9296 0.0015 -6.3898 3 4.3032 45 89502 303 7 3 5 6 2 4 a-Alanine, conf. I
44477.1108 0.0363 -5.8276 3 58.5464141 89502 303231113 231014 a-Alanine, conf. I
44484.9811 0.0379 -5.7645 3 77.6100165 89502 303271117 271018 a-Alanine, conf. I
44488.3951 0.0183 -6.9201 3 21.5885 87 89502 30314 7 7 13 8 6 a-Alanine, conf. I
44492.4927 0.0055 -6.7954 3 16.3220 63 89502 3031010 0 10 9 1 a-Alanine, conf. I
44492.4944 0.0055 -6.7954 3 16.3220 63 89502 3031010 1 10 9 2 a-Alanine, conf. I
44541.3550 0.0183 -6.9542 3 25.4542 93 89502 30315 8 7 14 9 6 a-Alanine, conf. I
44630.2337 0.2585 -5.7458 3 97.2380183 89502 303301317 301218 a-Alanine, conf. I
44670.3346 0.0231 -7.3479 3 63.0346147 89502 303241113 241015 a-Alanine, conf. I
44687.1396 0.4941 -7.3301 3 117.0179201 89502 303331420 331320 a-Alanine, conf. I
44718.8153 0.0012 -6.6128 3 5.6323 51 89502 303 8 2 6 7 2 5 a-Alanine, conf. I
44727.9807 0.0448 -7.5175 3 48.8048135 89502 30322 616 21 913 a-Alanine, conf. I
44733.2480 0.8647 -5.7191 3 202.7942267 89502 303441628 441529 a-Alanine, conf. I
44764.2655 0.1429 -7.3144 3 74.1419159 89502 303261215 261115 a-Alanine, conf. I
44774.8486 0.0295 -7.3334 3 58.5464141 89502 303231112 231014 a-Alanine, conf. I
44885.5092 0.0500 -7.4020 3 78.3487147 89502 3032418 6 2319 5 a-Alanine, conf. I
44885.5092 0.0500 -7.4020 3 78.3487147 89502 3032418 7 2319 4 a-Alanine, conf. I
44890.9706 0.0191 -6.9823 3 29.6588 99 89502 30316 9 8 1510 5 a-Alanine, conf. I
44897.7840 0.0573 -7.2084 3 64.8199153 89502 30325 917 25 718 a-Alanine, conf. I
44926.1815 0.0195 -6.9816 3 29.6588 99 89502 30316 9 7 1510 6 a-Alanine, conf. I
44982.0485 0.0163 -7.3812 3 30.1426111 89502 30318 315 18 316 a-Alanine, conf. I
44982.5820 0.0163 -6.1515 3 30.1426111 89502 30318 315 18 216 a-Alanine, conf. I
44995.1896 0.0162 -6.1513 3 30.1426111 89502 30318 415 18 316 a-Alanine, conf. I
44995.7231 0.0162 -7.3809 3 30.1426111 89502 30318 415 18 216 a-Alanine, conf. I
45105.0565 0.0024 -6.6822 3 6.3803 51 89502 303 8 4 4 7 4 3 a-Alanine, conf. I
45120.6393 0.0341 -5.8411 3 54.2516135 89502 303221112 221013 a-Alanine, conf. I
45198.8076 0.0011 -6.0359 3 6.5836 57 89502 303 9 1 8 8 2 7 a-Alanine, conf. I
45217.9791 0.1258 -5.7773 3 74.1419159 89502 303261214 261115 a-Alanine, conf. I
45234.8150 0.0196 -6.8679 3 18.0615 81 89502 30313 6 7 12 7 6 a-Alanine, conf. I
45237.2954 0.0313 -7.3229 3 54.2516135 89502 303221111 221013 a-Alanine, conf. I
45246.3894 0.0063 -7.4425 3 10.5498 63 89502 30310 5 5 10 2 8 a-Alanine, conf. I
45269.1170 0.0382 -7.3649 3 67.7120153 89502 303251114 251016 a-Alanine, conf. I
45282.0165 0.0435 -7.2346 3 43.4542129 89502 30321 516 21 517 a-Alanine, conf. I
45297.6100 0.0433 -5.9538 3 43.4537129 89502 30321 516 21 417 a-Alanine, conf. I
45302.7945 0.1148 -7.4832 3 61.6762147 89502 303241014 24 916 a-Alanine, conf. I
45310.6766 0.0011 -6.5429 3 6.5836 57 89502 303 9 2 8 8 2 7 a-Alanine, conf. I
45328.4366 0.0389 -7.3265 3 50.1683129 89502 303211111 211011 a-Alanine, conf. I
45370.8983 0.0379 -5.8650 3 50.1683129 89502 303211110 211011 a-Alanine, conf. I
45375.3888 0.0755 -5.8375 3 58.7802147 89502 30324 817 24 718 a-Alanine, conf. I
45377.9669 0.1845 -5.7289 3 241.8978291 89502 303481830 481731 a-Alanine, conf. I
45389.4695 0.0062 -6.8656 3 17.1214 81 89502 30313 5 9 12 6 6 a-Alanine, conf. I
45399.8999 0.1716 -7.5759 3 66.3176159 89502 30326 620 25 917 a-Alanine, conf. I
45434.9552 0.0213 -7.0064 3 34.2019105 89502 3031710 8 1611 5 a-Alanine, conf. I
45441.8474 0.0214 -7.0062 3 34.2019105 89502 3031710 7 1611 6 a-Alanine, conf. I
45466.7452 0.0011 -6.5393 3 6.5747 57 89502 303 9 1 8 8 1 7 a-Alanine, conf. I
45466.9153 3.8138 -7.3623 3 293.0911321 89502 303531934 531935 a-Alanine, conf. I
45476.8187 0.5476 -7.1669 3 113.1662201 89502 303331122 331123 a-Alanine, conf. I
45494.4498 0.0400 -5.9502 3 43.4542129 89502 30321 616 21 517 a-Alanine, conf. I
45510.0433 0.0398 -7.2305 3 43.4537129 89502 30321 616 21 417 a-Alanine, conf. I
45578.6142 0.0012 -6.0272 3 6.5747 57 89502 303 9 2 8 8 1 7 a-Alanine, conf. I
45592.2652 0.0703 -7.1787 3 58.7730147 89502 30324 817 24 618 a-Alanine, conf. I
45595.1109 0.0580 -7.4216 3 85.7527153 89502 3032519 6 2420 5 a-Alanine, conf. I
45595.1109 0.0580 -7.4216 3 85.7527153 89502 3032519 7 2420 4 a-Alanine, conf. I
45610.5413 0.5827 -5.7130 3 127.7031213 89502 303351223 351124 a-Alanine, conf. I
45648.5833 0.0933 -5.7609 3 76.0873165 89502 303271018 27 919 a-Alanine, conf. I
45703.0547 0.0656 -5.7385 3 82.8165171 89502 303281118 281019 a-Alanine, conf. I
45746.2209 0.0865 -7.5726 3 54.2516141 89502 30323 716 221013 a-Alanine, conf. I
45793.4148 0.0298 -5.8575 3 50.1528129 89502 303211111 211012 a-Alanine, conf. I
45835.8765 0.0289 -7.3177 3 50.1528129 89502 303211110 211012 a-Alanine, conf. I
45883.0654 0.6696 -5.6951 3 169.8454243 89502 303401624 401525 a-Alanine, conf. I
45908.7376 0.7129 -7.3217 3 138.6330219 89502 303361522 361422 a-Alanine, conf. I
46003.4297 0.0162 -7.5004 3 25.6335105 89502 30317 215 17 216 a-Alanine, conf. I
46003.4660 0.0162 -6.2952 3 25.6335105 89502 30317 215 17 116 a-Alanine, conf. I
46004.8736 0.0162 -6.2951 3 25.6335105 89502 30317 315 17 216 a-Alanine, conf. I
46004.9100 0.0162 -7.5004 3 25.6335105 89502 30317 315 17 116 a-Alanine, conf. I
46017.9071 0.0237 -7.0295 3 39.0834111 89502 3031811 8 1712 5 a-Alanine, conf. I
46019.1599 0.0237 -7.0295 3 39.0834111 89502 3031811 7 1712 6 a-Alanine, conf. I
46049.3979 0.5332 -5.7149 3 232.5711285 89502 303471829 471730 a-Alanine, conf. I
46083.8651 0.9571 -5.6979 3 184.4629255 89502 303421527 421428 a-Alanine, conf. I
46124.0891 0.0009 -7.4325 3 2.9808 39 89502 303 6 3 4 5 2 4 a-Alanine, conf. I
46246.6690 0.0283 -7.3224 3 46.2568123 89502 303201110 201010 a-Alanine, conf. I
46260.9625 0.0280 -5.8811 3 46.2568123 89502 3032011 9 201010 a-Alanine, conf. I
46280.1423 0.0024 -6.5958 3 5.9395 51 89502 303 8 3 5 7 3 4 a-Alanine, conf. I
46286.3822 0.0869 -7.5279 3 47.2608129 89502 30321 913 21 714 a-Alanine, conf. I
46307.1278 0.0671 -7.4413 3 93.4943159 89502 3032620 6 2521 5 a-Alanine, conf. I
46307.1278 0.0671 -7.4413 3 93.4943159 89502 3032620 7 2521 4 a-Alanine, conf. I
46382.2088 0.0025 -6.2248 3 7.2181 57 89502 303 9 2 7 8 3 6 a-Alanine, conf. I
46430.7041 0.0249 -5.8781 3 46.2507123 89502 303201110 201011 a-Alanine, conf. I
46431.7554 6.4037 -7.4867 3 387.6977369 89502 303612239 612240 a-Alanine, conf. I
46444.9976 0.0246 -7.3190 3 46.2507123 89502 3032011 9 201011 a-Alanine, conf. I
46476.3916 0.0717 -7.4702 3 52.9130141 89502 30323 617 22 914 a-Alanine, conf. I
46540.4620 0.1398 -7.5146 3 61.6762153 89502 30325 619 24 916 a-Alanine, conf. I
46619.4733 0.0701 -7.1723 3 52.9082141 89502 30323 617 23 618 a-Alanine, conf. I
46620.4568 0.3717 -5.6987 3 117.0179201 89502 303331419 331320 a-Alanine, conf. I
46632.2359 0.0263 -7.0518 3 44.3031117 89502 3031912 8 1813 5 a-Alanine, conf. I
46632.4501 0.0263 -7.0518 3 44.3031117 89502 3031912 7 1813 6 a-Alanine, conf. I
46660.5610 0.0692 -5.8681 3 52.9069141 89502 30323 617 23 518 a-Alanine, conf. I
46775.1490 0.0361 -7.2463 3 71.0126159 89502 303261017 26 818 a-Alanine, conf. I
46808.4776 0.0016 -5.8366 3 7.2508 63 89502 30310 010 9 1 9 a-Alanine, conf. I
46809.4302 0.0016 -6.4451 3 7.2508 63 89502 30310 110 9 1 9 a-Alanine, conf. I
46811.2391 0.0016 -6.4451 3 7.2507 63 89502 30310 010 9 0 9 a-Alanine, conf. I
46812.1916 0.0016 -5.8365 3 7.2507 63 89502 30310 110 9 0 9 a-Alanine, conf. I
46821.2352 0.0980 -5.7739 3 69.5614159 89502 30326 918 26 819 a-Alanine, conf. I
46824.3613 0.0225 -6.5667 3 21.3509 99 89502 30316 115 16 016 a-Alanine, conf. I
46824.4653 0.0225 -6.5667 3 21.3509 99 89502 30316 215 16 116 a-Alanine, conf. I
46880.1002 0.9968 -7.3245 3 162.0818237 89502 303391624 391524 a-Alanine, conf. I
46885.0874 0.0273 -7.2597 3 38.2530123 89502 30320 416 20 417 a-Alanine, conf. I
46887.1055 0.0272 -6.0092 3 38.2530123 89502 30320 416 20 317 a-Alanine, conf. I
46922.6706 0.0267 -6.0085 3 38.2530123 89502 30320 516 20 417 a-Alanine, conf. I
46924.6888 0.0267 -7.2590 3 38.2530123 89502 30320 516 20 317 a-Alanine, conf. I
46932.2528 0.0213 -7.3289 3 42.5472117 89502 3031911 9 1910 9 a-Alanine, conf. I
46936.6717 0.0212 -5.9053 3 42.5472117 89502 3031911 8 1910 9 a-Alanine, conf. I
46986.6336 0.1056 -7.4752 3 57.2057147 89502 30324 618 23 915 a-Alanine, conf. I
46999.3780 0.0201 -5.9042 3 42.5449117 89502 3031911 9 191010 a-Alanine, conf. I
47003.7969 0.0200 -7.3277 3 42.5449117 89502 3031911 8 191010 a-Alanine, conf. I
47021.0558 0.0773 -7.4613 3 101.5737165 89502 3032721 6 2622 5 a-Alanine, conf. I
47021.0558 0.0773 -7.4613 3 101.5737165 89502 3032721 7 2622 4 a-Alanine, conf. I
47038.9396 0.0988 -7.3837 3 72.5728159 89502 303261115 261017 a-Alanine, conf. I
47084.1974 0.0605 -5.8607 3 52.9082141 89502 30323 717 23 618 a-Alanine, conf. I
47088.4327 0.0955 -7.2676 3 69.2221153 89502 303251214 251114 a-Alanine, conf. I
47100.1110 0.4577 -5.7038 3 113.1120201 89502 303331122 331023 a-Alanine, conf. I
47125.2851 0.0595 -7.1637 3 52.9069141 89502 30323 717 23 518 a-Alanine, conf. I
47126.2119 0.2288 -7.2675 3 91.4945177 89502 303291317 291217 a-Alanine, conf. I
47128.4950 0.2811 -7.5789 3 71.0126165 89502 30327 721 26 818 a-Alanine, conf. I
47151.5015 0.0192 -6.7692 3 14.8719 75 89502 30312 5 7 11 6 6 a-Alanine, conf. I
47196.2764 0.9892 -7.1616 3 150.3473231 89502 303381325 381326 a-Alanine, conf. I
47218.5809 2.5883 -7.2618 3 240.3228291 89502 303481731 481732 a-Alanine, conf. I
47228.1691 0.3779 -7.1261 3 99.3914189 89502 303311021 311022 a-Alanine, conf. I
47228.3126 0.0392 -5.7134 3 84.3409171 89502 303281217 281118 a-Alanine, conf. I
47269.8103 0.0293 -7.0735 3 49.8608123 89502 3032013 8 1914 5 a-Alanine, conf. I
47269.8451 0.0293 -7.0735 3 49.8608123 89502 3032013 7 1914 6 a-Alanine, conf. I
47276.5965 0.0888 -5.7620 3 69.2221153 89502 303251213 251114 a-Alanine, conf. I
47280.7392 0.0847 -7.1409 3 69.5460159 89502 30326 918 26 719 a-Alanine, conf. I
47302.9451 0.9015 -5.7128 3 251.3675297 89502 303491831 491732 a-Alanine, conf. I
47420.6413 0.8133 -5.6811 3 195.7179261 89502 303431726 431627 a-Alanine, conf. I
47432.1180 0.0454 -7.1780 3 76.0279165 89502 303271018 27 819 a-Alanine, conf. I
47442.3533 0.0484 -5.7231 3 79.0939165 89502 303271216 271117 a-Alanine, conf. I
47452.3865 0.0363 -5.7003 3 89.7700177 89502 303291218 291119 a-Alanine, conf. I
47466.0733 0.0162 -7.3448 3 39.0351111 89502 3031811 8 1810 8 a-Alanine, conf. I
47467.3158 0.0162 -5.9370 3 39.0351111 89502 3031811 7 1810 8 a-Alanine, conf. I
47488.5191 0.0158 -5.9366 3 39.0344111 89502 3031811 8 1810 9 a-Alanine, conf. I
47489.7616 0.0158 -7.3443 3 39.0344111 89502 3031811 7 1810 9 a-Alanine, conf. I
47502.0356 0.1004 -5.7077 3 88.1855177 89502 303291119 291020 a-Alanine, conf. I
47539.1260 0.0019 -6.2531 3 5.6323 51 89502 303 8 3 6 7 2 5 a-Alanine, conf. I
47554.1062 0.0656 -7.2822 3 28.2279105 89502 30317 513 16 610 a-Alanine, conf. I
47579.0432 0.0843 -7.3192 3 66.1250153 89502 303251016 25 817 a-Alanine, conf. I
47608.9133 0.1092 -7.1310 3 63.2319153 89502 30325 718 25 719 a-Alanine, conf. I
47619.2427 1.3557 -7.3374 3 187.3627255 89502 303421726 421626 a-Alanine, conf. I
47707.0379 0.1064 -5.8022 3 63.2286153 89502 30325 718 25 619 a-Alanine, conf. I
47736.4896 0.0887 -7.4815 3 109.9906171 89502 3032822 6 2723 5 a-Alanine, conf. I
47736.4896 0.0887 -7.4815 3 109.9906171 89502 3032822 7 2723 4 a-Alanine, conf. I
47786.5038 0.1962 -5.7084 3 91.4945177 89502 303291316 291217 a-Alanine, conf. I
47792.1427 1.6542 -7.1943 3 192.7371261 89502 303431528 431529 a-Alanine, conf. I
47806.9820 0.3868 -5.7219 3 272.5795309 89502 303511932 511833 a-Alanine, conf. I
47893.0324 0.0122 -7.3703 3 35.7177105 89502 3031711 7 1710 7 a-Alanine, conf. I
47893.3460 0.0122 -5.9769 3 35.7177105 89502 3031711 6 1710 7 a-Alanine, conf. I
47899.8549 0.0121 -5.9768 3 35.7175105 89502 3031711 7 1710 8 a-Alanine, conf. I
47900.1685 0.0121 -7.3701 3 35.7175105 89502 3031711 6 1710 8 a-Alanine, conf. I
47924.5575 0.0328 -7.0948 3 55.7565129 89502 3032114 8 2015 5 a-Alanine, conf. I
47924.5629 0.0328 -7.0948 3 55.7565129 89502 3032114 7 2015 6 a-Alanine, conf. I
47933.7230 0.0013 -6.5190 3 7.2181 57 89502 303 9 3 7 8 3 6 a-Alanine, conf. I
47942.7970 0.5030 -5.7123 3 262.6792303 89502 303501931 501832 a-Alanine, conf. I
47961.3144 0.0527 -5.7309 3 74.0352159 89502 303261215 261116 a-Alanine, conf. I
47964.5498 0.9089 -5.6728 3 166.9482243 89502 303401426 401327 a-Alanine, conf. I
48067.8587 0.2534 -7.1072 3 86.4761177 89502 30329 920 29 921 a-Alanine, conf. I
48086.9536 0.1762 -7.4794 3 47.2608135 89502 30322 617 21 714 a-Alanine, conf. I
48103.1265 0.3356 -5.7057 3 99.3622189 89502 303311021 31 922 a-Alanine, conf. I
48109.7283 0.0189 -7.3241 3 33.2680117 89502 30319 316 19 317 a-Alanine, conf. I
48109.9226 0.0189 -6.0992 3 33.2680117 89502 30319 316 19 217 a-Alanine, conf. I
48114.9273 0.0189 -6.0991 3 33.2680117 89502 30319 416 19 317 a-Alanine, conf. I
48115.1216 0.0189 -7.3240 3 33.2680117 89502 30319 416 19 217 a-Alanine, conf. I
48140.0958 0.1672 -7.1092 3 74.4221165 89502 30327 819 27 820 a-Alanine, conf. I
48144.1546 1.1983 -5.6909 3 230.9652285 89502 303471730 471631 a-Alanine, conf. I
48146.7596 1.7994 -7.3593 3 214.4734273 89502 303451828 451728 a-Alanine, conf. I
48219.0015 0.0586 -5.6823 3 95.3739183 89502 303301219 301120 a-Alanine, conf. I
48238.9263 0.0091 -7.4067 3 32.5929 99 89502 3031611 6 1610 6 a-Alanine, conf. I
48238.9961 0.0091 -6.0264 3 32.5929 99 89502 3031611 5 1610 6 a-Alanine, conf. I
48240.7880 0.0091 -6.0264 3 32.5928 99 89502 3031611 6 1610 7 a-Alanine, conf. I
48240.8578 0.0091 -7.4067 3 32.5928 99 89502 3031611 5 1610 7 a-Alanine, conf. I
48282.8047 0.1196 -5.7199 3 81.2059171 89502 303281019 28 920 a-Alanine, conf. I
48309.7203 0.0014 -6.1148 3 3.0676 33 89502 303 5 5 1 4 4 0 a-Alanine, conf. I
48310.3396 0.0014 -7.2628 3 3.0676 33 89502 303 5 5 0 4 4 0 a-Alanine, conf. I
48314.6974 0.0014 -7.2627 3 3.0674 33 89502 303 5 5 1 4 4 1 a-Alanine, conf. I
48315.3167 0.0014 -6.1147 3 3.0674 33 89502 303 5 5 0 4 4 1 a-Alanine, conf. I
48356.7285 0.1597 -5.7538 3 74.4148165 89502 30327 819 27 720 a-Alanine, conf. I
48405.4992 0.0012 -6.2636 3 3.4599 39 89502 303 6 4 3 5 3 2 a-Alanine, conf. I
48415.0279 0.0391 -7.2556 3 74.0352159 89502 303261214 261116 a-Alanine, conf. I
48428.8486 0.0016 -6.6417 3 2.9808 39 89502 303 6 3 3 5 2 4 a-Alanine, conf. I
48453.0985 0.1014 -7.5021 3 118.7450177 89502 3032923 6 2824 5 a-Alanine, conf. I
48453.0985 0.1014 -7.5021 3 118.7450177 89502 3032923 7 2824 4 a-Alanine, conf. I
48453.7367 5.5923 -7.5798 3 377.3798363 89502 303602338 602238 a-Alanine, conf. I
48454.4112 0.5138 -5.6639 3 138.6330219 89502 303361521 361422 a-Alanine, conf. I
48467.5741 0.0314 -7.2747 3 79.0939165 89502 303271215 271117 a-Alanine, conf. I
48485.4012 2.3371 -7.3895 3 243.4115291 89502 303481930 481830 a-Alanine, conf. I
48515.7905 0.2349 -5.7219 3 86.4611177 89502 30329 920 29 821 a-Alanine, conf. I
48519.9195 0.0069 -7.4568 3 29.6588 93 89502 3031511 5 1510 5 a-Alanine, conf. I
48519.9329 0.0069 -6.0885 3 29.6588 93 89502 3031511 4 1510 5 a-Alanine, conf. I
48520.3676 0.0069 -6.0885 3 29.6588 93 89502 3031511 5 1510 6 a-Alanine, conf. I
48520.3810 0.0069 -7.4568 3 29.6588 93 89502 3031511 4 1510 6 a-Alanine, conf. I
48539.0072 0.0118 -6.8482 3 19.5704 87 89502 30314 510 13 6 7 a-Alanine, conf. I
48550.1444 0.0853 -5.7878 3 63.2319153 89502 30325 818 25 719 a-Alanine, conf. I
48555.0198 0.0112 -6.7561 3 20.4679 87 89502 30314 6 9 13 7 6 a-Alanine, conf. I
48592.2030 0.0369 -7.1158 3 61.9902135 89502 3032215 8 2116 5 a-Alanine, conf. I
48592.2038 0.0369 -7.1158 3 61.9902135 89502 3032215 7 2116 6 a-Alanine, conf. I
48601.3698 0.0452 -7.1719 3 47.2405135 89502 30322 517 22 518 a-Alanine, conf. I
48607.7026 0.0451 -5.9004 3 47.2403135 89502 30322 517 22 418 a-Alanine, conf. I
48613.1229 0.0012 -7.2860 3 3.4599 39 89502 303 6 4 2 5 3 2 a-Alanine, conf. I
48617.4469 4.5979 -7.5229 3 341.1617345 89502 303572236 572136 a-Alanine, conf. I
48648.2689 0.0825 -7.1140 3 63.2286153 89502 30325 818 25 619 a-Alanine, conf. I
48651.4690 0.0515 -5.7389 3 69.1699153 89502 303251214 251115 a-Alanine, conf. I
48659.5809 2.9775 -7.4272 3 274.1742309 89502 303512032 511932 a-Alanine, conf. I
48684.4555 0.1723 -7.5725 3 64.5010153 89502 30325 817 241114 a-Alanine, conf. I
48694.2396 0.0661 -7.2399 3 64.5246147 89502 303241213 241113 a-Alanine, conf. I
48694.8600 3.7286 -7.4718 3 306.7587327 89502 303542134 542034 a-Alanine, conf. I
48696.1014 0.0434 -5.8988 3 47.2405135 89502 30322 617 22 518 a-Alanine, conf. I
48702.4342 0.0432 -7.1702 3 47.2403135 89502 30322 617 22 418 a-Alanine, conf. I
48747.3152 0.0055 -7.5255 3 26.9142 87 89502 3031411 4 1410 4 a-Alanine, conf. I
48747.3173 0.0055 -6.1683 3 26.9142 87 89502 3031411 3 1410 4 a-Alanine, conf. I
48747.4080 0.0055 -6.1683 3 26.9142 87 89502 3031411 4 1410 5 a-Alanine, conf. I
48747.4101 0.0055 -7.5255 3 26.9142 87 89502 3031411 3 1410 5 a-Alanine, conf. I
48767.3678 0.0637 -5.7592 3 64.5246147 89502 303241212 241113 a-Alanine, conf. I
48839.6329 0.0455 -7.2394 3 69.1699153 89502 303251213 251115 a-Alanine, conf. I
48929.8108 0.0053 -6.2756 3 24.3576 81 89502 3031311 2 1310 3 a-Alanine, conf. I
48929.8264 0.0053 -6.2756 3 24.3576 81 89502 3031311 3 1310 4 a-Alanine, conf. I
48951.1998 0.9559 -5.6749 3 223.4188279 89502 303461828 461729 a-Alanine, conf. I
49042.6507 0.0022 -7.1225 3 11.5414 57 89502 303 9 8 2 8 8 1 a-Alanine, conf. I
49042.6644 0.0022 -7.1225 3 11.5414 57 89502 303 9 8 1 8 8 0 a-Alanine, conf. I
49055.9338 0.0016 -7.2111 3 4.3032 45 89502 303 7 3 4 6 2 4 a-Alanine, conf. I
49074.5412 0.0060 -6.4332 3 21.9881 75 89502 3031211 1 1210 2 a-Alanine, conf. I
49074.5433 0.0060 -6.4332 3 21.9881 75 89502 3031211 2 1210 3 a-Alanine, conf. I
49094.2910 0.0203 -7.4467 3 28.5050111 89502 30318 216 18 217 a-Alanine, conf. I
49094.3034 0.0203 -6.2442 3 28.5050111 89502 30318 216 18 117 a-Alanine, conf. I
49094.8245 0.0203 -6.2442 3 28.5050111 89502 30318 316 18 217 a-Alanine, conf. I
49094.8369 0.0203 -7.4467 3 28.5050111 89502 30318 316 18 117 a-Alanine, conf. I
49170.6092 0.1154 -7.5231 3 127.8370183 89502 3033024 6 2925 5 a-Alanine, conf. I
49170.6092 0.1154 -7.5231 3 127.8370183 89502 3033024 7 2925 4 a-Alanine, conf. I
49177.3696 0.0016 -6.8430 3 10.3706 57 89502 303 9 7 3 8 7 2 a-Alanine, conf. I
49178.1808 0.0016 -6.8430 3 10.3706 57 89502 303 9 7 2 8 7 1 a-Alanine, conf. I
49187.5812 0.0071 -6.7144 3 19.8045 69 89502 3031111 0 1110 1 a-Alanine, conf. I
49187.5814 0.0071 -6.7144 3 19.8045 69 89502 3031111 1 1110 2 a-Alanine, conf. I
49194.6514 0.0885 -7.1133 3 81.1755171 89502 303281019 28 820 a-Alanine, conf. I
49202.5195 0.0013 -6.4846 3 7.1240 57 89502 303 9 2 7 8 2 6 a-Alanine, conf. I
49229.2338 0.0143 -6.5937 3 12.0136 69 89502 30311 4 7 10 5 6 a-Alanine, conf. I
49235.1728 0.3514 -7.2358 3 110.6817195 89502 303321419 321319 a-Alanine, conf. I
49269.7167 0.0416 -7.1366 3 68.5617141 89502 3032316 8 2217 5 a-Alanine, conf. I
49269.7168 0.0416 -7.1366 3 68.5617141 89502 3032316 7 2217 6 a-Alanine, conf. I
49295.2859 0.0011 -7.2830 3 3.4302 39 89502 303 6 4 3 5 3 3 a-Alanine, conf. I
49382.2338 0.0015 -6.6894 3 9.3614 57 89502 303 9 6 4 8 6 3 a-Alanine, conf. I
49388.5432 0.0017 -6.5302 3 7.8236 57 89502 303 9 4 6 8 4 5 a-Alanine, conf. I
49393.0596 0.0732 -7.2954 3 84.3409171 89502 303281216 281118 a-Alanine, conf. I
49401.6330 0.0468 -5.7487 3 64.5010147 89502 303241213 241114 a-Alanine, conf. I
49406.1580 0.0016 -6.6889 3 9.3616 57 89502 303 9 6 3 8 6 2 a-Alanine, conf. I
49407.3424 0.3212 -7.5463 3 93.7118189 89502 30331 724 301021 a-Alanine, conf. I
49433.2511 0.0075 -6.3755 3 9.4710 63 89502 30310 3 7 9 4 6 a-Alanine, conf. I
49464.6388 0.0020 -7.3204 3 3.9824 45 89502 303 7 2 5 6 1 5 a-Alanine, conf. I
49474.7612 0.0445 -7.2274 3 64.5010147 89502 303241212 241114 a-Alanine, conf. I
49502.9096 0.0011 -6.2591 3 3.4302 39 89502 303 6 4 2 5 3 3 a-Alanine, conf. I
49580.2194 0.0990 -5.6592 3 101.1453189 89502 303311220 311121 a-Alanine, conf. I
49594.7646 4.6298 -7.3430 3 326.6991339 89502 303562036 562037 a-Alanine, conf. I
49611.2656 0.0018 -6.5892 3 8.5161 57 89502 303 9 5 5 8 5 4 a-Alanine, conf. I
49627.0299 0.0437 -7.0807 3 25.1277 99 89502 30316 512 15 6 9 a-Alanine, conf. I
49825.5081 0.0013 -5.8866 3 8.0950 63 89502 30310 1 9 9 2 8 a-Alanine, conf. I
49827.3216 0.1370 -5.6730 3 93.7118183 89502 303301120 301021 a-Alanine, conf. I
49836.8023 0.0482 -7.2258 3 60.0399141 89502 303231212 231112 a-Alanine, conf. I
49863.3786 0.0474 -5.7660 3 60.0399141 89502 303231211 231112 a-Alanine, conf. I
49870.1194 0.0013 -6.4136 3 8.0950 63 89502 30310 2 9 9 2 8 a-Alanine, conf. I
49888.7937 0.1307 -7.5444 3 137.2665189 89502 3033125 6 3026 5 a-Alanine, conf. I
49888.7937 0.1307 -7.5444 3 137.2665189 89502 3033125 7 3026 4 a-Alanine, conf. I
49899.5960 0.0277 -6.5167 3 23.9690105 89502 30317 116 17 017 a-Alanine, conf. I
49899.6320 0.0277 -6.5167 3 23.9690105 89502 30317 216 17 117 a-Alanine, conf. I
49903.0470 0.7733 -5.6496 3 150.2570231 89502 303381325 381226 a-Alanine, conf. I
49909.1523 1.2773 -5.6606 3 211.3723273 89502 303451629 451530 a-Alanine, conf. I
49918.6958 0.0136 -7.4186 3 12.4782 69 89502 30311 5 6 11 2 9 a-Alanine, conf. I
49922.2286 0.4253 -5.7160 3 294.6077321 89502 303532033 531934 a-Alanine, conf. I
49923.6305 0.1135 -5.7279 3 74.4221165 89502 30327 919 27 820 a-Alanine, conf. I
49927.7708 0.1547 -7.2101 3 85.9885171 89502 303281316 281216 a-Alanine, conf. I
49937.3771 0.0013 -6.4122 3 8.0913 63 89502 30310 1 9 9 1 8 a-Alanine, conf. I
49943.5562 0.0177 -6.7410 3 24.1670 93 89502 30315 7 9 14 8 6 a-Alanine, conf. I
49954.9015 0.0472 -7.1574 3 75.4710147 89502 3032417 7 2318 6 a-Alanine, conf. I
49954.9015 0.0472 -7.1574 3 75.4710147 89502 3032417 8 2318 5 a-Alanine, conf. I
49965.6758 0.0025 -6.5828 3 8.5214 57 89502 303 9 5 4 8 5 3 a-Alanine, conf. I
49981.4651 0.2040 -7.5021 3 66.3176153 89502 303251015 25 917 a-Alanine, conf. I
49981.9884 0.0014 -5.8835 3 8.0913 63 89502 30310 2 9 9 1 8 a-Alanine, conf. I
49982.9150 0.7161 -7.0961 3 134.4491219 89502 303361224 361225 a-Alanine, conf. I
50010.4204 0.0249 -6.9250 3 22.2388 93 89502 30315 511 14 6 8 a-Alanine, conf. I
50016.6588 0.1287 -7.3972 3 61.3662147 89502 303241015 24 816 a-Alanine, conf. I
50062.6390 0.0295 -7.2036 3 41.7838129 89502 30321 417 21 418 a-Alanine, conf. I
50063.4094 0.0295 -5.9593 3 41.7837129 89502 30321 417 21 318 a-Alanine, conf. I
50078.2324 0.0292 -5.9590 3 41.7838129 89502 30321 517 21 418 a-Alanine, conf. I
50079.0029 0.0292 -7.2033 3 41.7837129 89502 30321 517 21 318 a-Alanine, conf. I
50103.0420 0.0709 -7.1077 3 57.1017147 89502 30324 618 24 619 a-Alanine, conf. I
50120.4454 0.0705 -5.8150 3 57.1011147 89502 30324 618 24 519 a-Alanine, conf. I
50134.5401 0.0404 -5.7615 3 60.0300141 89502 303231212 231113 a-Alanine, conf. I
50140.2632 0.1061 -7.0776 3 74.4148165 89502 30327 919 27 720 a-Alanine, conf. I
50156.7228 0.6855 -5.6398 3 162.0818237 89502 303391623 391524 a-Alanine, conf. I
50161.1164 0.0396 -7.2207 3 60.0300141 89502 303231211 231113 a-Alanine, conf. I
50161.3155 0.2931 -5.6549 3 110.6817195 89502 303321418 321319 a-Alanine, conf. I
50214.7563 0.1410 -5.6848 3 85.9885171 89502 303281315 281216 a-Alanine, conf. I
50290.2501 7.6314 -7.4872 3 426.1763387 89502 303642341 642342 a-Alanine, conf. I
50319.9184 0.0656 -5.8117 3 57.1017147 89502 30324 718 24 619 a-Alanine, conf. I
50337.3219 0.0652 -7.1039 3 57.1011147 89502 30324 718 24 519 a-Alanine, conf. I
50342.2372 1.2872 -5.7020 3 282.6153315 89502 303521933 521834 a-Alanine, conf. I
50344.7924 0.6826 -5.7213 3 305.0793327 89502 303542034 541935 a-Alanine, conf. I
50491.6656 0.1996 -7.4040 3 77.6100165 89502 303271116 271018 a-Alanine, conf. I
50498.0005 1.0883 -5.6756 3 252.9453297 89502 303491930 491831 a-Alanine, conf. I
50540.0140 0.0585 -7.3932 3 58.5464147 89502 30324 717 231014 a-Alanine, conf. I
50603.2519 0.0224 -6.7568 3 28.2097 99 89502 30316 8 9 15 9 6 a-Alanine, conf. I
50646.1257 0.0536 -7.1783 3 82.7181153 89502 3032518 7 2419 6 a-Alanine, conf. I
50646.1257 0.0536 -7.1783 3 82.7181153 89502 3032518 8 2419 5 a-Alanine, conf. I
50682.5184 0.0425 -7.1553 3 88.0794177 89502 303291119 29 920 a-Alanine, conf. I
50689.5945 0.0367 -7.2219 3 55.7606135 89502 303221211 221111 a-Alanine, conf. I
50698.5904 0.0364 -5.7802 3 55.7606135 89502 303221210 221111 a-Alanine, conf. I
50709.1911 0.0494 -5.6407 3 102.7991189 89502 303311319 311220 a-Alanine, conf. I
50754.0337 0.0022 -6.1060 3 7.1240 57 89502 303 9 3 7 8 2 6 a-Alanine, conf. I
50806.2506 0.0338 -5.7784 3 55.7567135 89502 303221211 221112 a-Alanine, conf. I
50815.2465 0.0335 -7.2199 3 55.7567135 89502 303221210 221112 a-Alanine, conf. I
50864.0355 0.0635 -5.6474 3 96.9823183 89502 303301318 301219 a-Alanine, conf. I
51035.0494 0.0511 -5.6301 3 108.7965195 89502 303321320 321221 a-Alanine, conf. I
51048.2884 0.0065 -7.3806 3 13.1811 69 89502 30311 6 5 11 3 8 a-Alanine, conf. I
51052.7860 0.0266 -6.7481 3 28.2094 99 89502 30316 8 8 15 9 7 a-Alanine, conf. I
51069.0700 0.0257 -6.7805 3 32.5929105 89502 30317 9 9 1610 6 a-Alanine, conf. I
51094.5455 0.5207 -7.2173 3 131.7032213 89502 303351521 351421 a-Alanine, conf. I
51123.0270 0.3909 -7.5142 3 93.6549189 89502 30331 824 30 921 a-Alanine, conf. I
51175.7428 0.0271 -6.7785 3 32.5928105 89502 30317 9 8 1610 7 a-Alanine, conf. I
51216.8689 0.2837 -7.4503 3 66.1250159 89502 30326 720 25 817 a-Alanine, conf. I
51226.6848 0.0222 -7.2719 3 36.5442123 89502 30320 317 20 318 a-Alanine, conf. I
51226.7547 0.0222 -6.0511 3 36.5442123 89502 30320 317 20 218 a-Alanine, conf. I
51228.7030 0.0222 -6.0510 3 36.5442123 89502 30320 417 20 318 a-Alanine, conf. I
51228.7728 0.0222 -7.2719 3 36.5442123 89502 30320 417 20 218 a-Alanine, conf. I
51248.3415 0.1432 -5.6780 3 86.4761177 89502 303291020 29 921 a-Alanine, conf. I
51285.8573 0.1079 -7.2204 3 82.6302171 89502 303281118 28 919 a-Alanine, conf. I
51335.8092 0.0020 -5.7141 3 8.8122 69 89502 30311 011 10 110 a-Alanine, conf. I
51336.1326 0.0020 -6.3259 3 8.8122 69 89502 30311 111 10 110 a-Alanine, conf. I
51336.7618 0.0020 -6.3259 3 8.8122 69 89502 30311 011 10 010 a-Alanine, conf. I
51337.0852 0.0020 -5.7141 3 8.8122 69 89502 30311 111 10 010 a-Alanine, conf. I
51342.1511 0.0609 -7.1992 3 90.3029159 89502 3032619 7 2520 6 a-Alanine, conf. I
51342.1511 0.0609 -7.1992 3 90.3029159 89502 3032619 8 2520 5 a-Alanine, conf. I
51344.2032 0.1071 -7.0625 3 67.8334159 89502 30326 719 26 720 a-Alanine, conf. I
51355.7920 0.0286 -7.2263 3 51.6817129 89502 303211210 211110 a-Alanine, conf. I
51358.6119 0.0285 -5.8007 3 51.6817129 89502 3032112 9 211110 a-Alanine, conf. I
51370.8837 0.0726 -5.6517 3 91.3529177 89502 303291317 291218 a-Alanine, conf. I
51387.4538 0.1057 -5.7479 3 67.8319159 89502 30326 719 26 620 a-Alanine, conf. I
51398.2537 0.0276 -5.8001 3 51.6803129 89502 303211210 211111 a-Alanine, conf. I
51401.0736 0.0275 -7.2256 3 51.6803129 89502 3032112 9 211111 a-Alanine, conf. I
51425.7060 0.2903 -7.4683 3 88.1855183 89502 30330 723 291020 a-Alanine, conf. I
51463.6376 0.0039 -6.4880 3 7.8848 57 89502 303 9 4 5 8 4 4 a-Alanine, conf. I
51518.7929 0.6058 -5.6335 3 134.3979219 89502 303361224 361125 a-Alanine, conf. I
51524.9880 0.1464 -5.6314 3 107.0778195 89502 303321221 321122 a-Alanine, conf. I
51532.9206 3.1721 -7.2315 3 270.8606309 89502 303511833 511834 a-Alanine, conf. I
51534.6848 0.0722 -7.0936 3 93.6549183 89502 303301120 30 921 a-Alanine, conf. I
51537.0268 0.0285 -6.8053 3 37.3153111 89502 3031810 9 1711 6 a-Alanine, conf. I
51559.7862 0.0288 -6.8048 3 37.3153111 89502 3031810 8 1711 7 a-Alanine, conf. I
51578.2643 0.0285 -6.7063 3 24.1652 93 89502 30315 7 8 14 8 7 a-Alanine, conf. I
51656.2808 1.6070 -5.6707 3 260.9561303 89502 303501832 501733 a-Alanine, conf. I
51676.3126 1.2544 -7.1062 3 174.7219249 89502 303411427 411428 a-Alanine, conf. I
51696.2733 0.1252 -7.0519 3 86.4611177 89502 303291020 29 821 a-Alanine, conf. I
51697.0583 0.1745 -7.3172 3 89.7700177 89502 303291217 291119 a-Alanine, conf. I
51753.1540 0.8861 -5.6253 3 187.3627255 89502 303421725 421626 a-Alanine, conf. I
51754.3091 0.5007 -7.0517 3 119.4067207 89502 303341123 341124 a-Alanine, conf. I
51803.7072 0.0934 -5.7412 3 67.8334159 89502 30326 819 26 720 a-Alanine, conf. I
51846.9578 0.0920 -7.0547 3 67.8319159 89502 30326 819 26 620 a-Alanine, conf. I
51852.8137 0.0475 -7.1160 3 51.1772141 89502 30323 518 23 519 a-Alanine, conf. I
51855.3380 0.0474 -5.8522 3 51.1772141 89502 30323 518 23 419 a-Alanine, conf. I
51883.0209 0.1070 -7.1729 3 80.7106165 89502 303271315 271215 a-Alanine, conf. I
51893.5576 0.0225 -7.2383 3 47.7999123 89502 3032012 9 2011 9 a-Alanine, conf. I
51893.9014 0.0466 -5.8516 3 51.1772141 89502 30323 618 23 519 a-Alanine, conf. I
51894.3698 0.0224 -5.8274 3 47.7999123 89502 3032012 8 2011 9 a-Alanine, conf. I
51896.4257 0.0465 -7.1153 3 51.1772141 89502 30323 618 23 419 a-Alanine, conf. I
51907.8510 0.0221 -5.8272 3 47.7995123 89502 3032012 9 201110 a-Alanine, conf. I
51908.6633 0.0221 -7.2381 3 47.7995123 89502 3032012 8 201110 a-Alanine, conf. I
51922.1621 0.0028 -6.4383 3 7.4833 57 89502 303 9 3 6 8 3 5 a-Alanine, conf. I
51934.1913 0.0882 -5.6145 3 114.9669201 89502 303331321 331222 a-Alanine, conf. I
51950.9224 0.0022 -6.0108 3 8.8170 63 89502 30310 2 8 9 3 7 a-Alanine, conf. I
51992.6214 0.3054 -5.7256 3 328.3534339 89502 303562135 562036 a-Alanine, conf. I
52000.6124 0.1016 -5.6740 3 80.7106165 89502 303271314 271215 a-Alanine, conf. I
52005.9705 0.0071 -7.2073 3 15.3866 75 89502 30312 6 6 12 3 9 a-Alanine, conf. I
52031.1757 0.0480 -7.1937 3 91.3529177 89502 303291316 291218 a-Alanine, conf. I
52042.0198 0.0692 -7.2204 3 98.2254165 89502 3032720 7 2621 6 a-Alanine, conf. I
52042.0198 0.0692 -7.2204 3 98.2254165 89502 3032720 8 2621 5 a-Alanine, conf. I
52051.3658 0.0312 -6.8294 3 42.3764117 89502 3031911 9 1812 6 a-Alanine, conf. I
52055.8347 0.0313 -6.8293 3 42.3764117 89502 3031911 8 1812 7 a-Alanine, conf. I
52080.5536 1.2004 -5.6828 3 284.2945315 89502 303522032 521933 a-Alanine, conf. I
52092.5177 0.0738 -5.6553 3 85.9163171 89502 303281316 281217 a-Alanine, conf. I
52095.5155 1.1871 -5.6278 3 192.5935261 89502 303431528 431429 a-Alanine, conf. I
52182.2944 0.0250 -7.3972 3 31.5274117 89502 30319 217 19 218 a-Alanine, conf. I
52182.2986 0.0250 -6.1971 3 31.5274117 89502 30319 217 19 118 a-Alanine, conf. I
52182.4887 0.0250 -6.1971 3 31.5274117 89502 30319 317 19 218 a-Alanine, conf. I
52182.4929 0.0250 -7.3972 3 31.5274117 89502 30319 317 19 118 a-Alanine, conf. I
52216.6133 2.0554 -7.1521 3 220.1968279 89502 303461630 461631 a-Alanine, conf. I
52252.9928 0.1587 -7.0342 3 79.4325171 89502 30328 820 28 821 a-Alanine, conf. I
52294.1010 0.0490 -7.2163 3 96.9823183 89502 303301317 301219 a-Alanine, conf. I
52335.9346 0.0175 -7.2582 3 44.1128117 89502 3031912 8 1911 8 a-Alanine, conf. I
52336.1474 0.0175 -5.8607 3 44.1128117 89502 3031912 7 1911 8 a-Alanine, conf. I
52340.3535 0.0174 -5.8606 3 44.1127117 89502 3031912 8 1911 9 a-Alanine, conf. I
52340.5663 0.0174 -7.2581 3 44.1127117 89502 3031912 7 1911 9 a-Alanine, conf. I
52352.2124 0.1547 -5.6965 3 79.4292171 89502 30328 820 28 721 a-Alanine, conf. I
52354.5605 0.4218 -5.6148 3 131.7032213 89502 303351520 351421 a-Alanine, conf. I
52379.5032 0.0618 -7.1731 3 85.9163171 89502 303281315 281217 a-Alanine, conf. I
52553.3213 0.2407 -7.1682 3 104.5874189 89502 303311418 311318 a-Alanine, conf. I
52580.1210 0.1715 -5.6360 3 99.3914189 89502 303311121 311022 a-Alanine, conf. I
52588.0929 0.4477 -5.6286 3 119.3789207 89502 303341123 341024 a-Alanine, conf. I
52610.0301 0.0341 -6.8528 3 47.7760123 89502 3032012 9 1913 6 a-Alanine, conf. I
52610.8499 0.0341 -6.8528 3 47.7760123 89502 3032012 8 1913 7 a-Alanine, conf. I
52613.7803 0.3431 -7.0276 3 105.2218195 89502 303321022 321023 a-Alanine, conf. I
52635.7866 0.1538 -7.2942 3 43.2160129 89502 30321 616 20 713 a-Alanine, conf. I
52702.8725 0.0135 -7.2867 3 40.6184111 89502 3031812 7 1811 7 a-Alanine, conf. I
52702.9225 0.0135 -5.9015 3 40.6184111 89502 3031812 6 1811 7 a-Alanine, conf. I
52704.1150 0.0135 -5.9015 3 40.6184111 89502 3031812 7 1811 8 a-Alanine, conf. I
52704.1650 0.0135 -7.2867 3 40.6184111 89502 3031812 6 1811 8 a-Alanine, conf. I
52710.2322 0.7477 -7.2106 3 154.5580231 89502 303381623 381523 a-Alanine, conf. I
52720.5624 0.0016 -6.3868 3 8.8170 63 89502 30310 3 8 9 3 7 a-Alanine, conf. I
52723.7085 0.2335 -7.0223 3 91.8962183 89502 30330 921 30 922 a-Alanine, conf. I
52744.9781 0.0787 -7.2417 3 106.4855171 89502 3032821 7 2722 6 a-Alanine, conf. I
52744.9781 0.0787 -7.2417 3 106.4855171 89502 3032821 8 2722 5 a-Alanine, conf. I
52767.7411 0.0011 -7.2929 3 4.0236 45 89502 303 7 3 5 6 2 5 a-Alanine, conf. I
52784.9119 0.0015 -6.2071 3 4.5962 45 89502 303 7 4 4 6 3 3 a-Alanine, conf. I
52908.2417 0.0692 -5.6598 3 80.6764165 89502 303271315 271216 a-Alanine, conf. I
52936.7432 0.2235 -5.6597 3 91.8891183 89502 30330 921 30 822 a-Alanine, conf. I
52972.2329 0.2149 -5.6240 3 104.5874189 89502 303311417 311318 a-Alanine, conf. I
52974.7965 0.0336 -6.4704 3 26.7379111 89502 30318 117 18 018 a-Alanine, conf. I
52974.8088 0.0336 -6.4704 3 26.7379111 89502 30318 217 18 118 a-Alanine, conf. I
52985.3441 1.0734 -5.7270 3 339.3943345 89502 303572136 572037 a-Alanine, conf. I
53007.6284 0.0103 -7.3255 3 37.3153105 89502 3031712 6 1711 6 a-Alanine, conf. I
53007.6388 0.0103 -5.9517 3 37.3153105 89502 3031712 5 1711 6 a-Alanine, conf. I
53007.9420 0.0102 -5.9517 3 37.3153105 89502 3031712 6 1711 7 a-Alanine, conf. I
53007.9524 0.0102 -7.3255 3 37.3153105 89502 3031712 5 1711 7 a-Alanine, conf. I
53025.8331 0.0643 -7.1557 3 80.6764165 89502 303271314 271216 a-Alanine, conf. I
53045.9666 0.3193 -5.6371 3 105.2073195 89502 303321022 32 923 a-Alanine, conf. I
53164.8395 0.1263 -5.6838 3 79.4325171 89502 30328 920 28 821 a-Alanine, conf. I
53196.2538 0.2535 -7.3961 3 82.8165177 89502 30329 722 281019 a-Alanine, conf. I
53202.9189 0.0373 -6.8756 3 53.5139129 89502 3032113 9 2014 6 a-Alanine, conf. I
53203.0610 0.0373 -6.8756 3 53.5139129 89502 3032113 8 2014 7 a-Alanine, conf. I
53218.3329 0.0322 -7.1525 3 45.4651135 89502 30322 418 22 419 a-Alanine, conf. I
53218.6228 0.0322 -5.9135 3 45.4651135 89502 30322 418 22 319 a-Alanine, conf. I
53224.6657 0.0320 -5.9134 3 45.4651135 89502 30322 518 22 419 a-Alanine, conf. I
53224.9556 0.0320 -7.1524 3 45.4651135 89502 30322 518 22 319 a-Alanine, conf. I
53259.9374 0.0079 -7.3775 3 34.2019 99 89502 3031612 5 1611 5 a-Alanine, conf. I
53259.9392 0.0079 -6.0142 3 34.2019 99 89502 3031612 4 1611 5 a-Alanine, conf. I
53260.0071 0.0079 -6.0142 3 34.2019 99 89502 3031612 5 1611 6 a-Alanine, conf. I
53260.0090 0.0079 -7.3775 3 34.2019 99 89502 3031612 4 1611 6 a-Alanine, conf. I
53264.0591 0.1224 -7.0190 3 79.4292171 89502 30328 920 28 721 a-Alanine, conf. I
53269.7987 1.1129 -5.6192 3 214.4734273 89502 303451827 451728 a-Alanine, conf. I
53275.0689 0.0777 -7.1502 3 75.6502159 89502 303261314 261214 a-Alanine, conf. I
53320.4671 0.0758 -5.6730 3 75.6502159 89502 303261313 261214 a-Alanine, conf. I
53334.3700 0.0306 -6.6340 3 20.4598 87 89502 30314 6 8 13 7 7 a-Alanine, conf. I
53442.4776 0.1443 -5.5939 3 121.3031207 89502 303341322 341223 a-Alanine, conf. I
53450.4239 0.0893 -7.2633 3 115.0832177 89502 3032922 7 2823 6 a-Alanine, conf. I
53450.4239 0.0893 -7.2633 3 115.0832177 89502 3032922 8 2823 5 a-Alanine, conf. I
53455.0784 0.1308 -7.0346 3 99.3622189 89502 303311121 31 922 a-Alanine, conf. I
53463.9923 0.0730 -7.0512 3 61.4452153 89502 30325 619 25 620 a-Alanine, conf. I
53467.5264 0.0068 -7.4479 3 31.2773 93 89502 3031512 4 1511 4 a-Alanine, conf. I
53467.5267 0.0068 -6.0944 3 31.2773 93 89502 3031512 3 1511 4 a-Alanine, conf. I
53467.5397 0.0068 -6.0944 3 31.2773 93 89502 3031512 4 1511 5 a-Alanine, conf. I
53467.5400 0.0068 -7.4479 3 31.2773 93 89502 3031512 3 1511 5 a-Alanine, conf. I
53471.2135 0.0728 -5.7679 3 61.4450153 89502 30325 619 25 520 a-Alanine, conf. I
53482.1047 1.7640 -5.6982 3 315.6794333 89502 303552035 551936 a-Alanine, conf. I
53485.3501 0.0012 -7.1524 3 4.5962 45 89502 303 7 4 3 6 3 3 a-Alanine, conf. I
53502.4366 0.0017 -6.3697 3 8.7652 63 89502 30310 2 8 9 2 7 a-Alanine, conf. I
53523.3310 0.0711 -7.3022 3 63.0346153 89502 30325 718 241015 a-Alanine, conf. I
53543.0856 0.0019 -7.3069 3 2.5172 39 89502 303 6 2 4 5 1 5 a-Alanine, conf. I
53562.1168 0.0703 -5.7665 3 61.4452153 89502 30325 719 25 620 a-Alanine, conf. I
53569.3380 0.0700 -7.0496 3 61.4450153 89502 30325 719 25 520 a-Alanine, conf. I
53592.9762 0.1785 -7.2894 3 77.3062165 89502 303271117 27 918 a-Alanine, conf. I
53603.6889 0.0106 -6.6396 3 23.0724 93 89502 30315 610 14 7 7 a-Alanine, conf. I
53612.2557 0.1331 -7.2399 3 102.7991189 89502 303311318 311220 a-Alanine, conf. I
53636.8440 0.0068 -6.2021 3 28.5402 87 89502 3031412 2 1411 3 a-Alanine, conf. I
53636.8461 0.0068 -6.2021 3 28.5402 87 89502 3031412 3 1411 4 a-Alanine, conf. I
53712.6431 0.0014 -6.0396 3 3.9795 39 89502 303 6 5 2 5 4 1 a-Alanine, conf. I
53714.2869 1.2813 -5.6961 3 317.4633333 89502 303552134 552035 a-Alanine, conf. I
53719.3134 0.0014 -7.1480 3 3.9795 39 89502 303 6 5 1 5 4 1 a-Alanine, conf. I
53728.7824 0.0616 -5.6667 3 75.6351159 89502 303261314 261215 a-Alanine, conf. I
53735.9605 5.5468 -7.3332 3 362.1207357 89502 303592138 592139 a-Alanine, conf. I
53756.2431 0.0013 -7.1476 3 3.9780 39 89502 303 6 5 2 5 4 2 a-Alanine, conf. I
53762.9134 0.0013 -6.0391 3 3.9780 39 89502 303 6 5 1 5 4 2 a-Alanine, conf. I
53773.4326 0.0078 -6.3602 3 25.9898 81 89502 3031312 1 1311 2 a-Alanine, conf. I
53773.4329 0.0078 -6.3602 3 25.9898 81 89502 3031312 2 1311 3 a-Alanine, conf. I
53774.1806 0.0597 -7.1428 3 75.6351159 89502 303261313 261215 a-Alanine, conf. I
53810.0435 1.6593 -5.6324 3 240.1029291 89502 303481731 481632 a-Alanine, conf. I
53821.2631 0.0409 -6.8981 3 59.5900135 89502 3032214 9 2115 6 a-Alanine, conf. I
53821.2866 0.0409 -6.8981 3 59.5900135 89502 3032214 8 2115 7 a-Alanine, conf. I
53882.1390 0.0092 -6.6422 3 23.6250 75 89502 3031212 0 1211 1 a-Alanine, conf. I
53882.1390 0.0092 -6.6422 3 23.6250 75 89502 3031212 1 1211 2 a-Alanine, conf. I
53924.3732 0.1531 -7.4767 3 56.7476141 89502 303231014 23 815 a-Alanine, conf. I
53984.5788 0.1941 -5.6001 3 113.1662201 89502 303331222 331123 a-Alanine, conf. I
54091.0677 1.0438 -7.2145 3 179.2447249 89502 303411725 411625 a-Alanine, conf. I
54154.4854 0.2352 -5.7409 3 363.9132357 89502 303592237 592138 a-Alanine, conf. I
54157.8696 0.1011 -7.2853 3 124.0185183 89502 3033023 7 2924 6 a-Alanine, conf. I
54157.8696 0.1011 -7.2853 3 124.0185183 89502 3033023 8 2924 5 a-Alanine, conf. I
54158.7832 0.0606 -5.5814 3 123.0858207 89502 303341421 341322 a-Alanine, conf. I
54224.2220 0.9983 -5.5980 3 174.6369249 89502 303411427 411328 a-Alanine, conf. I
54239.6431 0.0797 -5.5857 3 116.6992201 89502 303331420 331321 a-Alanine, conf. I
54272.0765 0.0023 -5.9595 3 8.7652 63 89502 30310 3 8 9 2 7 a-Alanine, conf. I
54310.8826 0.0593 -7.1379 3 70.7990153 89502 303251313 251213 a-Alanine, conf. I
54327.3614 0.0586 -5.6793 3 70.7990153 89502 303251312 251213 a-Alanine, conf. I
54336.3639 0.0261 -7.2239 3 39.9713129 89502 30321 318 21 319 a-Alanine, conf. I
54336.3888 0.0261 -6.0066 3 39.9713129 89502 30321 318 21 219 a-Alanine, conf. I
54337.1344 0.0261 -6.0066 3 39.9713129 89502 30321 418 21 319 a-Alanine, conf. I
54337.1593 0.0261 -7.2239 3 39.9713129 89502 30321 418 21 219 a-Alanine, conf. I
54380.6499 0.5870 -5.5864 3 154.5580231 89502 303381622 381523 a-Alanine, conf. I
54391.9680 0.0360 -5.7561 3 9.7585 69 -89502 30311 110 10 2 9 a-Alanine, conf. I
54409.1460 0.0700 -6.2973 3 9.7585 69 -89502 30311 210 10 2 9 a-Alanine, conf. I
54431.0717 0.1630 -5.6370 3 91.8962183 89502 303301021 30 922 a-Alanine, conf. I
54436.5590 0.0310 -6.2968 3 9.7570 69 -89502 30311 110 10 1 9 a-Alanine, conf. I
54453.7500 0.0280 -5.7550 3 9.7570 69 -89502 30311 210 10 1 9 a-Alanine, conf. I
54458.6857 0.0449 -6.9202 3 66.0040141 89502 3032315 9 2216 6 a-Alanine, conf. I
54458.6894 0.0449 -6.9202 3 66.0040141 89502 3032315 8 2216 7 a-Alanine, conf. I
54477.5885 0.0030 -7.0350 3 14.5048 63 89502 30310 9 2 9 9 1 a-Alanine, conf. I
54477.5901 0.0030 -7.0350 3 14.5048 63 89502 30310 9 1 9 9 0 a-Alanine, conf. I
54491.0331 0.9125 -7.0385 3 157.5593237 89502 303391326 391327 a-Alanine, conf. I
54499.0465 0.0529 -5.6767 3 70.7928153 89502 303251313 251214 a-Alanine, conf. I
54515.5253 0.0523 -7.1349 3 70.7928153 89502 303251312 251214 a-Alanine, conf. I
54538.0564 0.2107 -7.3343 3 77.6100171 89502 30328 721 271018 a-Alanine, conf. I
54553.6512 0.0513 -7.0804 3 106.9768195 89502 303321221 321022 a-Alanine, conf. I
54597.8394 0.0729 -5.5728 3 129.6512213 89502 303351422 351323 a-Alanine, conf. I
54603.0738 0.0022 -6.7527 3 13.1773 63 89502 30310 8 3 9 8 2 a-Alanine, conf. I
54603.1878 0.0022 -6.7527 3 13.1773 63 89502 30310 8 2 9 8 1 a-Alanine, conf. I
54625.5797 0.3994 -7.4096 3 88.0794183 89502 30330 823 29 920 a-Alanine, conf. I
54644.1064 0.1532 -6.9942 3 91.8891183 89502 303301021 30 822 a-Alanine, conf. I
54658.4550 0.0021 -6.3825 3 9.4710 63 89502 30310 4 7 9 4 6 a-Alanine, conf. I
54718.3260 0.0958 -5.5871 3 110.4988195 89502 303321419 321320 a-Alanine, conf. I
54732.2110 1.3612 -5.6209 3 243.4115291 89502 303481929 481830 a-Alanine, conf. I
54751.9597 0.4759 -7.4696 3 119.4067213 89502 30335 827 341124 a-Alanine, conf. I
54789.0172 0.0020 -6.5961 3 12.0110 63 89502 30310 7 4 9 7 3 a-Alanine, conf. I
54793.1921 0.0020 -6.5961 3 12.0110 63 89502 30310 7 3 9 7 2 a-Alanine, conf. I
54866.9153 0.1143 -7.3076 3 133.2913189 89502 3033124 7 3025 6 a-Alanine, conf. I
54866.9153 0.1143 -7.3076 3 133.2913189 89502 3033124 8 3025 5 a-Alanine, conf. I
54869.0178 0.1078 -7.0041 3 72.5846165 89502 30327 720 27 721 a-Alanine, conf. I
54887.6564 0.1071 -5.7010 3 72.5840165 89502 30327 720 27 621 a-Alanine, conf. I
54895.2754 0.1665 -7.1222 3 98.7267183 89502 303301417 301317 a-Alanine, conf. I
54932.1713 0.1300 -7.1390 3 100.9668189 89502 303311220 311021 a-Alanine, conf. I
54964.3871 0.3622 -7.1400 3 125.0187207 89502 303341520 341420 a-Alanine, conf. I
54982.0289 0.1141 -7.2746 3 67.7120159 89502 30326 719 251016 a-Alanine, conf. I
55055.8854 0.0024 -6.4914 3 11.0086 63 89502 30310 6 5 9 6 4 a-Alanine, conf. I
55063.4429 0.0502 -7.0655 3 55.2644147 89502 30324 519 24 520 a-Alanine, conf. I
55064.4327 0.0502 -5.8084 3 55.2644147 89502 30324 519 24 420 a-Alanine, conf. I
55074.6636 0.1559 -5.6059 3 98.7267183 89502 303301416 301317 a-Alanine, conf. I
55080.8463 0.0498 -5.8082 3 55.2644147 89502 30324 619 24 520 a-Alanine, conf. I
55081.8361 0.0498 -7.0652 3 55.2644147 89502 30324 619 24 420 a-Alanine, conf. I
55085.6504 0.1003 -5.6980 3 72.5846165 89502 30327 820 27 721 a-Alanine, conf. I
55089.6714 0.0012 -7.1532 3 4.5193 45 89502 303 7 4 4 6 3 4 a-Alanine, conf. I
55098.8294 0.0174 -7.1325 3 17.7325 81 89502 30313 6 7 13 310 a-Alanine, conf. I
55104.2890 0.0996 -7.0006 3 72.5840165 89502 30327 820 27 621 a-Alanine, conf. I
55110.6608 0.0495 -6.9422 3 72.7560147 89502 3032416 9 2317 6 a-Alanine, conf. I
55110.6613 0.0495 -6.9422 3 72.7560147 89502 3032416 8 2317 7 a-Alanine, conf. I
55119.0202 0.0468 -7.1336 3 66.1513147 89502 303241312 241212 a-Alanine, conf. I
55124.6245 0.0466 -5.6915 3 66.1513147 89502 303241311 241212 a-Alanine, conf. I
55139.9576 0.0026 -6.4901 3 11.0096 63 89502 30310 6 4 9 6 3 a-Alanine, conf. I
55192.1484 0.0444 -5.6905 3 66.1489147 89502 303241312 241213 a-Alanine, conf. I
55197.7527 0.0442 -7.1325 3 66.1489147 89502 303241311 241213 a-Alanine, conf. I
55222.3638 0.1632 -7.2903 3 72.5728165 89502 30327 720 261017 a-Alanine, conf. I
55241.4130 0.1161 -7.3333 3 69.1699159 89502 30326 818 251115 a-Alanine, conf. I
55241.7896 0.0026 -6.4189 3 10.1709 63 89502 30310 5 6 9 5 5 a-Alanine, conf. I
55249.0012 1.4211 -7.2280 3 205.7618267 89502 303441827 441727 a-Alanine, conf. I
55252.3223 2.0961 -5.6584 3 292.7647321 89502 303531934 531835 a-Alanine, conf. I
55268.3390 0.0305 -7.3514 3 34.7007123 89502 30320 218 20 219 a-Alanine, conf. I
55268.3404 0.0305 -6.1535 3 34.7007123 89502 30320 218 20 119 a-Alanine, conf. I
55268.4088 0.0305 -6.1535 3 34.7007123 89502 30320 318 20 219 a-Alanine, conf. I
55268.4103 0.0305 -7.3514 3 34.7007123 89502 30320 318 20 119 a-Alanine, conf. I
55410.4048 1.3202 -5.7150 3 352.4485351 89502 303582236 582137 a-Alanine, conf. I
55456.3858 0.1012 -5.5872 3 104.4906189 89502 303311418 311319 a-Alanine, conf. I
55490.2221 0.0030 -7.0685 3 5.6323 51 89502 303 8 3 5 7 2 5 a-Alanine, conf. I
55532.4729 0.2064 -5.5688 3 127.7988213 89502 303351323 351224 a-Alanine, conf. I
55554.4544 0.3165 -5.5772 3 125.0187207 89502 303341519 341420 a-Alanine, conf. I
55577.2295 0.1288 -7.3303 3 142.9015195 89502 3033225 7 3126 6 a-Alanine, conf. I
55577.2295 0.1288 -7.3303 3 142.9015195 89502 3033225 8 3126 5 a-Alanine, conf. I
55589.4219 0.5278 -7.4557 3 119.3789213 89502 30335 927 341024 a-Alanine, conf. I
55607.8711 0.1104 -7.0242 3 113.1120201 89502 303331222 331023 a-Alanine, conf. I
55636.2284 0.1290 -5.5593 3 136.3879219 89502 303361423 361324 a-Alanine, conf. I
55642.4435 0.2014 -5.5985 3 105.2218195 89502 303321122 321023 a-Alanine, conf. I
55644.4687 0.0561 -7.1452 3 110.4988195 89502 303321418 321320 a-Alanine, conf. I
55718.8847 1.5665 -5.7387 3 375.5212363 89502 303602238 602139 a-Alanine, conf. I
55773.5730 0.0375 -7.1361 3 61.7032141 89502 303231311 231211 a-Alanine, conf. I
55773.9299 0.0547 -6.9642 3 79.8459153 89502 3032517 9 2418 6 a-Alanine, conf. I
55773.9300 0.0547 -6.9642 3 79.8459153 89502 3032517 8 2418 7 a-Alanine, conf. I
55775.3502 0.0375 -5.7089 3 61.7032141 89502 303231310 231211 a-Alanine, conf. I
55790.1450 0.0380 -6.2113 3 4.5193 45 -89502 303 7 4 3 6 3 4 a-Alanine, conf. I
55800.1493 0.0367 -5.7085 3 61.7023141 89502 303231311 231212 a-Alanine, conf. I
55801.9265 0.0367 -7.1357 3 61.7023141 89502 303231310 231212 a-Alanine, conf. I
55860.2912 3.8291 -7.2110 3 303.2161327 89502 303541935 541936 a-Alanine, conf. I
55862.1769 0.0026 -5.6031 3 10.5246 75 89502 30312 012 11 111 a-Alanine, conf. I
55862.2852 0.0026 -6.2176 3 10.5246 75 89502 30312 112 11 111 a-Alanine, conf. I
55862.5003 0.0026 -6.2176 3 10.5246 75 89502 30312 012 11 011 a-Alanine, conf. I
55862.6087 0.0026 -5.6031 3 10.5246 75 89502 30312 112 11 011 a-Alanine, conf. I
55875.2975 0.0790 -7.1210 3 104.4906189 89502 303311417 311319 a-Alanine, conf. I
55882.8688 0.3268 -7.3398 3 95.3739183 89502 303301218 301120 a-Alanine, conf. I
55916.0512 0.0201 -6.5830 3 26.9400 99 89502 30316 710 15 8 7 a-Alanine, conf. I
55931.0765 0.2756 -7.3027 3 61.3662153 89502 30325 719 24 816 a-Alanine, conf. I
55939.4585 0.7803 -5.5761 3 157.5110237 89502 303391326 391227 a-Alanine, conf. I
55995.8055 0.3324 -7.4248 3 82.8165171 89502 303281117 281019 a-Alanine, conf. I
56019.1682 0.0268 -6.4965 3 17.0892 81 89502 30313 5 8 12 6 7 a-Alanine, conf. I
56024.0259 0.1551 -6.9722 3 84.5924177 89502 30329 821 29 822 a-Alanine, conf. I
56050.2019 0.0403 -6.4273 3 29.6578117 89502 30319 118 19 019 a-Alanine, conf. I
56050.2061 0.0403 -6.4273 3 29.6578117 89502 30319 218 19 119 a-Alanine, conf. I
56068.3622 0.1532 -5.6485 3 84.5909177 89502 30329 821 29 722 a-Alanine, conf. I
56074.6298 0.1781 -6.9785 3 105.2073195 89502 303321122 32 923 a-Alanine, conf. I
56093.2402 0.0045 -6.4047 3 10.1880 63 89502 30310 5 5 9 5 4 a-Alanine, conf. I
56162.1561 1.5575 -7.0624 3 200.9208267 89502 303441529 441530 a-Alanine, conf. I
56164.5581 1.6248 -5.6295 3 274.1742309 89502 303512031 511932 a-Alanine, conf. I
56172.9603 0.0862 -7.1707 3 116.6992201 89502 303331419 331321 a-Alanine, conf. I
56199.0560 1.8917 -7.2503 3 234.1071285 89502 303471929 471829 a-Alanine, conf. I
56256.3192 0.7927 -5.5684 3 179.2447249 89502 303411724 411625 a-Alanine, conf. I
56267.3555 0.6454 -6.9909 3 141.2506225 89502 303371225 371226 a-Alanine, conf. I
56269.2896 1.5127 -5.5927 3 220.0616279 89502 303461630 461531 a-Alanine, conf. I
56288.5341 0.1447 -7.3534 3 152.8492201 89502 3033326 7 3227 6 a-Alanine, conf. I
56288.5341 0.1447 -7.3534 3 152.8492201 89502 3033326 8 3227 5 a-Alanine, conf. I
56316.6470 0.0302 -7.1449 3 57.4517135 89502 303221310 221210 a-Alanine, conf. I
56317.1691 0.0302 -5.7314 3 57.4517135 89502 3032213 9 221210 a-Alanine, conf. I
56325.3409 0.0979 -5.5875 3 98.6790183 89502 303301417 301318 a-Alanine, conf. I
56325.6429 0.0300 -5.7312 3 57.4514135 89502 303221310 221211 a-Alanine, conf. I
56326.1650 0.0299 -7.1448 3 57.4514135 89502 3032213 9 221211 a-Alanine, conf. I
56359.5469 0.0354 -7.1057 3 49.2972141 89502 30323 419 23 420 a-Alanine, conf. I
56359.6545 0.0353 -5.8713 3 49.2972141 89502 30323 419 23 320 a-Alanine, conf. I
56362.0712 0.0353 -5.8713 3 49.2972141 89502 30323 519 23 420 a-Alanine, conf. I
56362.1789 0.0353 -7.1057 3 49.2972141 89502 30323 519 23 320 a-Alanine, conf. I
56404.2933 0.4332 -5.7618 3 401.2837375 89502 303622339 622240 a-Alanine, conf. I
56446.0938 0.0606 -6.9862 3 87.2736159 89502 3032618 8 2519 7 a-Alanine, conf. I
56446.0938 0.0606 -6.9862 3 87.2736159 89502 3032618 9 2519 6 a-Alanine, conf. I
56471.9578 0.1367 -5.6425 3 84.5924177 89502 30329 921 29 822 a-Alanine, conf. I
56481.9426 0.0021 -6.1539 3 5.9395 51 89502 303 8 4 5 7 3 4 a-Alanine, conf. I
56504.7290 0.0882 -7.0994 3 98.6790183 89502 303301416 301318 a-Alanine, conf. I
56516.2940 0.1348 -6.9651 3 84.5909177 89502 30329 921 29 722 a-Alanine, conf. I
56518.2027 0.2902 -7.2641 3 108.7965195 89502 303321319 321221 a-Alanine, conf. I
56564.3997 0.1203 -7.0917 3 93.0884177 89502 303291416 291316 a-Alanine, conf. I
56567.2920 0.0076 -6.0963 3 11.2942 69 89502 30311 3 8 10 4 7 a-Alanine, conf. I
56637.1693 0.1162 -5.5981 3 93.0884177 89502 303291415 291316 a-Alanine, conf. I
56650.9308 2.5090 -7.1205 3 249.4778297 89502 303491732 491733 a-Alanine, conf. I
56681.2830 0.1222 -7.0930 3 39.3387123 89502 30320 615 19 712 a-Alanine, conf. I
56707.3317 2.3389 -5.7012 3 350.5569351 89502 303582137 582038 a-Alanine, conf. I
56752.1683 0.0760 -7.0007 3 65.9389159 89502 30326 620 26 621 a-Alanine, conf. I
56755.1107 0.0759 -5.7255 3 65.9388159 89502 30326 620 26 521 a-Alanine, conf. I
56773.0812 0.0242 -7.1603 3 53.3949129 89502 3032113 9 2112 9 a-Alanine, conf. I
56773.2221 0.0242 -5.7593 3 53.3949129 89502 3032113 8 2112 9 a-Alanine, conf. I
56775.9011 0.0241 -5.7592 3 53.3948129 89502 3032113 9 211210 a-Alanine, conf. I
56776.0421 0.0241 -7.1602 3 53.3948129 89502 3032113 8 211210 a-Alanine, conf. I
56795.4189 0.0746 -5.7249 3 65.9389159 89502 30326 720 26 621 a-Alanine, conf. I
56798.3614 0.0745 -7.0001 3 65.9388159 89502 30326 720 26 521 a-Alanine, conf. I
56851.7185 0.2376 -5.5669 3 119.4067207 89502 303341223 341124 a-Alanine, conf. I
56860.7691 0.2210 -6.9543 3 97.4656189 89502 30331 922 31 923 a-Alanine, conf. I
56878.4366 0.0281 -6.5852 3 31.1574105 89502 30317 810 16 9 7 a-Alanine, conf. I
56959.1104 2.4672 -7.2805 3 264.2784303 89502 303502031 501931 a-Alanine, conf. I
56959.3772 0.2158 -5.6090 3 97.4623189 89502 30331 922 31 823 a-Alanine, conf. I
56993.4921 0.4441 -7.3929 3 113.1662207 89502 30334 826 331123 a-Alanine, conf. I
57000.5940 0.1621 -7.3769 3 163.1343207 89502 3033427 7 3328 6 a-Alanine, conf. I
57000.5940 0.1621 -7.3769 3 163.1343207 89502 3033427 8 3328 5 a-Alanine, conf. I
57041.7672 0.0021 -5.8438 3 10.5755 69 89502 30311 2 9 10 3 8 a-Alanine, conf. I
57056.7353 0.2344 -7.2006 3 95.0791183 89502 303301219 301020 a-Alanine, conf. I
57058.0602 0.5810 -5.5653 3 141.2242225 89502 303371225 371126 a-Alanine, conf. I
57101.4323 0.0028 -6.3123 3 9.2152 63 89502 30310 3 7 9 3 6 a-Alanine, conf. I
57125.3460 0.0674 -7.0083 3 95.0390165 89502 3032719 8 2620 7 a-Alanine, conf. I
57125.3460 0.0674 -7.0083 3 95.0390165 89502 3032719 9 2620 6 a-Alanine, conf. I
57137.5079 0.4509 -6.9623 3 125.7972213 89502 303351124 351125 a-Alanine, conf. I
57158.7195 0.0191 -7.1827 3 49.5310123 89502 3032013 8 2012 8 a-Alanine, conf. I
57158.7541 0.0191 -5.7933 3 49.5310123 89502 3032013 7 2012 8 a-Alanine, conf. I
57159.5317 0.0191 -5.7932 3 49.5309123 89502 3032013 8 2012 9 a-Alanine, conf. I
57159.5663 0.0191 -7.1826 3 49.5309123 89502 3032013 7 2012 9 a-Alanine, conf. I
57161.2601 0.5292 -7.1240 3 147.2818225 89502 303371622 371522 a-Alanine, conf. I
57175.9211 1.3070 -5.7394 3 389.2465369 89502 303612338 612239 a-Alanine, conf. I
57224.6917 0.0893 -5.5895 3 93.0664177 89502 303291416 291317 a-Alanine, conf. I
57278.2514 0.3150 -6.9507 3 111.2014201 89502 303331023 331024 a-Alanine, conf. I
57293.4147 0.2038 -5.5409 3 143.2886225 89502 303371424 371325 a-Alanine, conf. I
57297.4612 0.0855 -7.0814 3 93.0664177 89502 303291415 291317 a-Alanine, conf. I
57360.2527 0.0334 -6.6055 3 35.7177111 89502 30318 910 1710 7 a-Alanine, conf. I
57395.1122 0.0019 -6.2705 3 10.5755 69 89502 30311 3 9 10 3 8 a-Alanine, conf. I
57439.7453 0.0031 -6.6619 3 4.0236 45 89502 303 7 3 4 6 2 5 a-Alanine, conf. I
57440.8177 0.0308 -7.1796 3 43.5491135 89502 30322 319 22 320 a-Alanine, conf. I
57440.8264 0.0308 -5.9654 3 43.5491135 89502 30322 319 22 220 a-Alanine, conf. I
57441.1076 0.0308 -5.9654 3 43.5491135 89502 30322 419 22 320 a-Alanine, conf. I
57441.1163 0.0308 -7.1796 3 43.5491135 89502 30322 419 22 220 a-Alanine, conf. I
57484.6836 0.0149 -7.2132 3 45.8586117 89502 3031913 7 1912 7 a-Alanine, conf. I
57484.6912 0.0149 -5.8346 3 45.8586117 89502 3031913 6 1912 7 a-Alanine, conf. I
57484.8964 0.0149 -5.8346 3 45.8586117 89502 3031913 7 1912 8 a-Alanine, conf. I
57484.9040 0.0149 -7.2132 3 45.8586117 89502 3031913 6 1912 8 a-Alanine, conf. I
57485.3917 0.3022 -5.5818 3 111.1945201 89502 303331023 33 924 a-Alanine, conf. I
57511.5266 0.0028 -7.1918 3 5.2056 51 89502 303 8 2 6 7 1 6 a-Alanine, conf. I
57533.3576 0.2248 -7.3599 3 72.1161159 89502 303261116 26 917 a-Alanine, conf. I
57549.5445 3.1592 -7.3181 3 296.2729321 89502 303532133 532033 a-Alanine, conf. I
57551.4299 0.4213 -5.5672 3 125.7834213 89502 303351124 351025 a-Alanine, conf. I
57578.9890 0.0965 -5.5362 3 138.2437219 89502 303361522 361423 a-Alanine, conf. I
57585.1717 0.0742 -5.5338 3 145.1997225 89502 303371523 371424 a-Alanine, conf. I
57588.8691 1.8960 -5.6446 3 306.7587327 89502 303542133 542034 a-Alanine, conf. I
57635.0186 0.0126 -6.5890 3 25.8857 99 89502 30316 611 15 7 8 a-Alanine, conf. I
57653.6373 0.0374 -6.6006 3 35.7175111 89502 30318 9 9 1710 8 a-Alanine, conf. I
57685.5023 0.1864 -6.9702 3 119.3789207 89502 303341223 341024 a-Alanine, conf. I
57713.2082 0.1811 -7.4009 3 173.7567213 89502 3033528 7 3429 6 a-Alanine, conf. I
57713.2082 0.1811 -7.4009 3 173.7567213 89502 3033528 8 3429 5 a-Alanine, conf. I
57730.5666 0.2511 -7.0855 3 118.5730201 89502 303331519 331419 a-Alanine, conf. I
57735.7266 0.1791 -5.5978 3 97.4656189 89502 303311022 31 923 a-Alanine, conf. I
57744.7708 0.0173 -6.2911 3 14.0416 75 89502 30312 4 8 11 5 7 a-Alanine, conf. I
57754.9103 0.0372 -6.6301 3 40.6184117 89502 303191010 1811 7 a-Alanine, conf. I
57759.4820 0.0115 -7.2537 3 42.3764111 89502 3031813 6 1812 6 a-Alanine, conf. I
57759.4835 0.0115 -5.8851 3 42.3764111 89502 3031813 5 1812 6 a-Alanine, conf. I
57759.5320 0.0115 -5.8851 3 42.3764111 89502 3031813 6 1812 7 a-Alanine, conf. I
57759.5335 0.0115 -7.2537 3 42.3764111 89502 3031813 5 1812 7 a-Alanine, conf. I
57766.7845 2.1059 -5.6128 3 270.6526309 89502 303511833 511734 a-Alanine, conf. I
57770.6440 0.0054 -6.3231 3 9.6015 63 89502 30310 4 6 9 4 5 a-Alanine, conf. I
57801.0852 0.0915 -7.0723 3 87.6635171 89502 303281415 281315 a-Alanine, conf. I
57810.2991 0.0751 -7.0306 3 103.1421171 89502 3032820 8 2721 7 a-Alanine, conf. I
57810.2991 0.0751 -7.0306 3 103.1421171 89502 3032820 9 2721 6 a-Alanine, conf. I
57811.4360 0.0670 -6.2627 3 10.5498 69 -89502 30311 2 9 10 2 8 a-Alanine, conf. I
57823.2781 0.0384 -6.6290 3 40.6184117 89502 3031910 9 1811 8 a-Alanine, conf. I
57829.0241 0.0900 -5.5978 3 87.6635171 89502 303281414 281315 a-Alanine, conf. I
57834.3347 0.1739 -6.9408 3 97.4623189 89502 303311022 31 823 a-Alanine, conf. I
57866.8348 6.5689 -7.3325 3 399.3534375 89502 303622240 622241 a-Alanine, conf. I
57948.6983 0.2281 -7.1966 3 123.0858207 89502 303341420 341322 a-Alanine, conf. I
57968.0059 0.4520 -5.5429 3 147.2818225 89502 303371621 371522 a-Alanine, conf. I
57990.0392 0.0093 -7.3072 3 39.0834105 89502 3031713 5 1712 5 a-Alanine, conf. I
57990.0394 0.0093 -5.9480 3 39.0834105 89502 3031713 4 1712 5 a-Alanine, conf. I
57990.0495 0.0093 -5.9480 3 39.0834105 89502 3031713 5 1712 6 a-Alanine, conf. I
57990.0497 0.0093 -7.3072 3 39.0834105 89502 3031713 4 1712 6 a-Alanine, conf. I
57990.1885 0.0393 -6.5651 3 31.1562105 89502 30317 8 9 16 9 8 a-Alanine, conf. I
57992.8054 3.9785 -7.3625 3 330.0877339 89502 303562235 562135 a-Alanine, conf. I
57992.9671 0.2314 -5.5525 3 118.5730201 89502 303331518 331419 a-Alanine, conf. I
58000.4082 1.0416 -5.5598 3 205.7618267 89502 303441826 441727 a-Alanine, conf. I
58014.5287 0.1218 -5.5352 3 131.4724213 89502 303351521 351422 a-Alanine, conf. I
58088.0707 0.0785 -5.5941 3 87.6539171 89502 303281415 281316 a-Alanine, conf. I
58116.0096 0.0771 -7.0679 3 87.6539171 89502 303281414 281316 a-Alanine, conf. I
58122.7368 0.2667 -5.5406 3 134.4491219 89502 303361324 361225 a-Alanine, conf. I
58146.7137 0.1046 -5.5271 3 152.3329231 89502 303381524 381425 a-Alanine, conf. I
58164.7522 0.0024 -5.8227 3 10.5498 69 89502 30311 3 9 10 2 8 a-Alanine, conf. I
58182.2144 0.0083 -6.0284 3 35.9785 99 89502 3031613 3 1612 4 a-Alanine, conf. I
58182.2144 0.0083 -7.3789 3 35.9785 99 89502 3031613 4 1612 4 a-Alanine, conf. I
58182.2162 0.0083 -7.3789 3 35.9785 99 89502 3031613 3 1612 5 a-Alanine, conf. I
58182.2162 0.0083 -6.0284 3 35.9785 99 89502 3031613 4 1612 5 a-Alanine, conf. I
58186.8702 0.0405 -6.6549 3 45.8586123 89502 303201110 1912 7 a-Alanine, conf. I
58201.3765 0.0408 -6.6547 3 45.8586123 89502 3032011 9 1912 8 a-Alanine, conf. I
58247.9527 0.0534 -7.0195 3 59.5021153 89502 30325 520 25 521 a-Alanine, conf. I
58248.3351 0.0534 -5.7682 3 59.5020153 89502 30325 520 25 421 a-Alanine, conf. I
58255.1739 0.0532 -5.7681 3 59.5021153 89502 30325 620 25 521 a-Alanine, conf. I
58255.5564 0.0532 -7.0194 3 59.5020153 89502 30325 620 25 421 a-Alanine, conf. I
58268.2578 0.1103 -6.9530 3 77.4856171 89502 30328 721 28 722 a-Alanine, conf. I
58276.1327 0.1100 -5.6594 3 77.4853171 89502 30328 721 28 622 a-Alanine, conf. I
58312.9344 4.9354 -7.4131 3 365.7196357 89502 303592337 592237 a-Alanine, conf. I
58318.1480 0.0350 -7.0186 3 5.9395 51 -89502 303 8 4 4 7 3 4 a-Alanine, conf. I
58341.0849 0.0087 -6.1364 3 33.0608 93 89502 3031513 2 1512 3 a-Alanine, conf. I
58341.0852 0.0087 -6.1364 3 33.0608 93 89502 3031513 3 1512 4 a-Alanine, conf. I
58353.0458 0.0367 -7.3089 3 38.0248129 89502 30321 219 21 220 a-Alanine, conf. I
58353.0463 0.0367 -6.1130 3 38.0248129 89502 30321 219 21 120 a-Alanine, conf. I
58353.0706 0.0367 -6.1130 3 38.0248129 89502 30321 319 21 220 a-Alanine, conf. I
58353.0711 0.0367 -7.3089 3 38.0248129 89502 30321 319 21 120 a-Alanine, conf. I
58367.4774 0.1064 -5.6581 3 77.4856171 89502 30328 821 28 722 a-Alanine, conf. I
58375.3523 0.1061 -6.9515 3 77.4853171 89502 30328 821 28 622 a-Alanine, conf. I
58401.0633 0.0682 -7.0193 3 127.7031213 89502 303351323 351124 a-Alanine, conf. I
58444.5350 0.0360 -5.8637 3 4.6790 39 -89502 303 6 6 1 5 5 0 a-Alanine, conf. I
58444.6527 0.0017 -7.0156 3 4.6790 39 89502 303 6 6 0 5 5 0 a-Alanine, conf. I
58445.1997 0.0017 -7.0156 3 4.6790 39 89502 303 6 6 1 5 5 1 a-Alanine, conf. I
58445.2140 0.0530 -5.8637 3 4.6790 39 -89502 303 6 6 0 5 5 1 a-Alanine, conf. I
58471.1168 0.0100 -6.2949 3 30.3293 87 89502 3031413 1 1412 2 a-Alanine, conf. I
58471.1168 0.0100 -6.2949 3 30.3293 87 89502 3031413 2 1412 3 a-Alanine, conf. I
58499.8689 0.0838 -7.0531 3 111.5829177 89502 3032921 8 2822 7 a-Alanine, conf. I
58499.8689 0.0838 -7.0531 3 111.5829177 89502 3032921 9 2822 6 a-Alanine, conf. I
58532.5704 2.1696 -5.7564 3 413.4570381 89502 303632340 632241 a-Alanine, conf. I
58539.8871 0.1484 -7.0725 3 121.1331207 89502 303341322 341123 a-Alanine, conf. I
58557.4608 1.2591 -5.5573 3 200.8409267 89502 303441529 441430 a-Alanine, conf. I
58574.7832 0.2311 -7.3340 3 80.6764171 89502 30328 919 271216 a-Alanine, conf. I
58576.2783 0.0117 -6.5775 3 27.7834 81 89502 3031313 0 1312 1 a-Alanine, conf. I
58576.2783 0.0117 -6.5775 3 27.7834 81 89502 3031313 1 1312 2 a-Alanine, conf. I
58625.3790 0.5323 -7.3664 3 113.1120207 89502 30334 926 331023 a-Alanine, conf. I
58675.2099 0.0438 -6.6792 3 51.4376129 89502 303211210 2013 7 a-Alanine, conf. I
58678.0645 0.0439 -6.6792 3 51.4376129 89502 3032112 9 2013 8 a-Alanine, conf. I
58734.9412 0.8255 -5.7882 3 440.4614393 89502 303652441 652342 a-Alanine, conf. I
58754.3023 0.1338 -5.5324 3 124.8923207 89502 303341520 341421 a-Alanine, conf. I
58761.9684 0.0725 -7.0608 3 82.4451165 89502 303271414 271314 a-Alanine, conf. I
58772.1002 0.0719 -5.6032 3 82.4451165 89502 303271413 271314 a-Alanine, conf. I
58823.3927 0.4086 -7.2924 3 82.6302177 89502 30329 822 28 919 a-Alanine, conf. I
58879.5598 0.0674 -5.6017 3 82.4412165 89502 303271414 271315 a-Alanine, conf. I
58889.6917 0.0669 -7.0591 3 82.4412165 89502 303271413 271315 a-Alanine, conf. I
58901.5438 0.2259 -5.5618 3 111.2014201 89502 303331123 331024 a-Alanine, conf. I
58913.3030 2.6699 -5.6535 3 326.3883339 89502 303562036 561937 a-Alanine, conf. I
58932.5283 0.0019 -5.6396 3 11.5734 75 89502 30312 111 11 210 a-Alanine, conf. I
58938.9680 0.0019 -6.1916 3 11.5734 75 89502 30312 211 11 210 a-Alanine, conf. I
58949.7111 0.0019 -6.1915 3 11.5728 75 89502 30312 111 11 110 a-Alanine, conf. I
58956.1508 0.0019 -5.6392 3 11.5728 75 89502 30312 211 11 110 a-Alanine, conf. I
58986.8308 1.1378 -6.9927 3 182.4953255 89502 303421428 421429 a-Alanine, conf. I
59006.6068 0.0014 -5.9754 3 5.0814 45 89502 303 7 5 3 6 4 2 a-Alanine, conf. I
59013.8405 1.2332 -5.7690 3 427.8538387 89502 303642440 642341 a-Alanine, conf. I
59024.4299 2.1660 -5.6657 3 341.1617345 89502 303572235 572136 a-Alanine, conf. I
59045.2844 0.0014 -7.0384 3 5.0814 45 89502 303 7 5 2 6 4 2 a-Alanine, conf. I
59108.6840 0.2132 -6.9258 3 111.1945201 89502 303331123 33 924 a-Alanine, conf. I
59126.0030 0.0478 -6.3871 3 32.7284123 89502 30320 119 20 020 a-Alanine, conf. I
59126.0044 0.0478 -6.3871 3 32.7284123 89502 30320 219 20 120 a-Alanine, conf. I
59140.5462 0.4058 -7.3181 3 107.0778201 89502 30333 825 321122 a-Alanine, conf. I
59145.9346 0.7529 -7.1190 3 171.3759243 89502 303401724 401624 a-Alanine, conf. I
59193.1949 0.0936 -7.0758 3 120.3612183 89502 3033022 8 2923 7 a-Alanine, conf. I
59193.1949 0.0936 -7.0758 3 120.3612183 89502 3033022 9 2923 6 a-Alanine, conf. I
59211.2909 0.0474 -6.7030 3 57.3551135 89502 303221310 2114 7 a-Alanine, conf. I
59211.8184 0.0474 -6.7030 3 57.3551135 89502 3032213 9 2114 8 a-Alanine, conf. I
59214.2305 0.0013 -7.0370 3 5.0745 45 89502 303 7 5 3 6 4 3 a-Alanine, conf. I
59252.9081 0.0013 -5.9734 3 5.0745 45 89502 303 7 5 2 6 4 3 a-Alanine, conf. I
59274.5437 0.0670 -7.1084 3 131.4724213 89502 303351520 351422 a-Alanine, conf. I
59328.9031 0.1837 -5.5153 3 159.6355237 89502 303391525 391426 a-Alanine, conf. I
59344.3695 0.0952 -7.0813 3 124.8923207 89502 303341519 341421 a-Alanine, conf. I
59434.4789 0.0438 -6.5103 3 26.9346 99 89502 30316 7 9 15 8 8 a-Alanine, conf. I
59490.4964 0.0391 -7.0626 3 53.2800147 89502 30324 420 24 421 a-Alanine, conf. I
59490.5359 0.0391 -5.8324 3 53.2800147 89502 30324 420 24 321 a-Alanine, conf. I
59491.4862 0.0391 -5.8323 3 53.2800147 89502 30324 520 24 421 a-Alanine, conf. I
59491.5257 0.0391 -7.0626 3 53.2800147 89502 30324 520 24 321 a-Alanine, conf. I
59526.4466 0.2828 -5.5183 3 150.3473231 89502 303381425 381326 a-Alanine, conf. I
59539.7909 0.0588 -7.0559 3 77.4288159 89502 303261413 261313 a-Alanine, conf. I
59543.2508 0.0586 -5.6135 3 77.4288159 89502 303261412 261313 a-Alanine, conf. I
59585.1890 0.0569 -5.6129 3 77.4273159 89502 303261413 261314 a-Alanine, conf. I
59585.3857 0.1556 -6.9193 3 89.9016183 89502 30330 822 30 823 a-Alanine, conf. I
59588.6489 0.0568 -7.0552 3 77.4273159 89502 303261412 261314 a-Alanine, conf. I
59590.3434 0.0030 -6.0886 3 7.4833 57 89502 303 9 4 6 8 3 5 a-Alanine, conf. I
59592.3848 0.0869 -6.8934 3 35.6513117 89502 30319 614 18 711 a-Alanine, conf. I
59604.7765 0.1546 -5.6070 3 89.9009183 89502 30330 822 30 723 a-Alanine, conf. I
59633.4073 1.3350 -5.5596 3 234.1071285 89502 303471928 471829 a-Alanine, conf. I
59658.6147 0.1624 -6.9680 3 134.3979219 89502 303361324 361125 a-Alanine, conf. I
59663.8838 0.1334 -5.5293 3 118.5085201 89502 303331519 331420 a-Alanine, conf. I
59706.4201 0.1803 -7.0478 3 112.3549195 89502 303321518 321418 a-Alanine, conf. I
59729.7259 0.0015 -7.1709 3 5.2257 51 89502 303 8 3 6 7 2 6 a-Alanine, conf. I
59737.2016 0.0799 -7.1924 3 74.0352165 89502 30327 819 261116 a-Alanine, conf. I
59755.0750 0.0290 -6.2565 3 11.2942 69 -89502 30311 4 8 10 4 7 a-Alanine, conf. I
59783.6508 0.0512 -6.7264 3 63.6111141 89502 303231410 2215 7 a-Alanine, conf. I
59783.7431 0.0512 -6.7264 3 63.6111141 89502 3032314 9 2215 8 a-Alanine, conf. I
59798.4203 0.1456 -5.6042 3 89.9016183 89502 30330 922 30 823 a-Alanine, conf. I
59817.3944 0.1723 -5.5385 3 112.3549195 89502 303321517 321418 a-Alanine, conf. I
59817.8112 0.1446 -6.9161 3 89.9009183 89502 30330 922 30 723 a-Alanine, conf. I
59845.8528 0.0114 -7.0583 3 21.0762 87 89502 30314 7 7 14 410 a-Alanine, conf. I
59889.5842 0.1046 -7.0989 3 129.4772189 89502 3033123 8 3024 7 a-Alanine, conf. I
59889.5842 0.1046 -7.0989 3 129.4772189 89502 3033123 9 3024 6 a-Alanine, conf. I
59912.8428 0.0041 -6.9574 3 17.8061 69 89502 3031110 2 1010 1 a-Alanine, conf. I
59912.8430 0.0041 -6.9574 3 17.8061 69 89502 3031110 1 1010 0 a-Alanine, conf. I
59926.2842 0.1154 -7.0561 3 118.5085201 89502 303331518 331420 a-Alanine, conf. I
59995.2310 0.0796 -6.9552 3 70.5828165 89502 30327 621 27 622 a-Alanine, conf. I
59996.4108 0.0795 -5.6869 3 70.5827165 89502 30327 621 27 522 a-Alanine, conf. I
60000.5182 3.0180 -5.7108 3 387.2451369 89502 303612239 612140 a-Alanine, conf. I
60006.0983 0.2743 -5.5333 3 125.7972213 89502 303351224 351125 a-Alanine, conf. I
60013.8696 0.0789 -5.6867 3 70.5828165 89502 30327 721 27 622 a-Alanine, conf. I
60015.0494 0.0788 -6.9549 3 70.5827165 89502 30327 721 27 522 a-Alanine, conf. I
60031.3143 0.0030 -6.6727 3 16.3220 69 89502 30311 9 3 10 9 2 a-Alanine, conf. I
60031.3294 0.0030 -6.6727 3 16.3220 69 89502 30311 9 2 10 9 1 a-Alanine, conf. I
60124.6626 0.1526 -7.1362 3 138.2437219 89502 303361521 361423 a-Alanine, conf. I
60173.8428 0.0271 -6.6166 3 28.9171105 89502 30317 612 16 7 9 a-Alanine, conf. I
60178.7254 4.5614 -7.2001 3 337.3869345 89502 303572037 572038 a-Alanine, conf. I
60187.6924 0.0483 -7.0566 3 72.6112153 89502 303251412 251312 a-Alanine, conf. I
60188.8003 0.0482 -5.6280 3 72.6112153 89502 303251411 251312 a-Alanine, conf. I
60199.8547 0.0025 -6.5138 3 14.9987 69 89502 30311 8 4 10 8 3 a-Alanine, conf. I
60200.5184 0.0025 -6.5138 3 14.9987 69 89502 30311 8 3 10 8 2 a-Alanine, conf. I
60204.1711 0.0476 -5.6278 3 72.6107153 89502 303251412 251313 a-Alanine, conf. I
60205.2791 0.0476 -7.0563 3 72.6107153 89502 303251411 251313 a-Alanine, conf. I
60221.1338 0.6280 -5.5197 3 171.3759243 89502 303401723 401624 a-Alanine, conf. I
60338.8709 0.4084 -7.3897 3 93.0664183 89502 303301020 291317 a-Alanine, conf. I
60350.1057 0.9825 -5.5303 3 182.4499255 89502 303421428 421329 a-Alanine, conf. I
60383.2305 0.0555 -6.7495 3 70.2052147 89502 303241510 2316 7 a-Alanine, conf. I
60383.2459 0.0555 -6.7495 3 70.2052147 89502 3032415 9 2316 8 a-Alanine, conf. I
60388.0165 0.0034 -5.5018 3 12.3880 81 89502 30313 013 12 112 a-Alanine, conf. I
60388.0524 0.0034 -6.1185 3 12.3880 81 89502 30313 113 12 112 a-Alanine, conf. I
60388.1248 0.0034 -6.1185 3 12.3880 81 89502 30313 013 12 012 a-Alanine, conf. I
60388.1530 0.0490 -5.5018 3 12.3880 81 -89502 30313 113 12 012 a-Alanine, conf. I
60388.1661 0.3686 -7.0612 3 140.2492219 89502 303361621 361521 a-Alanine, conf. I
60420.0203 0.2453 -6.9188 3 125.7834213 89502 303351224 351025 a-Alanine, conf. I
60441.9514 0.2940 -7.1279 3 114.6831201 89502 303331321 331122 a-Alanine, conf. I
60447.3361 0.0029 -6.4064 3 13.8386 69 89502 30311 7 5 10 7 4 a-Alanine, conf. I
60464.2295 0.0030 -6.4062 3 13.8387 69 89502 30311 7 4 10 7 3 a-Alanine, conf. I
60467.0730 1.8874 -5.5671 3 249.3505297 89502 303491732 491633 a-Alanine, conf. I
60487.3524 2.4260 -5.6925 3 377.3798363 89502 303602337 602238 a-Alanine, conf. I
60513.9850 0.0348 -7.1421 3 20.2203 87 89502 30314 6 8 14 311 a-Alanine, conf. I
60541.3832 0.0362 -7.1386 3 47.2778141 89502 30323 320 23 321 a-Alanine, conf. I
60541.3863 0.0362 -5.9272 3 47.2778141 89502 30323 320 23 221 a-Alanine, conf. I
60541.4909 0.0362 -5.9272 3 47.2778141 89502 30323 420 23 321 a-Alanine, conf. I
60541.4939 0.0362 -7.1386 3 47.2778141 89502 30323 420 23 221 a-Alanine, conf. I
60588.4722 0.1169 -7.1224 3 138.9306195 89502 3033224 8 3125 7 a-Alanine, conf. I
60588.4722 0.1169 -7.1224 3 138.9306195 89502 3033224 9 3125 6 a-Alanine, conf. I
60588.9294 0.0168 -7.2597 3 18.4469 81 89502 30313 7 6 13 4 9 a-Alanine, conf. I
60632.5629 0.1246 -5.5273 3 112.3240195 89502 303321518 321419 a-Alanine, conf. I
60636.5119 1.8995 -7.0293 3 228.9426285 89502 303471631 471632 a-Alanine, conf. I
60661.7115 0.2158 -6.8982 3 103.1839195 89502 30332 923 32 924 a-Alanine, conf. I
60706.3018 0.2131 -5.5664 3 103.1824195 89502 30332 923 32 824 a-Alanine, conf. I
60736.6464 0.0396 -7.0627 3 67.9901147 89502 303241411 241311 a-Alanine, conf. I
60736.9774 0.0396 -5.6468 3 67.9901147 89502 303241410 241311 a-Alanine, conf. I
60742.2508 0.0394 -5.6468 3 67.9899147 89502 303241411 241312 a-Alanine, conf. I
60742.5817 0.0394 -7.0626 3 67.9899147 89502 303241410 241312 a-Alanine, conf. I
60743.5371 0.1171 -7.0340 3 112.3240195 89502 303321517 321419 a-Alanine, conf. I
60758.0645 0.8135 -6.9424 3 164.9215243 89502 303401327 401328 a-Alanine, conf. I
60758.9481 0.3339 -5.5120 3 140.2492219 89502 303361620 361521 a-Alanine, conf. I
60762.3530 0.0510 -6.3281 3 12.8451 69 -89502 30311 6 6 10 6 5 a-Alanine, conf. I
60798.5970 0.0290 -6.2749 3 12.0136 69 -89502 30311 5 7 10 5 6 a-Alanine, conf. I
60849.6437 0.0533 -6.7241 3 32.1731111 89502 30318 613 17 710 a-Alanine, conf. I
60890.2459 0.1132 -5.4975 3 161.6145237 89502 303391624 391525 a-Alanine, conf. I
60922.6803 1.0457 -7.1239 3 197.2997261 89502 303431826 431726 a-Alanine, conf. I
60923.4619 1.0934 -5.8038 3 468.2668405 89502 303672542 672443 a-Alanine, conf. I
60934.6472 0.2501 -7.1329 3 56.7476147 89502 30324 718 23 815 a-Alanine, conf. I
60951.9948 0.3124 -7.2636 3 89.3197177 89502 303291218 291019 a-Alanine, conf. I
60994.6952 0.0926 -5.4969 3 169.1397243 89502 303401625 401526 a-Alanine, conf. I
61003.4978 0.0601 -6.7725 3 77.1373153 89502 303251610 2417 7 a-Alanine, conf. I
61003.5003 0.0601 -6.7725 3 77.1373153 89502 3032516 9 2417 8 a-Alanine, conf. I
61007.3271 0.0044 -6.3245 3 12.8489 69 89502 30311 6 5 10 6 4 a-Alanine, conf. I
61070.3298 0.3594 -7.2476 3 101.1453195 89502 30332 824 311121 a-Alanine, conf. I
61075.2287 3.0163 -7.0988 3 280.5780315 89502 303521834 521835 a-Alanine, conf. I
61093.8978 0.1921 -5.5611 3 103.1839195 89502 303321023 32 924 a-Alanine, conf. I
61099.1715 0.3200 -5.5106 3 141.2506225 89502 303371325 371226 a-Alanine, conf. I
61134.9488 0.2802 -5.4989 3 167.1005243 89502 303401526 401427 a-Alanine, conf. I
61136.2651 1.3461 -5.8201 3 481.4429411 89502 303682543 682444 a-Alanine, conf. I
61138.4881 0.1895 -6.8918 3 103.1824195 89502 303321023 32 824 a-Alanine, conf. I
61153.9860 0.0360 -7.0343 3 5.7837 51 -89502 303 8 4 5 7 3 5 a-Alanine, conf. I
61163.9034 0.1362 -7.0218 3 106.3544189 89502 303311517 311417 a-Alanine, conf. I
61172.2056 0.0166 -6.9381 3 23.8452 93 89502 30315 7 8 15 411 a-Alanine, conf. I
61176.8355 1.6723 -5.5672 3 264.2784303 89502 303502030 501931 a-Alanine, conf. I
61205.8130 0.0324 -7.0743 3 63.5636141 89502 303231410 231310 a-Alanine, conf. I
61205.9045 0.0324 -5.6703 3 63.5636141 89502 3032314 9 231310 a-Alanine, conf. I
61207.5901 0.0323 -5.6702 3 63.5636141 89502 303231410 231311 a-Alanine, conf. I
61207.6817 0.0323 -7.0743 3 63.5636141 89502 3032314 9 231311 a-Alanine, conf. I
61208.5400 0.1332 -5.5324 3 106.3544189 89502 303311516 311417 a-Alanine, conf. I
61268.9383 0.1499 -5.4945 3 154.2725231 89502 303381623 381524 a-Alanine, conf. I
61289.3933 0.1305 -7.1462 3 148.7215201 89502 3033325 8 3226 7 a-Alanine, conf. I
61289.3933 0.1305 -7.1462 3 148.7215201 89502 3033325 9 3226 6 a-Alanine, conf. I
61411.0955 2.8894 -5.7801 3 453.1985399 89502 303662442 662343 a-Alanine, conf. I
61414.5322 0.0570 -6.9774 3 63.8902159 89502 30326 521 26 522 a-Alanine, conf. I
61414.6781 0.0570 -5.7312 3 63.8902159 89502 30326 521 26 422 a-Alanine, conf. I
61417.4747 0.0569 -5.7311 3 63.8902159 89502 30326 621 26 522 a-Alanine, conf. I
61417.6205 0.0569 -6.9774 3 63.8902159 89502 30326 621 26 422 a-Alanine, conf. I
61432.4776 0.2980 -6.8891 3 117.3298207 89502 303341024 341025 a-Alanine, conf. I
61436.8770 0.0438 -7.2695 3 41.4998135 89502 30322 220 22 221 a-Alanine, conf. I
61436.8772 0.0438 -6.0752 3 41.4998135 89502 30322 220 22 121 a-Alanine, conf. I
61436.8858 0.0438 -6.0752 3 41.4998135 89502 30322 320 22 221 a-Alanine, conf. I
61436.8859 0.0438 -7.2695 3 41.4998135 89502 30322 320 22 121 a-Alanine, conf. I
61479.7796 0.0199 -6.4642 3 29.9123105 89502 30317 711 16 8 8 a-Alanine, conf. I
61486.6948 0.5086 -7.2883 3 114.9669201 89502 303331320 331222 a-Alanine, conf. I
61505.5101 0.7368 -5.5144 3 164.8966243 89502 303401327 401228 a-Alanine, conf. I
61517.8226 0.4586 -7.2226 3 129.6512213 89502 303351421 351323 a-Alanine, conf. I
61529.2558 0.2913 -5.5368 3 117.3265207 89502 303341024 34 925 a-Alanine, conf. I
61582.8151 0.1117 -5.5273 3 106.3404189 89502 303311517 311418 a-Alanine, conf. I
61591.2382 0.1141 -6.9073 3 82.5364177 89502 30329 722 29 723 a-Alanine, conf. I
61594.5076 0.1140 -5.6220 3 82.5363177 89502 30329 722 29 623 a-Alanine, conf. I
61608.1118 0.0262 -7.0918 3 59.3302135 89502 3032214 9 2213 9 a-Alanine, conf. I
61608.1351 0.0262 -5.6988 3 59.3302135 89502 3032214 8 2213 9 a-Alanine, conf. I
61608.6339 0.0261 -5.6988 3 59.3302135 89502 3032214 9 221310 a-Alanine, conf. I
61608.6572 0.0261 -7.0918 3 59.3302135 89502 3032214 8 221310 a-Alanine, conf. I
61627.4517 0.1088 -7.0157 3 106.3404189 89502 303311516 311418 a-Alanine, conf. I
61633.7181 0.5783 -6.9097 3 148.2012231 89502 303381226 381227 a-Alanine, conf. I
61635.5745 0.1121 -5.6214 3 82.5364177 89502 30329 822 29 723 a-Alanine, conf. I
61638.8439 0.1120 -6.9067 3 82.5363177 89502 30329 822 29 623 a-Alanine, conf. I
61639.7649 0.0653 -6.7954 3 84.4075159 89502 303261710 2518 7 a-Alanine, conf. I
61639.7653 0.0653 -6.7954 3 84.4075159 89502 3032617 9 2518 8 a-Alanine, conf. I
61685.9062 0.1487 -5.4917 3 176.8402249 89502 303411626 411527 a-Alanine, conf. I
61759.4927 2.6193 -5.6014 3 303.0193327 89502 303541935 541836 a-Alanine, conf. I
61792.4959 0.0026 -6.2093 3 11.1199 69 89502 30311 3 8 10 3 7 a-Alanine, conf. I
61801.3837 0.4133 -6.8926 3 132.3364219 89502 303361125 361126 a-Alanine, conf. I
61841.6852 0.0024 -5.7066 3 12.4900 75 89502 30312 210 11 3 9 a-Alanine, conf. I
61889.8762 0.2574 -6.9184 3 141.2242225 89502 303371325 371126 a-Alanine, conf. I
61953.0614 0.0209 -7.1160 3 55.2886129 89502 3032114 8 2113 8 a-Alanine, conf. I
61953.0668 0.0209 -5.7332 3 55.2886129 89502 3032114 7 2113 8 a-Alanine, conf. I
61953.2024 0.0209 -5.7332 3 55.2886129 89502 3032114 8 2113 9 a-Alanine, conf. I
61953.2077 0.0209 -7.1160 3 55.2886129 89502 3032114 7 2113 9 a-Alanine, conf. I
61965.3576 7.7004 -7.3405 3 438.3945393 89502 303652342 652343 a-Alanine, conf. I
61990.3280 2.6668 -5.7247 3 415.4094381 89502 303632439 632340 a-Alanine, conf. I
61991.9597 0.1455 -7.1704 3 158.8499207 89502 3033426 8 3327 7 a-Alanine, conf. I
61991.9597 0.1455 -7.1704 3 158.8499207 89502 3033426 9 3327 6 a-Alanine, conf. I
61995.0109 0.0023 -6.1661 3 12.4900 75 89502 30312 310 11 3 9 a-Alanine, conf. I
61996.2923 0.1714 -5.4893 3 147.1206225 89502 303371622 371523 a-Alanine, conf. I
62001.1555 0.3974 -5.5181 3 132.3297219 89502 303361125 361026 a-Alanine, conf. I
62028.0941 0.5424 -5.5104 3 148.1880231 89502 303381226 381127 a-Alanine, conf. I
62125.2307 0.1609 -7.0190 3 143.1275225 89502 303371424 371225 a-Alanine, conf. I
62188.9646 0.5463 -7.2695 3 106.9768201 89502 30333 925 321022 a-Alanine, conf. I
62195.0302 0.0024 -6.1628 3 12.4782 75 89502 30312 210 11 2 9 a-Alanine, conf. I
62202.3594 0.0562 -6.3497 3 35.9500129 89502 30321 120 21 021 a-Alanine, conf. I
62202.3598 0.0562 -6.3497 3 35.9500129 89502 30321 220 21 121 a-Alanine, conf. I
62233.2173 0.0996 -6.9706 3 150.2570231 89502 303381425 381226 a-Alanine, conf. I
62240.8036 0.5139 -7.3614 3 101.1453189 89502 303311219 311121 a-Alanine, conf. I
62242.6963 0.3570 -5.4928 3 157.5593237 89502 303391426 391327 a-Alanine, conf. I
62248.1910 0.0165 -7.1481 3 51.4376123 89502 3032014 7 2013 7 a-Alanine, conf. I
62248.1922 0.0165 -5.7748 3 51.4376123 89502 3032014 6 2013 7 a-Alanine, conf. I
62248.2256 0.0165 -5.7748 3 51.4376123 89502 3032014 7 2013 8 a-Alanine, conf. I
62248.2267 0.0165 -7.1481 3 51.4376123 89502 3032014 6 2013 8 a-Alanine, conf. I
62266.2614 0.2454 -5.5270 3 117.3298207 89502 303341124 341025 a-Alanine, conf. I
62275.3653 0.0438 -6.4072 3 23.0504 93 89502 30315 6 9 14 7 8 a-Alanine, conf. I
62288.6063 0.0711 -6.8184 3 92.0155165 89502 303271810 2619 7 a-Alanine, conf. I
62288.6064 0.0711 -6.8184 3 92.0155165 89502 3032718 9 2619 8 a-Alanine, conf. I
62289.7984 0.1077 -7.0043 3 100.5637183 89502 303301516 301416 a-Alanine, conf. I
62306.8562 0.1066 -5.5321 3 100.5637183 89502 303301515 301416 a-Alanine, conf. I
62320.1403 0.6339 -7.3393 3 141.2506231 89502 30338 929 371226 a-Alanine, conf. I
62324.0667 0.8508 -5.5064 3 197.2997261 89502 303431825 431726 a-Alanine, conf. I
62326.6363 0.0042 -6.0029 3 9.2152 63 89502 30310 4 7 9 3 6 a-Alanine, conf. I
62348.3559 0.0026 -5.6982 3 12.4782 75 89502 30312 310 11 2 9 a-Alanine, conf. I
62363.0396 0.2388 -6.8771 3 117.3265207 89502 303341124 34 925 a-Alanine, conf. I
62405.2877 0.1096 -7.1265 3 79.0939171 89502 30328 820 271117 a-Alanine, conf. I
62420.2040 0.3704 -7.1639 3 145.1997225 89502 303371522 371424 a-Alanine, conf. I
62469.1865 0.0976 -5.5299 3 100.5578183 89502 303301516 301417 a-Alanine, conf. I
62483.7430 0.0450 -6.2479 3 12.0591 69 -89502 30311 5 6 10 5 5 a-Alanine, conf. I
62486.2443 0.0965 -7.0017 3 100.5578183 89502 303301515 301417 a-Alanine, conf. I
62498.4488 1.4209 -7.1380 3 225.0516279 89502 303461928 461828 a-Alanine, conf. I
62499.7513 0.0131 -7.1898 3 47.7760117 89502 3031914 6 1913 6 a-Alanine, conf. I
62499.7515 0.0131 -5.8255 3 47.7760117 89502 3031914 5 1913 6 a-Alanine, conf. I
62499.7589 0.0131 -5.8255 3 47.7760117 89502 3031914 6 1913 7 a-Alanine, conf. I
62499.7591 0.0131 -7.1898 3 47.7760117 89502 3031914 5 1913 7 a-Alanine, conf. I
62608.2217 0.3042 -7.1856 3 95.3739189 89502 30331 823 301120 a-Alanine, conf. I
62613.7824 0.0436 -7.0228 3 57.4135153 89502 30325 421 25 422 a-Alanine, conf. I
62613.7968 0.0436 -5.7962 3 57.4135153 89502 30325 421 25 322 a-Alanine, conf. I
62614.1649 0.0436 -5.7962 3 57.4135153 89502 30325 521 25 422 a-Alanine, conf. I
62614.1793 0.0436 -7.0228 3 57.4135153 89502 30325 521 25 322 a-Alanine, conf. I
62619.3824 3.3320 -5.6560 3 361.8244357 89502 303592138 592039 a-Alanine, conf. I
62652.5237 2.0514 -5.5818 3 296.2729321 89502 303532132 532033 a-Alanine, conf. I
62693.5630 0.0310 -6.9512 3 7.1240 57 -89502 303 9 3 6 8 2 6 a-Alanine, conf. I
62695.8449 0.1619 -7.1950 3 169.3156213 89502 3033527 8 3428 7 a-Alanine, conf. I
62695.8449 0.1619 -7.1950 3 169.3156213 89502 3033527 9 3428 6 a-Alanine, conf. I
62701.8626 0.2634 -7.0165 3 133.4496213 89502 303351620 351520 a-Alanine, conf. I
62713.0921 0.0109 -7.2444 3 44.3031111 89502 3031814 5 1813 5 a-Alanine, conf. I
62713.0922 0.0109 -5.8885 3 44.3031111 89502 3031814 4 1813 5 a-Alanine, conf. I
62713.0936 0.0109 -7.2444 3 44.3031111 89502 3031814 4 1813 6 a-Alanine, conf. I
62713.0936 0.0109 -5.8885 3 44.3031111 89502 3031814 5 1813 6 a-Alanine, conf. I
62803.0381 0.1085 -7.0524 3 147.1206225 89502 303371621 371523 a-Alanine, conf. I
62864.4046 0.2486 -5.4922 3 133.4496213 89502 303351619 351520 a-Alanine, conf. I
62867.6823 0.5283 -7.0480 3 163.7549237 89502 303391723 391623 a-Alanine, conf. I
62887.6832 1.5569 -5.5267 3 228.8675285 89502 303471631 471532 a-Alanine, conf. I
62892.8818 0.0103 -5.9691 3 41.0177105 89502 3031714 3 1713 4 a-Alanine, conf. I
62892.8818 0.0103 -7.3171 3 41.0177105 89502 3031714 4 1713 4 a-Alanine, conf. I
62892.8820 0.0103 -7.3171 3 41.0177105 89502 3031714 3 1713 5 a-Alanine, conf. I
62892.8820 0.0103 -5.9691 3 41.0177105 89502 3031714 4 1713 5 a-Alanine, conf. I
62900.7738 0.8897 -5.8438 3 510.4817423 89502 303702644 702545 a-Alanine, conf. I
62932.9569 0.0066 -5.8756 3 13.2874 75 89502 30312 3 9 11 4 8 a-Alanine, conf. I
62933.8397 0.1760 -5.4833 3 140.1643219 89502 303361621 361522 a-Alanine, conf. I
62939.3560 0.0931 -7.0818 3 154.2725231 89502 303381622 381524 a-Alanine, conf. I
62947.4640 0.0776 -6.8414 3 99.9613171 89502 3032819 9 2720 8 a-Alanine, conf. I
62947.4640 0.0776 -6.8414 3 99.9613171 89502 303281910 2720 7 a-Alanine, conf. I
62990.2300 0.0280 -6.1996 3 5.7837 51 -89502 303 8 4 4 7 3 5 a-Alanine, conf. I
63014.4238 0.2550 -5.4815 3 184.7083255 89502 303421627 421528 a-Alanine, conf. I
63019.8794 0.1586 -6.8729 3 95.3602189 89502 30331 823 31 824 a-Alanine, conf. I
63028.2009 0.1581 -5.5702 3 95.3599189 89502 30331 823 31 724 a-Alanine, conf. I
63043.2475 0.0110 -6.0773 3 37.9192 99 89502 3031614 2 1613 3 a-Alanine, conf. I
63043.2475 0.0110 -6.0773 3 37.9192 99 89502 3031614 3 1613 4 a-Alanine, conf. I
63093.9249 0.0327 -6.4404 3 34.2998111 89502 30318 811 17 9 8 a-Alanine, conf. I
63114.6287 0.6971 -7.3277 3 141.2242231 89502 303381029 371126 a-Alanine, conf. I
63118.4875 0.1534 -5.5690 3 95.3602189 89502 30331 923 31 824 a-Alanine, conf. I
63126.8090 0.1529 -6.8715 3 95.3599189 89502 30331 923 31 724 a-Alanine, conf. I
63167.8731 0.0126 -6.2362 3 35.0068 93 89502 3031514 1 1513 2 a-Alanine, conf. I
63167.8731 0.0126 -6.2362 3 35.0068 93 89502 3031514 2 1513 3 a-Alanine, conf. I
63198.1705 0.0878 -6.9931 3 94.9777177 89502 303291515 291415 a-Alanine, conf. I
63204.3519 0.0875 -5.5364 3 94.9777177 89502 303291514 291415 a-Alanine, conf. I
63208.5026 0.0836 -6.9137 3 75.3769171 89502 30328 622 28 623 a-Alanine, conf. I
63208.9689 0.0835 -5.6515 3 75.3769171 89502 30328 622 28 523 a-Alanine, conf. I
63216.3776 0.0832 -5.6514 3 75.3769171 89502 30328 722 28 623 a-Alanine, conf. I
63216.8438 0.0832 -6.9136 3 75.3769171 89502 30328 722 28 523 a-Alanine, conf. I
63270.0698 0.0146 -6.5192 3 32.2797 87 89502 3031414 0 1413 1 a-Alanine, conf. I
63270.0698 0.0146 -6.5192 3 32.2797 87 89502 3031414 1 1413 2 a-Alanine, conf. I
63270.9400 0.0839 -5.5355 3 94.9752177 89502 303291515 291416 a-Alanine, conf. I
63277.1215 0.0835 -6.9921 3 94.9752177 89502 303291514 291416 a-Alanine, conf. I
63304.6217 0.1445 -7.0242 3 140.1643219 89502 303361620 361522 a-Alanine, conf. I
63337.2617 0.3038 -5.5005 3 132.3364219 89502 303361225 361126 a-Alanine, conf. I
63342.7995 3.8064 -5.7269 3 425.7409387 89502 303642341 642242 a-Alanine, conf. I
63376.5340 0.4700 -5.4830 3 163.7549237 89502 303391722 391623 a-Alanine, conf. I
63400.7720 0.1798 -7.2201 3 180.1186219 89502 3033628 8 3529 7 a-Alanine, conf. I
63400.7720 0.1798 -7.2201 3 180.1186219 89502 3033628 9 3529 6 a-Alanine, conf. I
63458.2994 1.3933 -6.9579 3 209.2555273 89502 303451530 451531 a-Alanine, conf. I
63462.7996 0.0024 -5.5342 3 13.5394 81 89502 30313 112 12 211 a-Alanine, conf. I
63465.1602 0.0024 -6.0948 3 13.5394 81 89502 30313 212 12 211 a-Alanine, conf. I
63469.2393 0.0024 -6.0948 3 13.5392 81 89502 30313 112 12 111 a-Alanine, conf. I
63471.5999 0.0024 -5.5340 3 13.5392 81 89502 30313 212 12 111 a-Alanine, conf. I
63501.7362 0.0026 -6.8889 3 7.4833 57 89502 303 9 4 5 8 3 5 a-Alanine, conf. I
63507.4713 0.3780 -5.4785 3 174.7219249 89502 303411527 411428 a-Alanine, conf. I
63528.4469 0.2412 -7.1381 3 89.7700183 89502 30330 822 291119 a-Alanine, conf. I
63537.0334 0.2881 -6.8705 3 132.3297219 89502 303361225 361026 a-Alanine, conf. I
63542.5570 2.8805 -5.7620 3 455.2470399 89502 303662541 662442 a-Alanine, conf. I
63561.5613 0.1735 -7.1141 3 84.3409177 89502 30329 821 281118 a-Alanine, conf. I
63595.5880 1.9866 -5.8573 3 524.2245429 89502 303712645 712546 a-Alanine, conf. I
63614.3881 0.0848 -6.8647 3 108.2449177 89502 3032920 9 2821 8 a-Alanine, conf. I
63614.3881 0.0848 -6.8647 3 108.2449177 89502 303292010 2821 7 a-Alanine, conf. I
63639.0054 0.0425 -7.1005 3 51.1572147 89502 30324 321 24 322 a-Alanine, conf. I
63639.0064 0.0425 -5.8916 3 51.1572147 89502 30324 321 24 222 a-Alanine, conf. I
63639.0449 0.0425 -5.8916 3 51.1572147 89502 30324 421 24 322 a-Alanine, conf. I
63639.0460 0.0425 -7.1005 3 51.1572147 89502 30324 421 24 222 a-Alanine, conf. I
63691.1217 0.2308 -6.9234 3 157.5110237 89502 303391426 391227 a-Alanine, conf. I
63736.4155 0.0416 -6.4528 3 39.0351117 89502 30319 911 1810 8 a-Alanine, conf. I
63745.2712 0.4066 -7.1576 3 77.3062171 89502 30328 821 27 918 a-Alanine, conf. I
63772.0010 0.0710 -6.1866 3 11.5285 69 -89502 30311 4 7 10 4 6 a-Alanine, conf. I
63776.0502 0.3541 -7.0690 3 136.1164219 89502 303361423 361224 a-Alanine, conf. I
63871.6270 0.0520 -5.8013 3 5.7714 45 -89502 303 7 6 2 6 5 1 a-Alanine, conf. I
63872.6217 0.0016 -6.9218 3 5.7714 45 89502 303 7 6 1 6 5 1 a-Alanine, conf. I
63878.2940 0.0720 -6.9218 3 5.7711 45 -89502 303 7 6 2 6 5 2 a-Alanine, conf. I
63879.3140 0.0490 -5.8012 3 5.7711 45 -89502 303 7 6 1 6 5 2 a-Alanine, conf. I
63883.1032 1.8920 -7.1605 3 254.6297297 89502 303492030 491930 a-Alanine, conf. I
63955.2902 0.0729 -6.9874 3 89.5925171 89502 303281514 281414 a-Alanine, conf. I
63957.4086 0.0728 -5.5447 3 89.5925171 89502 303281513 281414 a-Alanine, conf. I
63961.8775 0.1683 -5.4779 3 133.4075213 89502 303351620 351521 a-Alanine, conf. I
63983.2291 0.0714 -5.5443 3 89.5915171 89502 303281514 281415 a-Alanine, conf. I
63985.3475 0.0713 -6.9870 3 89.5915171 89502 303281513 281415 a-Alanine, conf. I
64029.0222 0.0016 -5.9253 3 6.3803 51 89502 303 8 5 4 7 4 3 a-Alanine, conf. I
64081.8778 2.4685 -5.6030 3 330.0877339 89502 303562234 562135 a-Alanine, conf. I
64092.3135 0.0473 -6.4756 3 44.1128123 89502 303201011 1911 8 a-Alanine, conf. I
64106.5036 0.1994 -7.2456 3 191.2589225 89502 3033729 8 3630 7 a-Alanine, conf. I
64106.5036 0.1994 -7.2456 3 191.2589225 89502 3033729 9 3630 6 a-Alanine, conf. I
64124.4195 0.1544 -6.9986 3 133.4075213 89502 303351619 351521 a-Alanine, conf. I
64166.8685 0.2588 -7.1115 3 161.6145237 89502 303391623 391525 a-Alanine, conf. I
64180.0973 0.1297 -5.4687 3 186.8103255 89502 303421726 421627 a-Alanine, conf. I
64187.9806 0.0015 -6.9350 3 6.3803 51 89502 303 8 5 3 7 4 3 a-Alanine, conf. I
64224.2679 0.4148 -7.1844 3 108.3565195 89502 303321320 321121 a-Alanine, conf. I
64255.7094 0.2158 -6.8501 3 109.0512201 89502 30333 924 33 925 a-Alanine, conf. I
64275.4646 0.2145 -5.5296 3 109.0505201 89502 30333 924 33 825 a-Alanine, conf. I
64280.7675 0.0509 -6.4728 3 44.1127123 89502 303201010 1911 9 a-Alanine, conf. I
64287.8646 0.0930 -6.8882 3 116.8661183 89502 3033021 9 2922 8 a-Alanine, conf. I
64287.8646 0.0930 -6.8882 3 116.8661183 89502 303302110 2922 7 a-Alanine, conf. I
64289.1382 1.1262 -5.5023 3 225.0516279 89502 303461927 461828 a-Alanine, conf. I
64337.3137 3.7316 -5.8097 3 494.7424417 89502 303692544 692445 a-Alanine, conf. I
64340.4887 0.3641 -5.4805 3 148.2012231 89502 303381326 381227 a-Alanine, conf. I
64392.1364 0.1192 -5.4695 3 194.9042261 89502 303431727 431628 a-Alanine, conf. I
64402.0115 0.1974 -6.9844 3 126.8718207 89502 303341619 341519 a-Alanine, conf. I
64435.7103 0.0515 -6.5007 3 49.5310129 89502 303211111 2012 8 a-Alanine, conf. I
64462.8496 0.2030 -5.5272 3 109.0512201 89502 303331024 33 925 a-Alanine, conf. I
64468.3551 5.3715 -7.1981 3 373.3708363 89502 303602139 602140 a-Alanine, conf. I
64470.0270 0.1914 -5.4808 3 126.8718207 89502 303341618 341519 a-Alanine, conf. I
64473.5818 0.0523 -6.4411 3 39.0344117 89502 30319 910 1810 9 a-Alanine, conf. I
64478.9843 0.0526 -6.5000 3 49.5309129 89502 303211110 2012 9 a-Alanine, conf. I
64482.6048 0.2017 -6.8473 3 109.0505201 89502 303331024 33 825 a-Alanine, conf. I
64489.6817 0.1792 -5.4640 3 178.8979249 89502 303411725 411626 a-Alanine, conf. I
64520.1954 0.0517 -6.0400 3 45.1256141 89502 30323 221 23 122 a-Alanine, conf. I
64520.1954 0.0517 -7.2327 3 45.1256141 89502 30323 221 23 222 a-Alanine, conf. I
64520.1984 0.0517 -6.0400 3 45.1256141 89502 30323 321 23 222 a-Alanine, conf. I
64520.1985 0.0517 -7.2327 3 45.1256141 89502 30323 321 23 122 a-Alanine, conf. I
64568.0087 0.0611 -6.9387 3 68.4290165 89502 30327 522 27 523 a-Alanine, conf. I
64568.0637 0.0611 -5.6969 3 68.4290165 89502 30327 522 27 423 a-Alanine, conf. I
64569.1885 0.0611 -5.6969 3 68.4290165 89502 30327 622 27 523 a-Alanine, conf. I
64569.2435 0.0611 -6.9386 3 68.4290165 89502 30327 622 27 423 a-Alanine, conf. I
64599.6463 0.0609 -6.9864 3 84.4056165 89502 303271513 271413 a-Alanine, conf. I
64600.3304 0.0608 -5.5567 3 84.4056165 89502 303271512 271413 a-Alanine, conf. I
64609.7781 0.0604 -5.5565 3 84.4052165 89502 303271513 271414 a-Alanine, conf. I
64610.4623 0.0603 -6.9863 3 84.4052165 89502 303271512 271414 a-Alanine, conf. I
64662.0206 0.5960 -7.2657 3 134.4491225 89502 30337 928 361225 a-Alanine, conf. I
64671.2196 2.3124 -5.5505 3 280.4581315 89502 303521834 521735 a-Alanine, conf. I
64679.4119 0.0029 -6.1469 3 13.2874 75 89502 30312 4 9 11 4 8 a-Alanine, conf. I
64726.0223 0.0028 -7.2831 3 3.4733 45 89502 303 7 2 5 6 1 6 a-Alanine, conf. I
64729.4603 0.0014 -6.9316 3 6.3569 51 89502 303 8 5 4 7 4 4 a-Alanine, conf. I
64734.8647 0.3288 -6.8711 3 148.1880231 89502 303381326 381127 a-Alanine, conf. I
64740.3287 1.2139 -5.4952 3 209.2128273 89502 303451530 451431 a-Alanine, conf. I
64812.8350 0.2206 -7.2716 3 202.7365231 89502 3033830 8 3731 7 a-Alanine, conf. I
64812.8350 0.2206 -7.2716 3 202.7365231 89502 3033830 9 3731 6 a-Alanine, conf. I
64838.7148 0.0555 -6.5257 3 55.2886135 89502 303221211 2113 8 a-Alanine, conf. I
64847.8517 0.0557 -6.5255 3 55.2886135 89502 303221210 2113 9 a-Alanine, conf. I
64849.0391 0.1473 -7.1383 3 85.9163177 89502 30329 920 281217 a-Alanine, conf. I
64865.6568 0.1187 -6.8662 3 87.7372183 89502 30330 723 30 724 a-Alanine, conf. I
64866.9930 0.1186 -5.5879 3 87.7372183 89502 30330 723 30 624 a-Alanine, conf. I
64885.0477 0.1177 -5.5877 3 87.7372183 89502 30330 823 30 724 a-Alanine, conf. I
64886.3839 0.1176 -6.8659 3 87.7372183 89502 30330 823 30 624 a-Alanine, conf. I
64888.4410 0.0490 -5.9204 3 6.3569 51 -89502 303 8 5 3 7 4 4 a-Alanine, conf. I
64910.7976 0.0404 -6.9015 3 26.7519 99 89502 30316 7 9 16 412 a-Alanine, conf. I
64913.4493 0.0043 -5.4087 3 14.4023 87 89502 30314 014 13 113 a-Alanine, conf. I
64913.4611 0.0043 -6.0272 3 14.4023 87 89502 30314 114 13 113 a-Alanine, conf. I
64913.4852 0.0043 -6.0272 3 14.4023 87 89502 30314 014 13 013 a-Alanine, conf. I
64913.4970 0.0043 -5.4087 3 14.4023 87 89502 30314 114 13 013 a-Alanine, conf. I
64938.9175 0.6486 -5.8887 3 554.4945441 89502 303732746 732647 a-Alanine, conf. I
64966.6994 0.1022 -6.9119 3 125.8250189 89502 3033122 9 3023 8 a-Alanine, conf. I
64966.6994 0.1022 -6.9119 3 125.8250189 89502 303312210 3023 7 a-Alanine, conf. I
64967.6439 0.3760 -5.4669 3 192.7371261 89502 303431628 431529 a-Alanine, conf. I
64980.2675 0.0051 -5.8974 3 11.1199 69 89502 30311 4 8 10 3 7 a-Alanine, conf. I
64992.0787 0.1537 -5.4741 3 126.8521207 89502 303341619 341520 a-Alanine, conf. I
65060.0942 0.1480 -6.9762 3 126.8521207 89502 303341618 341520 a-Alanine, conf. I
65084.6125 2.2817 -7.0064 3 258.7851303 89502 303501733 501734 a-Alanine, conf. I
65089.4710 2.4731 -7.1907 3 286.0318315 89502 303522132 522032 a-Alanine, conf. I
65149.8379 3.0601 -5.8043 3 496.8884417 89502 303692643 692544 a-Alanine, conf. I
65154.5463 0.0508 -6.9902 3 79.4149159 89502 303261512 261412 a-Alanine, conf. I
65154.7536 0.0508 -5.5724 3 79.4149159 89502 303261511 261412 a-Alanine, conf. I
65158.0062 0.0507 -5.5723 3 79.4148159 89502 303261512 261413 a-Alanine, conf. I
65158.2134 0.0507 -6.9901 3 79.4148159 89502 303261511 261413 a-Alanine, conf. I
65160.0078 0.0334 -6.2301 3 19.4954 87 89502 30314 5 9 13 6 8 a-Alanine, conf. I
65169.6591 0.7409 -7.0450 3 189.0890255 89502 303421825 421725 a-Alanine, conf. I
65191.2868 0.2135 -5.4567 3 171.1743243 89502 303401724 401625 a-Alanine, conf. I
65218.1516 0.2084 -5.4657 3 203.1716267 89502 303441728 441629 a-Alanine, conf. I
65218.7897 1.0064 -6.9050 3 190.4181261 89502 303431429 431430 a-Alanine, conf. I
65258.8323 0.2906 -6.8382 3 123.6066213 89502 303351025 351026 a-Alanine, conf. I
65279.4086 0.0655 -6.3147 3 39.3223135 89502 30322 121 22 022 a-Alanine, conf. I
65279.4088 0.0655 -6.3147 3 39.3223135 89502 30322 221 22 122 a-Alanine, conf. I
65303.0585 0.2872 -5.4991 3 123.6052213 89502 303351025 35 926 a-Alanine, conf. I
65303.9534 0.0595 -6.5503 3 61.3853141 89502 303231311 2214 8 a-Alanine, conf. I
65305.7538 0.0595 -6.5502 3 61.3853141 89502 303231310 2214 9 a-Alanine, conf. I
65322.8378 0.4210 -5.4659 3 164.9215243 89502 303401427 401328 a-Alanine, conf. I
65348.2062 0.0053 -6.8880 3 21.4453 75 89502 3031211 1 1111 0 a-Alanine, conf. I
65348.2062 0.0053 -6.8880 3 21.4453 75 89502 3031211 2 1111 1 a-Alanine, conf. I
65461.2442 0.0040 -6.6013 3 19.8045 75 89502 3031210 3 1110 2 a-Alanine, conf. I
65461.2462 0.0040 -6.6013 3 19.8045 75 89502 3031210 2 1110 1 a-Alanine, conf. I
65472.0683 3.5788 -7.0867 3 313.4955333 89502 303551936 551937 a-Alanine, conf. I
65485.1876 2.9187 -5.6302 3 365.7196357 89502 303592336 592237 a-Alanine, conf. I
65519.5883 0.2434 -7.2982 3 214.5513237 89502 3033931 8 3832 7 a-Alanine, conf. I
65519.5883 0.2434 -7.2982 3 214.5513237 89502 3033931 9 3832 6 a-Alanine, conf. I
65551.0014 0.3762 -6.9964 3 156.3719231 89502 303381722 381622 a-Alanine, conf. I
65577.3767 0.0584 -6.3973 3 34.2963111 89502 30318 810 17 9 9 a-Alanine, conf. I
65616.3078 0.0033 -6.4404 3 18.3244 75 89502 30312 9 4 11 9 3 a-Alanine, conf. I
65616.4061 0.0033 -6.4404 3 18.3244 75 89502 30312 9 3 11 9 2 a-Alanine, conf. I
65634.5249 0.2080 -6.9436 3 52.2895141 89502 30323 717 22 814 a-Alanine, conf. I
65635.1848 0.0422 -6.9987 3 74.6189153 89502 303251511 251411 a-Alanine, conf. I
65635.2433 0.0422 -5.5920 3 74.6189153 89502 303251510 251411 a-Alanine, conf. I
65636.2927 0.0422 -5.5920 3 74.6188153 89502 303251511 251412 a-Alanine, conf. I
65636.3513 0.0422 -6.9986 3 74.6188153 89502 303251510 251412 a-Alanine, conf. I
65649.9365 0.1124 -6.9360 3 135.1214195 89502 3033223 9 3124 8 a-Alanine, conf. I
65649.9365 0.1124 -6.9360 3 135.1214195 89502 303322310 3124 7 a-Alanine, conf. I
65669.4385 0.0033 -7.0767 3 6.5747 57 89502 303 9 2 7 8 1 7 a-Alanine, conf. I
65672.7543 0.2611 -5.4944 3 123.6066213 89502 303351125 351026 a-Alanine, conf. I
65699.7222 0.1663 -6.9771 3 166.9482243 89502 303401526 401327 a-Alanine, conf. I
65706.7281 0.1552 -6.9614 3 120.5074201 89502 303331618 331518 a-Alanine, conf. I
65716.9804 0.2577 -6.8325 3 123.6052213 89502 303351125 35 926 a-Alanine, conf. I
65731.1477 0.0488 -6.9860 3 61.6977159 89502 30326 422 26 423 a-Alanine, conf. I
65731.1529 0.0488 -5.7627 3 61.6977159 89502 30326 422 26 323 a-Alanine, conf. I
65731.2936 0.0488 -5.7626 3 61.6977159 89502 30326 522 26 423 a-Alanine, conf. I
65731.2987 0.0488 -6.9860 3 61.6977159 89502 30326 522 26 323 a-Alanine, conf. I
65733.8874 0.1530 -5.4754 3 120.5074201 89502 303331617 331518 a-Alanine, conf. I
65768.8177 3.2015 -5.5980 3 337.2004345 89502 303572037 571938 a-Alanine, conf. I
65781.2031 0.3505 -5.4577 3 156.3719231 89502 303381721 381622 a-Alanine, conf. I
65818.9811 0.0637 -6.5745 3 67.8206147 89502 303241411 2315 8 a-Alanine, conf. I
65819.3158 0.0638 -6.5745 3 67.8206147 89502 303241410 2315 9 a-Alanine, conf. I
65837.4423 0.0035 -6.3310 3 17.0067 75 89502 30312 8 5 11 8 4 a-Alanine, conf. I
65838.8242 0.0184 -6.0197 3 16.2507 81 89502 30313 4 9 12 5 8 a-Alanine, conf. I
65840.4715 0.0035 -6.3310 3 17.0067 75 89502 30312 8 4 11 8 3 a-Alanine, conf. I
65850.6142 0.6468 -5.4644 3 189.0890255 89502 303421824 421725 a-Alanine, conf. I
65924.0197 0.9168 -5.4747 3 190.3946261 89502 303431429 431330 a-Alanine, conf. I
65967.7905 0.3910 -6.8368 3 139.0237225 89502 303371126 371127 a-Alanine, conf. I
65969.1286 0.1364 -5.4724 3 120.4986201 89502 303331618 331519 a-Alanine, conf. I
65996.2879 0.1342 -6.9578 3 120.4986201 89502 303331617 331519 a-Alanine, conf. I
66052.3575 0.0348 -7.0122 3 70.0161147 89502 303241510 241410 a-Alanine, conf. I
66052.3729 0.0348 -5.6159 3 70.0161147 89502 3032415 9 241410 a-Alanine, conf. I
66052.6885 0.0348 -5.6159 3 70.0161147 89502 303241510 241411 a-Alanine, conf. I
66052.7038 0.0348 -7.0122 3 70.0161147 89502 3032415 9 241411 a-Alanine, conf. I
66055.3808 0.1493 -6.9328 3 174.6369249 89502 303411527 411328 a-Alanine, conf. I
66061.9121 0.3826 -5.4782 3 139.0206225 89502 303371126 371027 a-Alanine, conf. I
66070.2834 0.3462 -6.8778 3 164.8966243 89502 303401427 401228 a-Alanine, conf. I
66097.8743 0.7268 -6.8687 3 172.4321249 89502 303411328 411329 a-Alanine, conf. I
66098.2743 2.7473 -5.9001 3 568.8026447 89502 303742747 742648 a-Alanine, conf. I
66120.7285 0.0028 -6.1196 3 13.1811 75 89502 30312 3 9 11 3 8 a-Alanine, conf. I
66130.7090 1.4593 -5.5066 3 254.6297297 89502 303492029 491930 a-Alanine, conf. I
66133.2377 3.1777 -7.2281 3 319.2551333 89502 303552234 552134 a-Alanine, conf. I
66144.3049 0.2259 -5.4482 3 163.6456237 89502 303391723 391624 a-Alanine, conf. I
66152.9756 0.0043 -6.2499 3 15.8549 75 89502 30312 7 6 11 7 5 a-Alanine, conf. I
66206.6269 0.7044 -7.2436 3 134.3979225 89502 303371028 361125 a-Alanine, conf. I
66209.8746 0.0046 -6.2492 3 15.8556 75 89502 30312 7 5 11 7 4 a-Alanine, conf. I
66228.0885 0.0043 -6.1513 3 14.0416 75 89502 30312 5 8 11 5 7 a-Alanine, conf. I
66266.4860 0.1178 -7.0330 3 171.1743243 89502 303401723 401625 a-Alanine, conf. I
66271.2894 0.0173 -6.3930 3 33.0906111 89502 30318 712 17 8 9 a-Alanine, conf. I
66290.8406 0.5300 -6.8465 3 155.2998237 89502 303391227 391228 a-Alanine, conf. I
66336.8012 0.1238 -6.9604 3 144.7554201 89502 3033324 9 3225 8 a-Alanine, conf. I
66336.8012 0.1238 -6.9604 3 144.7554201 89502 303332410 3225 7 a-Alanine, conf. I
66344.2287 0.4673 -5.4556 3 182.4953255 89502 303421528 421429 a-Alanine, conf. I
66350.5422 4.0854 -5.6657 3 399.0704375 89502 303622240 622141 a-Alanine, conf. I
66371.7335 0.0683 -6.5984 3 74.5943153 89502 303251511 2416 8 a-Alanine, conf. I
66371.7926 0.0683 -6.5984 3 74.5943153 89502 303251510 2416 9 a-Alanine, conf. I
66375.6887 0.1633 -6.8316 3 100.9683195 89502 30332 824 32 825 a-Alanine, conf. I
66379.1998 0.1630 -5.5371 3 100.9682195 89502 30332 824 32 725 a-Alanine, conf. I
66400.7407 0.0880 -6.8758 3 80.3214177 89502 30329 623 29 624 a-Alanine, conf. I
66400.9226 0.0880 -5.6189 3 80.3214177 89502 30329 623 29 524 a-Alanine, conf. I
66404.0101 0.0878 -5.6189 3 80.3214177 89502 30329 723 29 624 a-Alanine, conf. I
66404.1919 0.0878 -6.8757 3 80.3214177 89502 30329 723 29 524 a-Alanine, conf. I
66414.3497 0.0283 -7.0313 3 65.6052141 89502 3032315 9 2314 9 a-Alanine, conf. I
66414.3534 0.0283 -5.6447 3 65.6052141 89502 3032315 8 2314 9 a-Alanine, conf. I
66414.4413 0.0283 -5.6447 3 65.6052141 89502 3032315 9 231410 a-Alanine, conf. I
66414.4450 0.0283 -7.0313 3 65.6052141 89502 3032315 8 231410 a-Alanine, conf. I
66420.2790 0.1606 -5.5366 3 100.9683195 89502 30332 924 32 825 a-Alanine, conf. I
66423.7901 0.1604 -6.8310 3 100.9682195 89502 30332 924 32 725 a-Alanine, conf. I
66466.8720 0.5647 -7.1612 3 100.9668195 89502 30332 924 311021 a-Alanine, conf. I
66471.8958 0.0050 -6.1886 3 14.8719 75 89502 30312 6 7 11 6 6 a-Alanine, conf. I
66472.3322 0.6842 -5.4654 3 172.4196249 89502 303411328 411229 a-Alanine, conf. I
66482.3979 0.5107 -5.4668 3 155.2934237 89502 303391227 391128 a-Alanine, conf. I
66488.0538 0.0028 -5.5887 3 14.5579 81 89502 30313 211 12 310 a-Alanine, conf. I
66551.8212 0.0028 -6.0711 3 14.5579 81 89502 30313 311 12 310 a-Alanine, conf. I
66641.3795 0.0029 -6.0698 3 14.5528 81 89502 30313 211 12 210 a-Alanine, conf. I
66653.1566 0.1737 -7.0024 3 163.6456237 89502 303391722 391624 a-Alanine, conf. I
66654.9331 0.1507 -7.0645 3 178.8979249 89502 303411724 411626 a-Alanine, conf. I
66693.6657 0.3455 -5.4571 3 211.6047273 89502 303451729 451630 a-Alanine, conf. I
66705.1469 0.0030 -5.5855 3 14.5528 81 89502 30313 311 12 210 a-Alanine, conf. I
66705.4199 0.6938 -7.1914 3 152.3329231 89502 303381523 381425 a-Alanine, conf. I
66714.4941 4.7084 -5.7496 3 466.0415405 89502 303672443 672344 a-Alanine, conf. I
66727.8920 0.0228 -7.0568 3 61.3853135 89502 3032215 8 2214 8 a-Alanine, conf. I
66727.8928 0.0228 -5.6794 3 61.3853135 89502 3032215 7 2214 8 a-Alanine, conf. I
66727.9152 0.0228 -5.6794 3 61.3853135 89502 3032215 8 2214 9 a-Alanine, conf. I
66727.9160 0.0228 -7.0568 3 61.3853135 89502 3032215 7 2214 9 a-Alanine, conf. I
66734.3955 0.0497 -7.0651 3 55.1874153 89502 30325 322 25 323 a-Alanine, conf. I
66734.3959 0.0497 -5.8585 3 55.1874153 89502 30325 322 25 223 a-Alanine, conf. I
66734.4099 0.0497 -5.8585 3 55.1874153 89502 30325 422 25 323 a-Alanine, conf. I
66734.4102 0.0497 -7.0651 3 55.1874153 89502 30325 422 25 223 a-Alanine, conf. I
66753.8980 0.1266 -6.9449 3 114.3502195 89502 303321617 321517 a-Alanine, conf. I
66758.4952 0.3270 -5.4694 3 139.0237225 89502 303371226 371127 a-Alanine, conf. I
66764.2357 0.1258 -5.4747 3 114.3502195 89502 303321616 321517 a-Alanine, conf. I
66814.7938 3.2010 -5.8515 3 540.3298435 89502 303722745 722646 a-Alanine, conf. I
66852.6168 0.3187 -6.8260 3 139.0206225 89502 303371226 371027 a-Alanine, conf. I
66864.8723 0.1189 -5.4734 3 114.3465195 89502 303321617 321518 a-Alanine, conf. I
66875.2099 0.1181 -6.9434 3 114.3465195 89502 303321616 321518 a-Alanine, conf. I
66881.0365 3.3964 -5.6632 3 403.1651375 89502 303622438 622339 a-Alanine, conf. I
66931.5080 0.5499 -7.1934 3 127.7988219 89502 30336 927 351224 a-Alanine, conf. I
66953.0151 0.0020 -7.0636 3 6.5836 57 89502 303 9 3 7 8 2 7 a-Alanine, conf. I
66953.0969 0.0733 -6.6222 3 81.7063159 89502 303261611 2517 8 a-Alanine, conf. I
66953.1069 0.0733 -6.6222 3 81.7063159 89502 303261610 2517 9 a-Alanine, conf. I
66998.6616 0.0183 -7.0899 3 57.3551129 89502 3032115 7 2114 7 a-Alanine, conf. I
66998.6617 0.0183 -5.7211 3 57.3551129 89502 3032115 6 2114 7 a-Alanine, conf. I
66998.6669 0.0183 -5.7211 3 57.3551129 89502 3032115 7 2114 8 a-Alanine, conf. I
66998.6671 0.0183 -7.0899 3 57.3551129 89502 3032115 6 2114 8 a-Alanine, conf. I
67026.6578 0.1365 -6.9851 3 154.7268207 89502 3033425 9 3326 8 a-Alanine, conf. I
67026.6578 0.1365 -6.9851 3 154.7268207 89502 303342510 3326 7 a-Alanine, conf. I
67028.6936 0.4997 -5.9387 3 600.3014459 89502 303762848 762749 a-Alanine, conf. I
67032.7101 4.0193 -7.2722 3 354.2967351 89502 303582336 582236 a-Alanine, conf. I
67040.0475 0.5739 -7.1408 3 169.1397243 89502 303401624 401526 a-Alanine, conf. I
67078.4106 0.0074 -6.1803 3 14.8839 75 89502 30312 6 6 11 6 5 a-Alanine, conf. I
67080.5662 0.4113 -7.0225 3 159.3770237 89502 303391525 391326 a-Alanine, conf. I
67201.5195 1.8931 -5.5056 3 258.7145303 89502 303501733 501634 a-Alanine, conf. I
67221.4191 0.2211 -5.4399 3 156.3162231 89502 303381722 381623 a-Alanine, conf. I
67231.5638 0.0149 -5.7719 3 53.5139123 89502 3032015 5 2014 6 a-Alanine, conf. I
67231.5638 0.0149 -7.1327 3 53.5139123 89502 3032015 6 2014 6 a-Alanine, conf. I
67231.5649 0.0149 -7.1327 3 53.5139123 89502 3032015 5 2014 7 a-Alanine, conf. I
67231.5649 0.0149 -5.7719 3 53.5139123 89502 3032015 6 2014 7 a-Alanine, conf. I
67292.8224 4.7006 -5.8453 3 538.0852435 89502 303722646 722547 a-Alanine, conf. I
67296.1199 1.0186 -7.0513 3 216.2503273 89502 303451927 451827 a-Alanine, conf. I
67306.4798 0.7585 -7.2479 3 136.3879219 89502 303361422 361324 a-Alanine, conf. I
67388.3613 0.5298 -7.1201 3 129.2245213 89502 303351422 351223 a-Alanine, conf. I
67430.9052 0.0130 -5.8350 3 49.8608117 89502 3031915 4 1914 5 a-Alanine, conf. I
67430.9052 0.0130 -7.1881 3 49.8608117 89502 3031915 5 1914 5 a-Alanine, conf. I
67430.9054 0.0130 -7.1881 3 49.8608117 89502 3031915 4 1914 6 a-Alanine, conf. I
67430.9054 0.0130 -5.8350 3 49.8608117 89502 3031915 5 1914 6 a-Alanine, conf. I
67451.6207 0.1970 -6.9737 3 156.3162231 89502 303381721 381623 a-Alanine, conf. I
67453.8563 0.1464 -5.4488 3 213.8294273 89502 303451828 451729 a-Alanine, conf. I
67475.0109 0.4946 -5.4487 3 200.9208267 89502 303441629 441530 a-Alanine, conf. I
67517.3335 0.2796 -6.9586 3 149.2154225 89502 303371721 371621 a-Alanine, conf. I
67541.4395 0.0022 -6.9265 3 7.2181 57 89502 303 9 4 6 8 3 6 a-Alanine, conf. I
67556.4924 0.0787 -6.6460 3 89.1564165 89502 303271711 2618 8 a-Alanine, conf. I
67556.4940 0.0787 -6.6460 3 89.1564165 89502 303271710 2618 9 a-Alanine, conf. I
67600.5109 0.0127 -5.9157 3 46.3950111 89502 3031815 3 1814 4 a-Alanine, conf. I
67600.5109 0.0127 -7.2616 3 46.3950111 89502 3031815 3 1814 5 a-Alanine, conf. I
67600.5109 0.0127 -7.2616 3 46.3950111 89502 3031815 4 1814 4 a-Alanine, conf. I
67600.5109 0.0127 -5.9157 3 46.3950111 89502 3031815 4 1814 5 a-Alanine, conf. I
67603.2965 0.0605 -6.0071 3 48.9022147 89502 30324 222 24 123 a-Alanine, conf. I
67603.2965 0.0605 -7.1984 3 48.9022147 89502 30324 222 24 223 a-Alanine, conf. I
67603.2975 0.0605 -7.1984 3 48.9022147 89502 30324 322 24 123 a-Alanine, conf. I
67603.2975 0.0605 -6.0071 3 48.9022147 89502 30324 322 24 223 a-Alanine, conf. I
67617.0194 0.2688 -5.4413 3 149.2154225 89502 303371720 371621 a-Alanine, conf. I
67625.0971 0.1056 -6.9337 3 108.3961189 89502 303311616 311516 a-Alanine, conf. I
67628.8412 0.1054 -5.4777 3 108.3961189 89502 303311615 311516 a-Alanine, conf. I
67669.7337 0.1027 -5.4772 3 108.3946189 89502 303311616 311517 a-Alanine, conf. I
67673.4778 0.1024 -6.9331 3 108.3946189 89502 303311615 311517 a-Alanine, conf. I
67680.8220 0.0053 -6.6895 3 5.2257 51 89502 303 8 3 5 7 2 6 a-Alanine, conf. I
67683.6527 0.2088 -5.4427 3 205.3470267 89502 303441827 441728 a-Alanine, conf. I
67707.5036 0.3179 -6.8894 3 182.4499255 89502 303421528 421329 a-Alanine, conf. I
67711.4462 0.0657 -6.9029 3 73.1183171 89502 30328 523 28 524 a-Alanine, conf. I
67711.4667 0.0657 -5.6652 3 73.1183171 89502 30328 523 28 424 a-Alanine, conf. I
67711.9125 0.0657 -5.6651 3 73.1183171 89502 30328 623 28 524 a-Alanine, conf. I
67711.9330 0.0657 -6.9029 3 73.1183171 89502 30328 623 28 424 a-Alanine, conf. I
67718.9796 0.1505 -7.0103 3 165.0356213 89502 3033526 9 3427 8 a-Alanine, conf. I
67718.9796 0.1505 -7.0103 3 165.0356213 89502 303352610 3427 7 a-Alanine, conf. I
67722.7405 0.2193 -6.8081 3 115.0675207 89502 30334 925 34 926 a-Alanine, conf. I
67731.3350 0.2186 -5.4971 3 115.0673207 89502 30334 925 34 826 a-Alanine, conf. I
67739.2660 0.3988 -5.4513 3 155.2998237 89502 303391327 391228 a-Alanine, conf. I
67743.8080 0.0138 -6.0241 3 43.1156105 89502 3031715 2 1714 3 a-Alanine, conf. I
67743.8080 0.0138 -6.0241 3 43.1156105 89502 3031715 3 1714 4 a-Alanine, conf. I
67780.8808 0.1581 -5.4510 3 222.4914279 89502 303461829 461730 a-Alanine, conf. I
67819.5187 0.2126 -5.4960 3 115.0675207 89502 303341025 34 926 a-Alanine, conf. I
67828.1132 0.2120 -6.8068 3 115.0673207 89502 303341025 34 826 a-Alanine, conf. I
67863.8888 0.0158 -6.1832 3 40.0221 99 89502 3031615 1 1614 2 a-Alanine, conf. I
67863.8888 0.0158 -6.1832 3 40.0221 99 89502 3031615 2 1614 3 a-Alanine, conf. I
67864.9067 1.8537 -5.5185 3 286.0318315 89502 303522131 522032 a-Alanine, conf. I
67867.1835 0.0054 -5.7801 3 13.1811 75 89502 30312 4 9 11 3 8 a-Alanine, conf. I
67895.5017 1.6807 -6.9333 3 237.8381291 89502 303481632 481633 a-Alanine, conf. I
67930.8233 0.3797 -6.8269 3 155.2934237 89502 303391327 391128 a-Alanine, conf. I
67963.5590 0.0181 -6.4665 3 37.1139 93 89502 3031515 0 1514 1 a-Alanine, conf. I
67963.5590 0.0181 -6.4665 3 37.1139 93 89502 3031515 1 1514 2 a-Alanine, conf. I
67989.1560 0.0029 -5.4379 3 15.6564 87 89502 30314 113 13 212 a-Alanine, conf. I
67990.0055 0.0029 -6.0057 3 15.6564 87 89502 30314 213 13 212 a-Alanine, conf. I
67991.5165 0.0029 -6.0056 3 15.6563 87 89502 30314 113 13 112 a-Alanine, conf. I
67992.3660 0.0029 -5.4379 3 15.6563 87 89502 30314 213 13 112 a-Alanine, conf. I
68107.1439 0.1237 -6.8287 3 93.0881189 89502 30331 724 31 725 a-Alanine, conf. I
68107.6823 0.1237 -5.5568 3 93.0881189 89502 30331 724 31 625 a-Alanine, conf. I
68115.4654 0.1233 -5.5567 3 93.0881189 89502 30331 824 31 725 a-Alanine, conf. I
68116.0038 0.1233 -6.8286 3 93.0881189 89502 30331 824 31 625 a-Alanine, conf. I
68177.1403 0.0846 -6.6698 3 96.9445171 89502 303281811 2719 8 a-Alanine, conf. I
68177.1406 0.0846 -6.6698 3 96.9445171 89502 303281810 2719 9 a-Alanine, conf. I
68185.1935 0.0570 -7.2063 3 22.8533 93 89502 30315 6 9 15 312 a-Alanine, conf. I
68187.4161 0.8721 -5.4553 3 216.2503273 89502 303451926 451827 a-Alanine, conf. I
68217.1553 0.0639 -6.3208 3 29.8977105 89502 30317 710 16 8 9 a-Alanine, conf. I
68254.0986 0.5270 -6.9867 3 181.1212249 89502 303411824 411724 a-Alanine, conf. I
68285.8450 3.8958 -5.7016 3 442.4206393 89502 303652540 652441 a-Alanine, conf. I
68314.0087 0.4173 -7.0957 3 186.8103255 89502 303421725 421627 a-Alanine, conf. I
68324.0793 0.2055 -5.4327 3 149.1885225 89502 303371721 371622 a-Alanine, conf. I
68347.1907 0.2596 -5.4336 3 197.0521261 89502 303431826 431727 a-Alanine, conf. I
68357.2725 0.0758 -6.2820 3 42.8454141 89502 30323 122 23 023 a-Alanine, conf. I
68357.2725 0.0758 -6.2820 3 42.8454141 89502 30323 222 23 123 a-Alanine, conf. I
68367.8337 0.0892 -6.9270 3 102.6421183 89502 303301615 301515 a-Alanine, conf. I
68369.1209 0.0891 -5.4842 3 102.6421183 89502 303301614 301515 a-Alanine, conf. I
68384.8915 0.0881 -5.4840 3 102.6415183 89502 303301615 301516 a-Alanine, conf. I
68386.1787 0.0880 -6.9268 3 102.6415183 89502 303301614 301516 a-Alanine, conf. I
68413.3254 0.1659 -7.0359 3 175.6818219 89502 3033627 9 3528 8 a-Alanine, conf. I
68413.3254 0.1659 -7.0359 3 175.6818219 89502 303362710 3528 7 a-Alanine, conf. I
68423.7652 0.1952 -6.9479 3 149.1885225 89502 303371720 371622 a-Alanine, conf. I
68426.2978 0.0181 -6.8128 3 30.8081105 89502 30317 8 9 17 512 a-Alanine, conf. I
68535.2313 0.0021 -5.8903 3 7.8848 57 89502 303 9 5 5 8 4 4 a-Alanine, conf. I
68537.2083 3.3010 -5.9035 3 585.5670453 89502 303752847 752748 a-Alanine, conf. I
68570.9112 0.4840 -5.4339 3 181.1212249 89502 303411823 411724 a-Alanine, conf. I
68576.7449 0.0019 -5.6552 3 6.6285 45 89502 303 7 7 1 6 6 0 a-Alanine, conf. I
68576.7530 0.0019 -6.8097 3 6.6285 45 89502 303 7 7 0 6 6 0 a-Alanine, conf. I
68576.8172 0.0019 -6.8097 3 6.6285 45 89502 303 7 7 1 6 6 1 a-Alanine, conf. I
68576.8252 0.0019 -5.6552 3 6.6285 45 89502 303 7 7 0 6 6 1 a-Alanine, conf. I
68579.6607 0.0053 -5.7050 3 15.4449 81 89502 30313 310 12 4 9 a-Alanine, conf. I
68587.6884 0.2947 -7.1386 3 98.6790189 89502 303311021 301318 a-Alanine, conf. I
68628.2713 3.6289 -5.9482 3 615.1733465 89502 303772849 772750 a-Alanine, conf. I
68645.7838 0.4727 -5.4390 3 172.4321249 89502 303411428 411329 a-Alanine, conf. I
68711.4089 6.2627 -7.2048 3 411.1650381 89502 303632241 632242 a-Alanine, conf. I
68744.8783 0.2863 -5.4484 3 231.3251285 89502 303471830 471731 a-Alanine, conf. I
68790.9598 0.4939 -5.4442 3 220.1968279 89502 303461730 461631 a-Alanine, conf. I
68811.4994 0.0911 -6.6937 3 105.0704177 89502 303291910 2820 9 a-Alanine, conf. I
68811.4994 0.0911 -6.6937 3 105.0704177 89502 303291911 2820 8 a-Alanine, conf. I
68843.8477 0.0549 -6.9519 3 66.1326165 89502 30327 423 27 424 a-Alanine, conf. I
68843.8495 0.0549 -5.7314 3 66.1326165 89502 30327 423 27 324 a-Alanine, conf. I
68843.9026 0.0549 -5.7314 3 66.1326165 89502 30327 523 27 424 a-Alanine, conf. I
68843.9045 0.0549 -6.9519 3 66.1326165 89502 30327 523 27 324 a-Alanine, conf. I
68865.5797 2.7892 -5.5423 3 313.3823333 89502 303551936 551837 a-Alanine, conf. I
68882.2436 0.2900 -6.7946 3 130.0321219 89502 303361026 361027 a-Alanine, conf. I
68902.0633 0.2884 -5.4666 3 130.0314219 89502 303361026 36 927 a-Alanine, conf. I
68957.2161 0.0299 -6.9676 3 27.6121 99 89502 30316 8 8 16 511 a-Alanine, conf. I
68992.8997 0.0103 -6.1081 3 14.1433 75 89502 30312 5 7 11 5 6 a-Alanine, conf. I
69010.4980 0.0756 -6.9246 3 97.0859177 89502 303291614 291514 a-Alanine, conf. I
69010.9168 0.0756 -5.4938 3 97.0859177 89502 303291613 291514 a-Alanine, conf. I
69012.8036 0.1083 -7.0278 3 91.3529183 89502 30330 921 291218 a-Alanine, conf. I
69013.3825 0.4931 -7.1244 3 121.3031213 89502 30335 926 341223 a-Alanine, conf. I
69016.1966 0.2183 -6.9304 3 142.2759219 89502 303361720 361620 a-Alanine, conf. I
69016.6795 0.0752 -5.4937 3 97.0857177 89502 303291614 291515 a-Alanine, conf. I
69017.0982 0.0752 -6.9245 3 97.0857177 89502 303291613 291515 a-Alanine, conf. I
69020.2417 0.4307 -6.8344 3 172.4196249 89502 303411428 411229 a-Alanine, conf. I
69048.5999 0.0016 -6.8363 3 7.8848 57 89502 303 9 5 4 8 4 4 a-Alanine, conf. I
69057.1383 0.0342 -6.3239 3 37.6406117 89502 30319 812 18 9 9 a-Alanine, conf. I
69057.5290 0.2140 -5.4314 3 142.2759219 89502 303361719 361620 a-Alanine, conf. I
69082.0154 0.2741 -5.4644 3 130.0321219 89502 303361126 361027 a-Alanine, conf. I
69101.2387 1.4761 -5.4701 3 237.7979291 89502 303481632 481533 a-Alanine, conf. I
69101.8351 0.2725 -6.7920 3 130.0314219 89502 303361126 36 927 a-Alanine, conf. I
69109.3229 0.1829 -7.0619 3 186.6654225 89502 3033728 9 3629 8 a-Alanine, conf. I
69109.3229 0.1829 -7.0619 3 186.6654225 89502 303372810 3629 7 a-Alanine, conf. I
69130.4634 0.3813 -7.0011 3 72.1161165 89502 30327 820 26 917 a-Alanine, conf. I
69159.0934 0.7039 -5.9937 3 647.8980477 89502 303792950 792851 a-Alanine, conf. I
69251.0336 1.3747 -7.0663 3 245.2371291 89502 303482029 481929 a-Alanine, conf. I
69264.3230 0.0390 -5.7456 3 7.0510 51 -89502 303 8 6 3 7 5 2 a-Alanine, conf. I
69270.6411 0.0016 -6.8312 3 7.0510 51 89502 303 8 6 2 7 5 2 a-Alanine, conf. I
69271.0167 0.1657 -6.9457 3 192.5935261 89502 303431628 431429 a-Alanine, conf. I
69303.0343 0.0016 -6.8309 3 7.0497 51 89502 303 8 6 3 7 5 3 a-Alanine, conf. I
69303.5704 0.2832 -5.4229 3 188.9511255 89502 303421825 421726 a-Alanine, conf. I
69309.2850 0.0370 -5.7452 3 7.0497 51 -89502 303 8 6 2 7 5 3 a-Alanine, conf. I
69314.0983 0.0065 -6.0757 3 13.6557 75 89502 30312 4 8 11 4 7 a-Alanine, conf. I
69350.2180 0.0051 -6.7725 3 9.2152 63 89502 30310 4 6 9 3 6 a-Alanine, conf. I
69354.9828 0.1559 -6.7484 3 48.0153135 89502 30322 716 21 813 a-Alanine, conf. I
69386.9786 0.1850 -5.4274 3 142.2636219 89502 303361720 361621 a-Alanine, conf. I
69428.3110 0.1808 -6.9256 3 142.2636219 89502 303361719 361621 a-Alanine, conf. I
69438.4884 0.0054 -5.3228 3 16.5676 93 89502 30315 015 14 114 a-Alanine, conf. I
69438.4922 0.0054 -5.9429 3 16.5676 93 89502 30315 115 14 114 a-Alanine, conf. I
69438.5002 0.0054 -5.9429 3 16.5676 93 89502 30315 015 14 014 a-Alanine, conf. I
69438.5040 0.0054 -5.3228 3 16.5676 93 89502 30315 115 14 014 a-Alanine, conf. I
69454.8586 0.0034 -6.0499 3 15.4449 81 89502 30313 410 12 4 9 a-Alanine, conf. I
69456.8909 0.0982 -6.7178 3 113.5342183 89502 303302010 2921 9 a-Alanine, conf. I
69456.8909 0.0982 -6.7178 3 113.5342183 89502 303302011 2921 8 a-Alanine, conf. I
69494.0174 2.7058 -6.9930 3 290.4466321 89502 303531835 531836 a-Alanine, conf. I
69509.2155 2.3119 -5.5375 3 319.2551333 89502 303552233 552134 a-Alanine, conf. I
69522.1624 0.5426 -5.4316 3 190.4181261 89502 303431529 431430 a-Alanine, conf. I
69571.1055 0.0640 -6.9262 3 91.7259171 89502 303281613 281513 a-Alanine, conf. I
69571.2339 0.0640 -5.5067 3 91.7259171 89502 303281612 281513 a-Alanine, conf. I
69573.2239 0.0639 -5.5067 3 91.7258171 89502 303281613 281514 a-Alanine, conf. I
69573.3523 0.0639 -6.9262 3 91.7258171 89502 303281612 281514 a-Alanine, conf. I
69577.2444 0.0928 -6.8409 3 85.4163183 89502 30330 624 30 625 a-Alanine, conf. I
69577.3146 0.0928 -5.5888 3 85.4163183 89502 30330 624 30 525 a-Alanine, conf. I
69578.5806 0.0927 -5.5888 3 85.4163183 89502 30330 724 30 625 a-Alanine, conf. I
69578.6507 0.0927 -6.8408 3 85.4163183 89502 30330 724 30 525 a-Alanine, conf. I
69620.8721 0.4815 -7.2380 3 102.1683189 89502 303311319 311120 a-Alanine, conf. I
69643.2226 1.2259 -6.8780 3 217.7386279 89502 303461531 461532 a-Alanine, conf. I
69680.1790 0.1689 -6.7944 3 106.7262201 89502 30333 825 33 826 a-Alanine, conf. I
69681.6381 0.1688 -5.5072 3 106.7262201 89502 30333 825 33 726 a-Alanine, conf. I
69699.9342 0.1676 -5.5069 3 106.7262201 89502 30333 925 33 826 a-Alanine, conf. I
69701.3933 0.1675 -6.7941 3 106.7262201 89502 30333 925 33 726 a-Alanine, conf. I
69713.5727 4.4116 -5.7451 3 483.4822411 89502 303682642 682543 a-Alanine, conf. I
69748.5771 0.1270 -7.0224 3 197.0521261 89502 303431825 431727 a-Alanine, conf. I
69776.4154 3.8543 -5.6023 3 373.1937363 89502 303602139 602040 a-Alanine, conf. I
69806.6548 0.2013 -7.0884 3 197.9862231 89502 3033829 9 3730 8 a-Alanine, conf. I
69806.6548 0.2013 -7.0884 3 197.9862231 89502 303382910 3730 7 a-Alanine, conf. I
69816.1270 0.3811 -6.7905 3 145.8592231 89502 303381127 381128 a-Alanine, conf. I
69819.9181 0.7251 -7.1527 3 127.7031219 89502 303361027 351124 a-Alanine, conf. I
69826.3421 4.1986 -7.0835 3 348.2277351 89502 303582038 582039 a-Alanine, conf. I
69826.6686 0.0256 -6.3822 3 36.4838117 89502 30319 713 18 810 a-Alanine, conf. I
69828.1136 0.0578 -7.0322 3 59.3685159 89502 30326 323 26 324 a-Alanine, conf. I
69828.1137 0.0578 -5.8276 3 59.3685159 89502 30326 323 26 224 a-Alanine, conf. I
69828.1188 0.0578 -5.8276 3 59.3685159 89502 30326 423 26 324 a-Alanine, conf. I
69828.1189 0.0578 -7.0322 3 59.3685159 89502 30326 423 26 224 a-Alanine, conf. I
69859.5487 0.3769 -5.4448 3 145.8577231 89502 303381127 381028 a-Alanine, conf. I
69870.3156 0.2199 -6.9051 3 200.8409267 89502 303441629 441430 a-Alanine, conf. I
69971.4686 0.8246 -7.2311 3 164.9215249 89502 303411031 401328 a-Alanine, conf. I
69984.5256 0.2001 -6.9896 3 188.9511255 89502 303421824 421726 a-Alanine, conf. I
70062.0389 0.0539 -6.9320 3 86.5604165 89502 303271612 271512 a-Alanine, conf. I
70062.0758 0.0539 -5.5230 3 86.5604165 89502 303271611 271512 a-Alanine, conf. I
70062.7230 0.0539 -5.5230 3 86.5604165 89502 303271612 271513 a-Alanine, conf. I
70062.7599 0.0539 -6.9320 3 86.5604165 89502 303271611 271513 a-Alanine, conf. I
70087.1283 4.9331 -5.6823 3 438.1235393 89502 303652342 652243 a-Alanine, conf. I
70095.6520 5.7278 -5.7786 3 508.1436423 89502 303702545 702446 a-Alanine, conf. I
70111.2497 0.1061 -6.7421 3 122.3357189 89502 303312110 3022 9 a-Alanine, conf. I
70111.2497 0.1061 -6.7421 3 122.3357189 89502 303312111 3022 8 a-Alanine, conf. I
70125.1037 0.0491 -6.3202 3 42.5472123 89502 30320 912 1910 9 a-Alanine, conf. I
70210.5030 0.3454 -5.4406 3 145.8592231 89502 303381227 381128 a-Alanine, conf. I
70211.4629 0.1775 -6.9091 3 135.5465213 89502 303351719 351619 a-Alanine, conf. I
70227.3925 0.4549 -6.8474 3 190.3946261 89502 303431529 431330 a-Alanine, conf. I
70227.8639 0.1759 -5.4262 3 135.5465213 89502 303351718 351619 a-Alanine, conf. I
70253.9247 0.3412 -6.7854 3 145.8577231 89502 303381227 381028 a-Alanine, conf. I
70258.4868 5.7997 -5.8867 3 583.2234453 89502 303752748 752649 a-Alanine, conf. I
70271.8989 0.0366 -6.7314 3 34.1397111 89502 30318 810 18 513 a-Alanine, conf. I
70308.1225 1.1228 -5.4453 3 217.7164279 89502 303461531 461432 a-Alanine, conf. I
70314.4482 3.3612 -5.9603 3 632.5956471 89502 303782949 782850 a-Alanine, conf. I
70326.1157 0.0034 -6.0359 3 15.3866 81 89502 30313 310 12 3 9 a-Alanine, conf. I
70366.3796 0.4582 -5.4413 3 240.3228291 89502 303481831 481732 a-Alanine, conf. I
70371.5296 0.0017 -6.8318 3 7.8236 57 89502 303 9 5 5 8 4 5 a-Alanine, conf. I
70371.8217 0.4622 -6.9870 3 184.4629255 89502 303421627 421428 a-Alanine, conf. I
70374.0049 0.1634 -5.4244 3 135.5411213 89502 303351719 351620 a-Alanine, conf. I
70390.4058 0.1618 -6.9071 3 135.5411213 89502 303351718 351620 a-Alanine, conf. I
70394.7738 1.1534 -5.4550 3 245.2371291 89502 303482028 481929 a-Alanine, conf. I
70419.3500 0.2835 -5.4120 3 181.0490249 89502 303411824 411725 a-Alanine, conf. I
70426.2389 0.6001 -5.4282 3 209.2555273 89502 303451630 451531 a-Alanine, conf. I
70435.0597 0.2526 -7.0555 3 205.3470267 89502 303441826 441728 a-Alanine, conf. I
70466.0014 0.5018 -6.7959 3 162.5461243 89502 303401228 401229 a-Alanine, conf. I
70476.8840 0.6543 -7.0686 3 151.9216231 89502 303381524 381325 a-Alanine, conf. I
70492.5134 0.0451 -6.9422 3 81.5882159 89502 303261611 261511 a-Alanine, conf. I
70492.5234 0.0451 -5.5430 3 81.5882159 89502 303261610 261511 a-Alanine, conf. I
70492.7207 0.0451 -5.5430 3 81.5882159 89502 303261611 261512 a-Alanine, conf. I
70492.7306 0.0451 -6.9422 3 81.5882159 89502 303261610 261512 a-Alanine, conf. I
70505.0486 0.2214 -7.1153 3 209.6442237 89502 3033930 9 3831 8 a-Alanine, conf. I
70505.0486 0.2214 -7.1153 3 209.6442237 89502 303393010 3831 7 a-Alanine, conf. I
70511.3403 0.3886 -6.9432 3 173.3847243 89502 303401823 401723 a-Alanine, conf. I
70526.0893 0.8983 -6.8381 3 198.4884267 89502 303441430 441431 a-Alanine, conf. I
70536.6653 0.0584 -6.3386 3 47.7999129 89502 303211012 2011 9 a-Alanine, conf. I
70556.9470 0.4917 -5.4315 3 162.5431243 89502 303401228 401129 a-Alanine, conf. I
70592.4818 0.0071 -6.8510 3 8.7652 63 89502 30310 3 7 9 2 7 a-Alanine, conf. I
70652.7350 0.3700 -5.4128 3 173.3847243 89502 303401822 401723 a-Alanine, conf. I
70686.4277 0.0703 -5.9764 3 52.8296153 89502 30325 223 25 124 a-Alanine, conf. I
70686.4277 0.0703 -7.1664 3 52.8296153 89502 30325 223 25 224 a-Alanine, conf. I
70686.4280 0.0703 -7.1664 3 52.8296153 89502 30325 323 25 124 a-Alanine, conf. I
70686.4280 0.0703 -5.9764 3 52.8296153 89502 30325 323 25 224 a-Alanine, conf. I
70715.5694 0.1651 -5.4373 3 242.6699291 89502 303481930 481831 a-Alanine, conf. I
70722.7534 0.8998 -7.2213 3 164.8966249 89502 303411131 401228 a-Alanine, conf. I
70723.1500 0.5253 -7.1903 3 112.3240201 89502 303331122 321419 a-Alanine, conf. I
70736.1626 0.2435 -6.9582 3 181.0490249 89502 303411823 411725 a-Alanine, conf. I
70740.2483 0.4243 -7.0621 3 114.9669207 89502 30334 925 331222 a-Alanine, conf. I
70744.4514 0.6668 -6.8113 3 180.0901255 89502 303421329 421330 a-Alanine, conf. I
70772.9566 0.1148 -6.7667 3 131.4749195 89502 303322210 3123 9 a-Alanine, conf. I
70772.9566 0.1148 -6.7667 3 131.4749195 89502 303322211 3123 8 a-Alanine, conf. I
70783.5351 0.0069 -6.8256 3 25.4224 81 89502 3031312 1 1212 0 a-Alanine, conf. I
70783.5351 0.0069 -6.8256 3 25.4224 81 89502 3031312 2 1212 1 a-Alanine, conf. I
70805.6864 0.0644 -6.3629 3 53.3949135 89502 303221112 2112 9 a-Alanine, conf. I
70811.8505 0.7254 -6.9863 3 207.6965267 89502 303441926 441826 a-Alanine, conf. I
70846.9447 0.0710 -6.8698 3 77.9582177 89502 30329 524 29 525 a-Alanine, conf. I
70846.9522 0.0710 -5.6357 3 77.9582177 89502 30329 524 29 425 a-Alanine, conf. I
70847.1266 0.0710 -5.6357 3 77.9582177 89502 30329 624 29 525 a-Alanine, conf. I
70847.1341 0.0710 -6.8698 3 77.9582177 89502 30329 624 29 425 a-Alanine, conf. I
70856.5793 0.2375 -5.4298 3 233.6182285 89502 303471929 471830 a-Alanine, conf. I
70869.8411 0.0374 -6.9571 3 76.8082153 89502 303251610 251510 a-Alanine, conf. I
70869.8436 0.0374 -5.5672 3 76.8082153 89502 3032516 9 251510 a-Alanine, conf. I
70869.8997 0.0374 -5.5672 3 76.8082153 89502 303251610 251511 a-Alanine, conf. I
70869.9022 0.0374 -6.9571 3 76.8082153 89502 3032516 9 251511 a-Alanine, conf. I
70880.9121 0.8486 -5.4311 3 198.4766267 89502 303441430 441331 a-Alanine, conf. I
70884.9060 0.0370 -5.8845 3 7.8236 57 -89502 303 9 5 4 8 4 5 a-Alanine, conf. I
70892.2412 0.0052 -6.5372 3 23.6250 81 89502 3031311 3 1211 2 a-Alanine, conf. I
70892.2415 0.0052 -6.5372 3 23.6250 81 89502 3031311 2 1211 1 a-Alanine, conf. I
70925.1625 0.0675 -6.3613 3 53.3948135 89502 303221111 211210 a-Alanine, conf. I
70927.4197 0.6439 -5.4268 3 180.0840255 89502 303421329 421230 a-Alanine, conf. I
71015.9370 0.0680 -6.3319 3 47.7995129 89502 303211011 201110 a-Alanine, conf. I
71036.9581 0.0042 -6.3745 3 21.9881 81 89502 3031310 4 1210 3 a-Alanine, conf. I
71036.9719 0.0042 -6.3745 3 21.9881 81 89502 3031310 3 1210 2 a-Alanine, conf. I
71040.6758 1.8233 -7.0892 3 276.0477309 89502 303512131 512031 a-Alanine, conf. I
71061.2325 0.0034 -5.4843 3 16.7779 87 89502 30314 212 13 311 a-Alanine, conf. I
71081.9632 2.8349 -5.5631 3 354.2967351 89502 303582335 582236 a-Alanine, conf. I
71086.8839 0.0034 -5.9839 3 16.7779 87 89502 30314 312 13 311 a-Alanine, conf. I
71109.4629 0.2249 -6.7707 3 121.2332213 89502 30335 926 35 927 a-Alanine, conf. I
71111.9391 0.0692 -6.3883 3 59.3302141 89502 303231212 2213 9 a-Alanine, conf. I
71113.1413 0.2246 -5.4680 3 121.2331213 89502 30335 926 35 827 a-Alanine, conf. I
71124.9999 0.0034 -5.9833 3 16.7757 87 89502 30314 212 13 211 a-Alanine, conf. I
71139.0375 0.0700 -6.3880 3 59.3302141 89502 303231211 221310 a-Alanine, conf. I
71150.6513 0.0035 -5.4831 3 16.7757 87 89502 30314 312 13 211 a-Alanine, conf. I
71153.6890 0.2215 -5.4675 3 121.2332213 89502 303351026 35 927 a-Alanine, conf. I
71157.3675 0.2212 -6.7702 3 121.2331213 89502 303351026 35 827 a-Alanine, conf. I
71163.0577 0.2131 -5.4407 3 251.8996297 89502 303491931 491832 a-Alanine, conf. I
71165.6313 0.0742 -6.9335 3 29.7993105 89502 30317 710 17 413 a-Alanine, conf. I
71168.6216 4.6305 -6.0018 3 663.3326483 89502 303802951 802852 a-Alanine, conf. I
71175.5791 4.9395 -5.7936 3 526.3459429 89502 303712744 712645 a-Alanine, conf. I
71187.4648 0.0019 -7.2052 3 3.9824 45 89502 303 7 4 4 6 1 5 a-Alanine, conf. I
71200.0887 0.0306 -6.9773 3 72.2193147 89502 3032416 9 2415 9 a-Alanine, conf. I
71200.0893 0.0306 -5.5962 3 72.2193147 89502 3032416 8 2415 9 a-Alanine, conf. I
71200.1040 0.0306 -5.5962 3 72.2193147 89502 3032416 9 241510 a-Alanine, conf. I
71200.1046 0.0306 -6.9773 3 72.2193147 89502 3032416 8 241510 a-Alanine, conf. I
71201.3136 0.0052 -5.6622 3 15.3866 81 89502 30313 410 12 3 9 a-Alanine, conf. I
71202.1993 0.1484 -6.8932 3 129.0223207 89502 303341718 341618 a-Alanine, conf. I
71204.2687 0.2432 -7.1428 3 221.6394243 89502 3034031 9 3932 8 a-Alanine, conf. I
71204.2687 0.2432 -7.1428 3 221.6394243 89502 303403110 3932 7 a-Alanine, conf. I
71208.4207 0.1478 -5.4247 3 129.0223207 89502 303341717 341618 a-Alanine, conf. I
71213.4470 0.4257 -5.4238 3 162.5461243 89502 303401328 401229 a-Alanine, conf. I
71236.2388 0.0042 -6.2634 3 20.5131 81 89502 30313 9 5 12 9 4 a-Alanine, conf. I
71236.7376 0.0042 -6.2634 3 20.5131 81 89502 30313 9 4 12 9 3 a-Alanine, conf. I
71237.1241 0.6563 -5.4199 3 207.6965267 89502 303441925 441826 a-Alanine, conf. I
71270.2148 0.1427 -5.4240 3 129.0200207 89502 303341718 341619 a-Alanine, conf. I
71276.4362 0.1421 -6.8923 3 129.0200207 89502 303341717 341619 a-Alanine, conf. I
71304.3926 0.4156 -6.7863 3 162.5431243 89502 303401328 401129 a-Alanine, conf. I
71317.8386 1.1876 -6.0538 3 697.2801495 89502 303823052 822953 a-Alanine, conf. I
71324.8334 0.1292 -6.7945 3 98.5891195 89502 30332 725 32 726 a-Alanine, conf. I
71325.0476 0.1292 -5.5281 3 98.5891195 89502 30332 725 32 626 a-Alanine, conf. I
71328.3445 0.1290 -5.5281 3 98.5891195 89502 30332 825 32 726 a-Alanine, conf. I
71328.5587 0.1290 -6.7945 3 98.5891195 89502 30332 825 32 626 a-Alanine, conf. I
71342.5207 0.0371 -7.1795 3 24.5603 93 89502 30315 8 7 15 510 a-Alanine, conf. I
71348.5974 0.1643 -6.9818 3 96.9823189 89502 30331 922 301219 a-Alanine, conf. I
71427.6628 0.6350 -5.4280 3 228.9426285 89502 303471731 471632 a-Alanine, conf. I
71436.0608 0.0871 -6.2513 3 46.5194147 89502 30324 123 24 024 a-Alanine, conf. I
71436.0608 0.0871 -6.2513 3 46.5194147 89502 30324 223 24 124 a-Alanine, conf. I
71440.7230 0.1246 -6.7916 3 140.9516201 89502 303332310 3224 9 a-Alanine, conf. I
71440.7230 0.1246 -6.7916 3 140.9516201 89502 303332311 3224 8 a-Alanine, conf. I
71452.8390 0.0290 -6.2231 3 7.2181 57 -89502 303 9 4 5 8 3 6 a-Alanine, conf. I
71470.9263 0.3087 -5.4192 3 224.7524279 89502 303461928 461829 a-Alanine, conf. I
71487.3224 2.2693 -5.4934 3 290.3801321 89502 303531835 531736 a-Alanine, conf. I
71488.4391 0.0249 -7.0038 3 67.8206141 89502 3032316 8 2315 8 a-Alanine, conf. I
71488.4392 0.0249 -5.6310 3 67.8206141 89502 3032316 7 2315 8 a-Alanine, conf. I
71488.4428 0.0249 -5.6310 3 67.8206141 89502 3032316 8 2315 9 a-Alanine, conf. I
71488.4429 0.0249 -7.0038 3 67.8206141 89502 3032316 7 2315 9 a-Alanine, conf. I
71490.4896 0.0049 -6.0439 3 16.2507 81 89502 30313 5 9 12 5 8 a-Alanine, conf. I
71491.0838 0.0737 -6.4136 3 65.6052147 89502 303241312 2314 9 a-Alanine, conf. I
71495.9901 0.1024 -6.5716 3 43.9472129 89502 30321 715 20 812 a-Alanine, conf. I
71496.7797 0.0739 -6.4135 3 65.6052147 89502 303241311 231410 a-Alanine, conf. I
71519.9159 0.0051 -6.1805 3 19.2028 81 89502 30313 8 6 12 8 5 a-Alanine, conf. I
71531.4156 0.0052 -6.1804 3 19.2029 81 89502 30313 8 5 12 8 4 a-Alanine, conf. I
71544.5636 0.5729 -7.0370 3 95.0791189 89502 30331 923 301020 a-Alanine, conf. I
71586.5395 0.2682 -5.4019 3 173.3488243 89502 303401823 401724 a-Alanine, conf. I
71668.7648 0.0562 -6.4426 3 40.1012123 89502 30320 714 19 811 a-Alanine, conf. I
71708.2683 0.4264 -6.8651 3 209.2128273 89502 303451630 451431 a-Alanine, conf. I
71727.9342 0.2504 -6.9294 3 173.3488243 89502 303401822 401724 a-Alanine, conf. I
71739.4063 0.0203 -7.0378 3 63.6111135 89502 3032216 7 2215 7 a-Alanine, conf. I
71739.4064 0.0203 -5.6728 3 63.6111135 89502 3032216 6 2215 7 a-Alanine, conf. I
71739.4071 0.0203 -5.6728 3 63.6111135 89502 3032216 7 2215 8 a-Alanine, conf. I
71739.4072 0.0203 -7.0378 3 63.6111135 89502 3032216 6 2215 8 a-Alanine, conf. I
71798.7784 0.0564 -6.1784 3 25.8329 99 89502 30316 610 15 7 9 a-Alanine, conf. I
71816.6468 0.8543 -7.1263 3 194.9042261 89502 303431726 431628 a-Alanine, conf. I
71820.1225 0.0745 -6.2948 3 42.5449123 89502 30320 911 191010 a-Alanine, conf. I
71891.0228 0.3436 -7.0119 3 108.7965201 89502 30333 924 321221 a-Alanine, conf. I
71898.9974 0.0063 -6.1158 3 18.0615 81 89502 30313 7 7 12 7 6 a-Alanine, conf. I
71904.1099 0.2667 -7.1708 3 233.9717249 89502 3034132 9 4033 8 a-Alanine, conf. I
71904.1099 0.2667 -7.1708 3 233.9717249 89502 303413210 4033 7 a-Alanine, conf. I
71935.5300 0.0785 -6.4385 3 72.2193153 89502 303251412 2415 9 a-Alanine, conf. I
71936.6533 0.0785 -6.4385 3 72.2193153 89502 303251411 241510 a-Alanine, conf. I
71952.8388 0.0619 -6.9201 3 70.7182171 89502 30328 424 28 425 a-Alanine, conf. I
71952.8394 0.0619 -5.7024 3 70.7182171 89502 30328 424 28 325 a-Alanine, conf. I
71952.8593 0.0619 -5.7024 3 70.7182171 89502 30328 524 28 425 a-Alanine, conf. I
71952.8599 0.0619 -6.9201 3 70.7182171 89502 30328 524 28 325 a-Alanine, conf. I
71956.9754 0.0171 -5.7236 3 59.5900129 89502 3032116 5 2115 6 a-Alanine, conf. I
71956.9754 0.0171 -7.0813 3 59.5900129 89502 3032116 6 2115 6 a-Alanine, conf. I
71956.9755 0.0171 -7.0813 3 59.5900129 89502 3032116 5 2115 7 a-Alanine, conf. I
71956.9755 0.0171 -5.7236 3 59.5900129 89502 3032116 6 2115 7 a-Alanine, conf. I
72046.5401 0.1260 -6.8817 3 122.7000201 89502 303331717 331617 a-Alanine, conf. I
72048.7925 0.1258 -5.4264 3 122.7000201 89502 303331716 331617 a-Alanine, conf. I
72063.6763 0.0073 -6.1138 3 18.0641 81 89502 30313 7 6 12 7 5 a-Alanine, conf. I
72073.6994 0.1238 -5.4261 3 122.6991201 89502 303331717 331618 a-Alanine, conf. I
72075.9518 0.1236 -6.8813 3 122.6991201 89502 303331716 331618 a-Alanine, conf. I
72084.5201 1.0115 -7.1693 3 176.8402249 89502 303411625 411527 a-Alanine, conf. I
72107.7263 0.5127 -5.4130 3 180.0901255 89502 303421429 421330 a-Alanine, conf. I
72113.5097 0.1353 -6.8169 3 150.7659207 89502 303342410 3325 9 a-Alanine, conf. I
72113.5097 0.1353 -6.8169 3 150.7659207 89502 303342411 3325 8 a-Alanine, conf. I
72138.9080 0.0065 -6.0673 3 17.0892 81 89502 30313 6 8 12 6 7 a-Alanine, conf. I
72141.9499 3.3865 -6.0217 3 681.4113489 89502 303813051 812952 a-Alanine, conf. I
72144.7001 0.0155 -5.7867 3 55.7565123 89502 3032016 4 2015 5 a-Alanine, conf. I
72144.7001 0.0155 -7.1374 3 55.7565123 89502 3032016 4 2015 6 a-Alanine, conf. I
72144.7001 0.0155 -7.1374 3 55.7565123 89502 3032016 5 2015 5 a-Alanine, conf. I
72144.7001 0.0155 -5.7867 3 55.7565123 89502 3032016 5 2015 6 a-Alanine, conf. I
72196.4122 0.2540 -6.9814 3 102.7991195 89502 30332 923 311220 a-Alanine, conf. I
72221.0558 0.3009 -6.9101 3 165.8689237 89502 303391822 391722 a-Alanine, conf. I
72266.3768 0.3855 -5.4394 3 261.2990303 89502 303501932 501833 a-Alanine, conf. I
72281.6375 0.2932 -5.3986 3 165.8689237 89502 303391821 391722 a-Alanine, conf. I
72290.2635 2.0017 -6.9182 3 268.2413309 89502 303511734 511735 a-Alanine, conf. I
72290.6946 0.4900 -6.7939 3 180.0840255 89502 303421429 421230 a-Alanine, conf. I
72305.7760 0.0157 -5.8674 3 52.1101117 89502 3031916 3 1915 4 a-Alanine, conf. I
72305.7760 0.0157 -7.2116 3 52.1101117 89502 3031916 3 1915 5 a-Alanine, conf. I
72305.7760 0.0157 -7.2116 3 52.1101117 89502 3031916 4 1915 4 a-Alanine, conf. I
72305.7760 0.0157 -5.8674 3 52.1101117 89502 3031916 4 1915 5 a-Alanine, conf. I
72313.3833 0.0035 -5.8650 3 9.6015 63 89502 30310 5 6 9 4 5 a-Alanine, conf. I
72379.4128 0.2939 -6.7565 3 136.6063225 89502 303371027 371028 a-Alanine, conf. I
72388.1411 0.2931 -5.4380 3 136.6060225 89502 303371027 37 928 a-Alanine, conf. I
72408.4665 0.7804 -7.1600 3 157.5593243 89502 303401030 391327 a-Alanine, conf. I
72419.1590 0.3476 -5.4066 3 216.0794273 89502 303451927 451828 a-Alanine, conf. I
72430.8632 0.0835 -6.4632 3 79.1722159 89502 303261512 2516 9 a-Alanine, conf. I
72431.0729 0.0835 -6.4632 3 79.1722159 89502 303261511 251610 a-Alanine, conf. I
72443.0960 0.0171 -5.9759 3 48.6499111 89502 3031816 2 1815 3 a-Alanine, conf. I
72443.0960 0.0171 -5.9759 3 48.6499111 89502 3031816 3 1815 4 a-Alanine, conf. I
72473.5344 0.2856 -5.4370 3 136.6063225 89502 303371127 371028 a-Alanine, conf. I
72482.2627 0.2848 -6.7553 3 136.6060225 89502 303371127 37 928 a-Alanine, conf. I
72482.2738 1.4984 -5.4627 3 276.0477309 89502 303512130 512031 a-Alanine, conf. I
72514.0685 0.0036 -5.3495 3 17.9243 93 89502 30315 114 14 213 a-Alanine, conf. I
72514.3695 0.0036 -5.9231 3 17.9243 93 89502 30315 214 14 213 a-Alanine, conf. I
72514.9180 0.0036 -5.9231 3 17.9243 93 89502 30315 114 14 113 a-Alanine, conf. I
72515.2190 0.0036 -5.3495 3 17.9243 93 89502 30315 214 14 113 a-Alanine, conf. I
72559.2933 0.0194 -6.1352 3 45.3753105 89502 3031716 1 1715 2 a-Alanine, conf. I
72559.2933 0.0194 -6.1352 3 45.3753105 89502 3031716 2 1715 3 a-Alanine, conf. I
72576.8954 0.6427 -7.0881 3 213.8294273 89502 303451827 451729 a-Alanine, conf. I
72601.7611 3.4224 -5.5949 3 391.1536369 89502 303612437 612338 a-Alanine, conf. I
72603.4575 0.6366 -5.4300 3 249.4778297 89502 303491832 491733 a-Alanine, conf. I
72604.3923 0.2920 -7.1993 3 246.6411255 89502 3034233 9 4134 8 a-Alanine, conf. I
72604.3923 0.2920 -7.1993 3 246.6411255 89502 303423310 4134 7 a-Alanine, conf. I
72656.7754 0.0221 -6.4188 3 42.2858 99 89502 3031616 0 1615 1 a-Alanine, conf. I
72656.7754 0.0221 -6.4188 3 42.2858 99 89502 3031616 1 1615 2 a-Alanine, conf. I
72673.8699 2.3793 -7.1196 3 308.6796327 89502 303542233 542133 a-Alanine, conf. I
72680.6411 5.4775 -5.8468 3 571.0074447 89502 303742846 742747 a-Alanine, conf. I
72729.9074 0.2448 -5.3934 3 165.8519237 89502 303391822 391723 a-Alanine, conf. I
72741.4586 0.0980 -6.8087 3 90.6617189 89502 30331 625 31 626 a-Alanine, conf. I
72741.4853 0.0980 -5.5610 3 90.6617189 89502 30331 625 31 526 a-Alanine, conf. I
72741.9969 0.0980 -5.5610 3 90.6617189 89502 30331 725 31 626 a-Alanine, conf. I
72742.0237 0.0980 -6.8087 3 90.6617189 89502 30331 725 31 526 a-Alanine, conf. I
72778.9915 0.1078 -6.8741 3 116.5772195 89502 303321716 321616 a-Alanine, conf. I
72779.7680 0.1078 -5.4311 3 116.5772195 89502 303321715 321616 a-Alanine, conf. I
72789.3291 0.1070 -5.4310 3 116.5769195 89502 303321716 321617 a-Alanine, conf. I
72790.1057 0.1070 -6.8740 3 116.5769195 89502 303321715 321617 a-Alanine, conf. I
72790.2412 0.6424 -7.1687 3 122.4643207 89502 303341421 341222 a-Alanine, conf. I
72790.4686 0.1472 -6.8425 3 160.9177213 89502 303352510 3426 9 a-Alanine, conf. I
72790.4686 0.1472 -6.8425 3 160.9177213 89502 303352511 3426 8 a-Alanine, conf. I
72790.4891 0.2374 -6.9037 3 165.8519237 89502 303391821 391723 a-Alanine, conf. I
72843.6361 0.1652 -6.9240 3 220.0616279 89502 303461730 461531 a-Alanine, conf. I
72892.1012 7.2392 -7.2198 3 450.7671399 89502 303662343 662344 a-Alanine, conf. I
72920.6148 0.0668 -5.7987 3 63.7002165 89502 30327 324 27 225 a-Alanine, conf. I
72920.6148 0.0668 -7.0015 3 63.7002165 89502 30327 324 27 325 a-Alanine, conf. I
72920.6166 0.0668 -5.7987 3 63.7002165 89502 30327 424 27 325 a-Alanine, conf. I
72920.6167 0.0668 -7.0015 3 63.7002165 89502 30327 424 27 225 a-Alanine, conf. I
72921.3940 0.6021 -5.4077 3 198.4884267 89502 303441530 441431 a-Alanine, conf. I
72949.0563 0.1753 -6.7606 3 112.6339207 89502 30334 826 34 827 a-Alanine, conf. I
72949.6542 0.1752 -5.4798 3 112.6339207 89502 30334 826 34 727 a-Alanine, conf. I
72957.6508 0.1746 -5.4797 3 112.6339207 89502 30334 926 34 827 a-Alanine, conf. I
72958.2487 0.1746 -6.7605 3 112.6339207 89502 30334 926 34 727 a-Alanine, conf. I
72964.9021 0.0889 -6.4878 3 86.4636165 89502 303271612 2617 9 a-Alanine, conf. I
72964.9394 0.0889 -6.4878 3 86.4636165 89502 303271611 261710 a-Alanine, conf. I
73035.6559 3.3196 -5.5423 3 348.1207351 89502 303582038 581939 a-Alanine, conf. I
73173.3937 0.0169 -5.7910 3 18.6354 87 89502 30314 410 13 5 9 a-Alanine, conf. I
73214.8888 7.0313 -5.9340 3 630.1534471 89502 303782850 782751 a-Alanine, conf. I
73225.8235 0.9823 -6.9945 3 236.0963285 89502 303472028 471928 a-Alanine, conf. I
73261.6157 0.1514 -7.0197 3 224.7524279 89502 303461927 461829 a-Alanine, conf. I
73276.2168 0.5531 -6.8076 3 198.4766267 89502 303441530 441331 a-Alanine, conf. I
73310.4552 0.2207 -6.9851 3 216.0794273 89502 303451926 451828 a-Alanine, conf. I
73339.0488 1.0908 -7.2172 3 159.6355237 89502 303391524 391426 a-Alanine, conf. I
73385.3600 0.5315 -6.9372 3 199.3786261 89502 303431925 431825 a-Alanine, conf. I
73418.9746 0.0118 -6.0506 3 17.1214 81 89502 30313 6 7 12 6 6 a-Alanine, conf. I
73421.0084 0.0925 -6.8702 3 110.6520189 89502 303311715 311615 a-Alanine, conf. I
73421.2627 0.0925 -5.4386 3 110.6520189 89502 303311714 311615 a-Alanine, conf. I
73424.7525 0.0922 -5.4385 3 110.6518189 89502 303311715 311616 a-Alanine, conf. I
73425.0068 0.0922 -6.8702 3 110.6518189 89502 303311714 311616 a-Alanine, conf. I
73425.2988 1.7709 -5.4542 3 268.2034309 89502 303511734 511635 a-Alanine, conf. I
73466.2981 0.3799 -6.7510 3 152.8428237 89502 303391128 391129 a-Alanine, conf. I
73466.4892 6.8682 -5.8140 3 552.0440441 89502 303732647 732548 a-Alanine, conf. I
73470.8998 0.1604 -6.8685 3 171.4069219 89502 303362610 3527 9 a-Alanine, conf. I
73470.8998 0.1604 -6.8685 3 171.4069219 89502 303362611 3527 8 a-Alanine, conf. I
73485.9594 0.3778 -5.4162 3 152.8422237 89502 303391128 391029 a-Alanine, conf. I
73491.9196 1.8046 -6.1189 3 748.4434513 89502 303853154 853055 a-Alanine, conf. I
73517.0649 0.7846 -7.0288 3 176.4456249 89502 303411626 411427 a-Alanine, conf. I
73528.6324 0.0947 -6.5123 3 94.0932171 89502 303281712 2718 9 a-Alanine, conf. I
73528.6388 0.0947 -6.5123 3 94.0932171 89502 303281711 271810 a-Alanine, conf. I
73563.2575 0.3560 -5.3934 3 207.6047267 89502 303441926 441827 a-Alanine, conf. I
73574.7755 0.2434 -6.8844 3 158.5661231 89502 303381821 381721 a-Alanine, conf. I
73580.3412 0.5005 -5.3943 3 199.3786261 89502 303431924 431825 a-Alanine, conf. I
73599.6939 0.2403 -5.3893 3 158.5661231 89502 303381820 381721 a-Alanine, conf. I
73657.8553 0.3607 -5.4142 3 152.8428237 89502 303391228 391129 a-Alanine, conf. I
73661.6053 0.5033 -6.9616 3 211.3723273 89502 303451729 451530 a-Alanine, conf. I
73677.5166 0.3586 -6.7486 3 152.8422237 89502 303391228 391029 a-Alanine, conf. I
73678.2025 0.0019 -6.7380 3 9.6015 63 89502 30310 5 5 9 4 5 a-Alanine, conf. I
73678.8341 0.3135 -6.8866 3 228.8675285 89502 303471731 471532 a-Alanine, conf. I
73695.8989 0.6870 -5.4069 3 217.7386279 89502 303461631 461532 a-Alanine, conf. I
73701.9362 5.7491 -6.0608 3 713.2765501 89502 303833053 832954 a-Alanine, conf. I
73705.1299 0.0036 -6.9751 3 8.0913 63 89502 30310 2 8 9 1 8 a-Alanine, conf. I
73708.1989 0.0047 -5.5697 3 17.7617 87 89502 30314 311 13 410 a-Alanine, conf. I
73765.2430 4.5800 -5.6140 3 410.9965381 89502 303632241 632142 a-Alanine, conf. I
73769.8007 0.0811 -5.9476 3 56.9078159 89502 30326 224 26 125 a-Alanine, conf. I
73769.8007 0.0811 -7.1364 3 56.9078159 89502 30326 224 26 225 a-Alanine, conf. I
73769.8008 0.0811 -7.1364 3 56.9078159 89502 30326 324 26 125 a-Alanine, conf. I
73769.8008 0.0811 -5.9476 3 56.9078159 89502 30326 324 26 225 a-Alanine, conf. I
73784.2335 0.8751 -5.4148 3 236.0963285 89502 303472027 471928 a-Alanine, conf. I
73804.9772 0.2186 -5.3869 3 158.5585231 89502 303381821 381722 a-Alanine, conf. I
73810.2415 5.8780 -5.7058 3 478.9808411 89502 303682444 682345 a-Alanine, conf. I
73829.8956 0.2156 -6.8815 3 158.5585231 89502 303381820 381722 a-Alanine, conf. I
73854.3346 3.1738 -6.9886 3 323.9248339 89502 303561937 561938 a-Alanine, conf. I
73865.6465 0.9103 -7.1414 3 157.5110243 89502 303401130 391227 a-Alanine, conf. I
73963.1116 0.0066 -5.2430 3 18.8838 99 89502 30316 016 15 115 a-Alanine, conf. I
73963.1128 0.0066 -5.8645 3 18.8838 99 89502 30316 116 15 115 a-Alanine, conf. I
73963.1154 0.0066 -5.8645 3 18.8838 99 89502 30316 016 15 015 a-Alanine, conf. I
73963.1167 0.0066 -5.2430 3 18.8838 99 89502 30316 116 15 015 a-Alanine, conf. I
73968.1125 0.1895 -5.4336 3 273.3300309 89502 303512032 511933 a-Alanine, conf. I
73976.0417 0.0770 -6.8392 3 82.9488183 89502 30330 525 30 526 a-Alanine, conf. I
73976.0445 0.0770 -5.6083 3 82.9488183 89502 30330 525 30 426 a-Alanine, conf. I
73976.1118 0.0770 -5.6083 3 82.9488183 89502 30330 625 30 526 a-Alanine, conf. I
73976.1146 0.0770 -6.8392 3 82.9488183 89502 30330 625 30 426 a-Alanine, conf. I
73986.9154 0.0793 -6.8700 3 104.9226183 89502 303301714 301614 a-Alanine, conf. I
73986.9942 0.0792 -5.4489 3 104.9226183 89502 303301713 301614 a-Alanine, conf. I
73988.2026 0.0792 -5.4489 3 104.9226183 89502 303301714 301615 a-Alanine, conf. I
73988.2814 0.0792 -6.8700 3 104.9226183 89502 303301713 301615 a-Alanine, conf. I
73988.5311 0.2920 -6.9514 3 207.6047267 89502 303441925 441827 a-Alanine, conf. I
74009.2819 0.0018 -5.6024 3 7.9019 51 89502 303 8 7 2 7 6 1 a-Alanine, conf. I
74009.4009 0.0018 -6.7309 3 7.9019 51 89502 303 8 7 1 7 6 1 a-Alanine, conf. I
74010.2044 0.0018 -6.7309 3 7.9019 51 89502 303 8 7 2 7 6 2 a-Alanine, conf. I
74010.3234 0.0018 -5.6024 3 7.9019 51 89502 303 8 7 1 7 6 2 a-Alanine, conf. I
74013.0827 0.2645 -5.4249 3 263.7095303 89502 303502031 501932 a-Alanine, conf. I
74013.7507 3.3861 -6.0879 3 732.0095507 89502 303843153 843054 a-Alanine, conf. I
74026.1313 1.4738 -6.8605 3 246.8813297 89502 303491633 491634 a-Alanine, conf. I
74031.3710 0.5958 -5.4336 3 270.8606309 89502 303511933 511834 a-Alanine, conf. I
74054.4346 0.0854 -6.2367 3 37.6310117 89502 30319 811 18 910 a-Alanine, conf. I
74086.9491 4.0732 -5.6325 3 429.8223387 89502 303642539 642440 a-Alanine, conf. I
74115.5067 0.1010 -6.5368 3 102.0610177 89502 303291812 2819 9 a-Alanine, conf. I
74115.5077 0.1010 -6.5368 3 102.0610177 89502 303291811 281910 a-Alanine, conf. I
74118.2300 0.0040 -5.9625 3 17.7617 87 89502 30314 411 13 410 a-Alanine, conf. I
74125.0753 4.8785 -7.0890 3 384.7725369 89502 303612140 612141 a-Alanine, conf. I
74130.3372 0.0372 -5.9754 3 22.0875 93 89502 30315 510 14 6 9 a-Alanine, conf. I
74154.2203 0.1749 -6.8949 3 182.2334225 89502 303372710 3628 9 a-Alanine, conf. I
74154.2203 0.1749 -6.8949 3 182.2334225 89502 303372711 3628 8 a-Alanine, conf. I
74155.0181 0.7549 -7.0517 3 121.1331213 89502 303351026 341123 a-Alanine, conf. I
74162.0970 3.0576 -7.1570 3 343.1305345 89502 303572335 572235 a-Alanine, conf. I
74235.1092 6.0257 -5.9048 3 617.4625465 89502 303772948 772849 a-Alanine, conf. I
74266.1716 0.0032 -6.8294 3 8.8170 63 89502 30310 4 7 9 3 7 a-Alanine, conf. I
74290.9306 0.4101 -7.0543 3 233.6182285 89502 303471928 471830 a-Alanine, conf. I
74322.1420 0.0056 -5.9860 3 15.9678 81 89502 30313 4 9 12 4 8 a-Alanine, conf. I
74333.7289 0.4892 -6.7539 3 169.9401249 89502 303411229 411230 a-Alanine, conf. I
74360.7988 0.5858 -6.8265 3 217.7164279 89502 303461631 461432 a-Alanine, conf. I
74362.9009 0.0027 -6.9683 3 8.0950 63 89502 30310 3 8 9 2 8 a-Alanine, conf. I
74376.0501 0.4841 -5.4021 3 169.9387249 89502 303411229 411130 a-Alanine, conf. I
74418.8736 0.3298 -6.8235 3 67.0790159 89502 30326 819 25 916 a-Alanine, conf. I
74442.6622 0.2318 -6.7371 3 127.5483219 89502 30336 927 36 928 a-Alanine, conf. I
74444.2134 0.2316 -5.4417 3 127.5482219 89502 30336 927 36 828 a-Alanine, conf. I
74461.2662 1.9140 -5.4780 3 308.6796327 89502 303542232 542133 a-Alanine, conf. I
74462.4818 0.2301 -5.4415 3 127.5483219 89502 303361027 36 928 a-Alanine, conf. I
74464.0331 0.2300 -6.7368 3 127.5482219 89502 303361027 36 828 a-Alanine, conf. I
74470.0944 0.0305 -6.2416 3 41.1850123 89502 30320 813 19 910 a-Alanine, conf. I
74486.9643 0.7575 -5.4099 3 237.8381291 89502 303481732 481633 a-Alanine, conf. I
74487.0586 0.0676 -6.8734 3 99.3879177 89502 303291713 291613 a-Alanine, conf. I
74487.0816 0.0676 -5.4623 3 99.3879177 89502 303291712 291613 a-Alanine, conf. I
74487.4774 0.0676 -5.4623 3 99.3879177 89502 303291713 291614 a-Alanine, conf. I
74487.5004 0.0676 -6.8734 3 99.3879177 89502 303291712 291614 a-Alanine, conf. I
74515.8744 0.0995 -6.2226 3 50.3440153 89502 30325 124 25 025 a-Alanine, conf. I
74515.8744 0.0995 -6.2226 3 50.3440153 89502 30325 224 25 125 a-Alanine, conf. I
74524.3800 0.1351 -6.7631 3 104.2403201 89502 30333 726 33 727 a-Alanine, conf. I
74524.4642 0.1351 -5.5017 3 104.2403201 89502 30333 726 33 627 a-Alanine, conf. I
74525.8391 0.1350 -5.5017 3 104.2403201 89502 30333 826 33 727 a-Alanine, conf. I
74525.9233 0.1350 -6.7631 3 104.2403201 89502 30333 826 33 627 a-Alanine, conf. I
74533.1877 0.1788 -6.9779 3 104.4906195 89502 303321022 311319 a-Alanine, conf. I
74539.6716 0.2875 -5.4381 3 283.1266315 89502 303522033 521934 a-Alanine, conf. I
74565.8629 0.0017 -5.6980 3 8.5214 57 89502 303 9 6 4 8 5 3 a-Alanine, conf. I
74568.4644 0.3597 -5.4129 3 254.2733297 89502 303492030 491931 a-Alanine, conf. I
74583.3968 0.0041 -5.9559 3 17.7325 87 89502 30314 311 13 310 a-Alanine, conf. I
74596.0715 0.0017 -6.7445 3 8.5214 57 89502 303 9 6 3 8 5 3 a-Alanine, conf. I
74653.1423 1.3566 -5.4254 3 246.8603297 89502 303491633 491534 a-Alanine, conf. I
74691.1704 0.2032 -6.8642 3 151.4709225 89502 303371820 371720 a-Alanine, conf. I
74701.0040 0.2020 -5.3838 3 151.4709225 89502 303371819 371720 a-Alanine, conf. I
74708.1868 0.4468 -5.3984 3 169.9401249 89502 303411329 411230 a-Alanine, conf. I
74720.7077 0.1077 -6.5615 3 110.3668183 89502 303301912 2920 9 a-Alanine, conf. I
74720.7078 0.1077 -6.5615 3 110.3668183 89502 303301911 292010 a-Alanine, conf. I
74724.8214 0.0017 -6.7435 3 8.5161 57 89502 303 9 6 4 8 5 4 a-Alanine, conf. I
74750.5080 0.4417 -6.7493 3 169.9387249 89502 303411329 411130 a-Alanine, conf. I
74755.0299 0.0017 -5.6966 3 8.5161 57 89502 303 9 6 3 8 5 4 a-Alanine, conf. I
74773.4015 0.0823 -6.7229 3 37.6071117 89502 30319 811 19 514 a-Alanine, conf. I
74786.7465 0.3428 -5.3807 3 199.3319261 89502 303431925 431826 a-Alanine, conf. I
74790.8562 0.1928 -5.3827 3 151.4676225 89502 303371820 371721 a-Alanine, conf. I
74793.8298 0.7262 -7.0897 3 150.3473237 89502 303391029 381326 a-Alanine, conf. I
74800.6899 0.1917 -6.8629 3 151.4676225 89502 303371819 371721 a-Alanine, conf. I
74839.9398 0.1908 -6.9217 3 193.3973231 89502 303382810 3729 9 a-Alanine, conf. I
74839.9398 0.1908 -6.9217 3 193.3973231 89502 303382811 3729 8 a-Alanine, conf. I
74914.9828 1.0946 -6.8172 3 226.3686285 89502 303471532 471533 a-Alanine, conf. I
74926.1302 0.6322 -6.7654 3 187.8953261 89502 303431330 431331 a-Alanine, conf. I
74929.4458 0.0573 -6.8806 3 94.0465171 89502 303281712 281612 a-Alanine, conf. I
74929.4521 0.0573 -5.4790 3 94.0465171 89502 303281711 281612 a-Alanine, conf. I
74929.5742 0.0573 -5.4790 3 94.0465171 89502 303281712 281613 a-Alanine, conf. I
74929.5805 0.0573 -6.8806 3 94.0465171 89502 303281711 281613 a-Alanine, conf. I
74981.7277 0.3133 -6.9199 3 199.3319261 89502 303431924 431826 a-Alanine, conf. I
74993.4280 0.0050 -5.5513 3 17.7325 87 89502 30314 411 13 310 a-Alanine, conf. I
75013.6171 0.6202 -5.3956 3 187.8924261 89502 303431330 431231 a-Alanine, conf. I
75058.8794 0.0698 -6.8906 3 75.4545177 89502 30329 425 29 426 a-Alanine, conf. I
75058.8796 0.0698 -5.6753 3 75.4545177 89502 30329 425 29 326 a-Alanine, conf. I
75058.8869 0.0698 -5.6753 3 75.4545177 89502 30329 525 29 426 a-Alanine, conf. I
75058.8872 0.0698 -6.8906 3 75.4545177 89502 30329 525 29 326 a-Alanine, conf. I
75160.1244 0.8255 -6.7861 3 206.7057273 89502 303451431 451432 a-Alanine, conf. I
75250.9138 1.0375 -5.4066 3 226.3574285 89502 303471532 471433 a-Alanine, conf. I
75320.6018 0.0482 -6.8920 3 88.8974165 89502 303271711 271611 a-Alanine, conf. I
75320.6034 0.0482 -5.4992 3 88.8974165 89502 303271710 271611 a-Alanine, conf. I
75320.6388 0.0482 -5.4992 3 88.8974165 89502 303271711 271612 a-Alanine, conf. I
75320.6404 0.0482 -6.8920 3 88.8974165 89502 303271710 271612 a-Alanine, conf. I
75323.7775 0.4078 -6.8994 3 191.2855255 89502 303421924 421824 a-Alanine, conf. I
75334.4768 0.7988 -5.3969 3 206.6999273 89502 303451431 451332 a-Alanine, conf. I
75339.5625 0.0124 -5.9865 3 16.4447 81 89502 30313 5 8 12 5 7 a-Alanine, conf. I
75340.6201 0.1149 -6.5864 3 119.0105189 89502 303312012 3021 9 a-Alanine, conf. I
75340.6202 0.1149 -6.5864 3 119.0105189 89502 303312011 302110 a-Alanine, conf. I
75341.3006 0.0057 -5.8356 3 11.5285 69 89502 30311 5 7 10 4 6 a-Alanine, conf. I
75363.3412 0.8017 -5.4159 3 258.7851303 89502 303501833 501734 a-Alanine, conf. I
75409.7786 0.3946 -5.3759 3 191.2855255 89502 303421923 421824 a-Alanine, conf. I
75497.8433 0.4185 -5.3986 3 245.0288291 89502 303482029 481930 a-Alanine, conf. I
75498.8612 1.3100 -7.0109 3 266.3190303 89502 303502130 502030 a-Alanine, conf. I
75527.6424 0.2082 -6.9491 3 204.8984237 89502 303392910 3830 9 a-Alanine, conf. I
75527.6424 0.2082 -6.9491 3 204.8984237 89502 303392911 3830 8 a-Alanine, conf. I
75555.0945 4.7858 -5.6756 3 470.2990405 89502 303672641 672542 a-Alanine, conf. I
75602.3197 0.0040 -5.3901 3 19.1491 93 89502 30315 213 14 312 a-Alanine, conf. I
75612.3629 0.0040 -5.9031 3 19.1491 93 89502 30315 313 14 312 a-Alanine, conf. I
75627.9711 0.0040 -5.9029 3 19.1482 93 89502 30315 213 14 212 a-Alanine, conf. I
75631.3603 0.5432 -5.3888 3 187.8953261 89502 303431430 431331 a-Alanine, conf. I
75638.0143 0.0041 -5.3896 3 19.1482 93 89502 30315 313 14 212 a-Alanine, conf. I
75640.6749 0.1731 -6.8484 3 144.5795219 89502 303361819 361719 a-Alanine, conf. I
75644.3941 0.1727 -5.3814 3 144.5795219 89502 303361818 361719 a-Alanine, conf. I
75666.0315 0.0402 -6.9080 3 83.9396159 89502 303261710 261610 a-Alanine, conf. I
75666.0319 0.0402 -5.5236 3 83.9396159 89502 3032617 9 261610 a-Alanine, conf. I
75666.0414 0.0402 -5.5236 3 83.9396159 89502 303261710 261611 a-Alanine, conf. I
75666.0418 0.0402 -6.9080 3 83.9396159 89502 3032617 9 261611 a-Alanine, conf. I
75668.1252 2.5034 -6.1890 3 801.3832531 89502 303883256 883157 a-Alanine, conf. I
75682.0073 0.1689 -5.3810 3 144.5781219 89502 303361819 361720 a-Alanine, conf. I
75685.7265 0.1685 -6.8479 3 144.5781219 89502 303361818 361720 a-Alanine, conf. I
75692.7012 0.5585 -6.8498 3 237.7979291 89502 303481732 481533 a-Alanine, conf. I
75718.8472 0.5313 -6.7569 3 187.8924261 89502 303431430 431231 a-Alanine, conf. I
75735.0585 2.6875 -5.4897 3 323.8620339 89502 303561937 561838 a-Alanine, conf. I
75781.9535 0.5087 -5.4379 3 293.0911321 89502 303532034 531935 a-Alanine, conf. I
75795.2427 0.3005 -6.7227 3 143.3295231 89502 303381028 381029 a-Alanine, conf. I
75799.0264 0.3001 -5.4124 3 143.3293231 89502 303381028 38 929 a-Alanine, conf. I
75814.6160 0.8286 -7.1129 3 144.5917225 89502 303371523 371324 a-Alanine, conf. I
75838.6644 0.2963 -5.4120 3 143.3295231 89502 303381128 381029 a-Alanine, conf. I
75842.4481 0.2959 -6.7222 3 143.3293231 89502 303381128 38 929 a-Alanine, conf. I
75843.1850 6.5879 -5.9673 3 665.7065483 89502 303803050 802951 a-Alanine, conf. I
75895.7893 0.1037 -6.7790 3 96.0575195 89502 30332 626 32 627 a-Alanine, conf. I
75895.7994 0.1037 -5.5352 3 96.0575195 89502 30332 626 32 527 a-Alanine, conf. I
75896.0035 0.1037 -5.5352 3 96.0575195 89502 30332 726 32 627 a-Alanine, conf. I
75896.0136 0.1037 -6.7790 3 96.0575195 89502 30332 726 32 527 a-Alanine, conf. I
75923.0516 3.3742 -6.1587 3 784.3854525 89502 303873255 873156 a-Alanine, conf. I
75970.4870 0.0332 -5.5526 3 79.1722153 89502 3032517 8 2516 9 a-Alanine, conf. I
75970.4870 0.0332 -6.9291 3 79.1722153 89502 3032517 9 2516 9 a-Alanine, conf. I
75970.4894 0.0332 -5.5526 3 79.1722153 89502 3032517 9 251610 a-Alanine, conf. I
75970.4895 0.0332 -6.9291 3 79.1722153 89502 3032517 8 251610 a-Alanine, conf. I
75972.4772 0.1228 -6.6114 3 127.9921195 89502 303322111 312210 a-Alanine, conf. I
75972.4772 0.1228 -6.6114 3 127.9921195 89502 303322112 3122 9 a-Alanine, conf. I
76004.7326 0.3171 -5.3693 3 191.2628255 89502 303421924 421825 a-Alanine, conf. I
76012.2776 0.0769 -5.7718 3 68.1827171 89502 30328 325 28 226 a-Alanine, conf. I
76012.2776 0.0769 -6.9728 3 68.1827171 89502 30328 325 28 326 a-Alanine, conf. I
76012.2783 0.0769 -6.9728 3 68.1827171 89502 30328 425 28 226 a-Alanine, conf. I
76012.2783 0.0769 -5.7718 3 68.1827171 89502 30328 425 28 326 a-Alanine, conf. I
76020.7588 0.0089 -6.6739 3 11.1199 69 89502 30311 4 7 10 3 7 a-Alanine, conf. I
76090.7337 0.3043 -6.8912 3 191.2628255 89502 303421923 421825 a-Alanine, conf. I
76140.8967 0.7162 -6.9400 3 227.1961279 89502 303462027 461927 a-Alanine, conf. I
76142.6934 8.3968 -5.9872 3 678.8715489 89502 303812952 812853 a-Alanine, conf. I
76191.6834 0.1820 -6.7298 3 118.6916213 89502 30335 827 35 828 a-Alanine, conf. I
76191.9254 0.1820 -5.4547 3 118.6916213 89502 30335 827 35 728 a-Alanine, conf. I
76195.3619 0.1817 -5.4546 3 118.6916213 89502 30335 927 35 828 a-Alanine, conf. I
76195.6039 0.1817 -6.7297 3 118.6916213 89502 30335 927 35 728 a-Alanine, conf. I
76210.8228 6.9790 -6.1253 3 765.0006519 89502 303863155 863056 a-Alanine, conf. I
76216.9727 0.2271 -6.9769 3 216.7368243 89502 303403010 3931 9 a-Alanine, conf. I
76216.9727 0.2271 -6.9769 3 216.7368243 89502 303403011 3931 8 a-Alanine, conf. I
76217.7016 1.1484 -5.4181 3 266.3190303 89502 303502129 502030 a-Alanine, conf. I
76218.7247 0.0087 -6.7693 3 29.7373 87 89502 3031413 1 1313 0 a-Alanine, conf. I
76218.7247 0.0087 -6.7693 3 29.7373 87 89502 3031413 2 1313 1 a-Alanine, conf. I
76224.7760 0.0025 -6.7381 3 9.4710 63 89502 30310 5 6 9 4 6 a-Alanine, conf. I
76238.1354 0.0273 -5.5874 3 74.5943147 89502 3032417 7 2416 8 a-Alanine, conf. I
76238.1354 0.0273 -6.9563 3 74.5943147 89502 3032417 8 2416 8 a-Alanine, conf. I
76238.1360 0.0273 -6.9563 3 74.5943147 89502 3032417 7 2416 9 a-Alanine, conf. I
76238.1360 0.0273 -5.5874 3 74.5943147 89502 3032417 8 2416 9 a-Alanine, conf. I
76323.8863 0.0067 -6.4794 3 27.7834 87 89502 3031412 2 1312 1 a-Alanine, conf. I
76323.8863 0.0067 -6.4794 3 27.7834 87 89502 3031412 3 1312 2 a-Alanine, conf. I
76344.7465 2.4064 -5.5004 3 343.1305345 89502 303572334 572235 a-Alanine, conf. I
76385.6170 0.0536 -6.2086 3 46.2568129 89502 30321 913 201010 a-Alanine, conf. I
76402.9696 0.8067 -5.4240 3 280.5780315 89502 303521934 521835 a-Alanine, conf. I
76403.2137 0.6667 -5.3848 3 227.1961279 89502 303462026 461927 a-Alanine, conf. I
76419.5997 0.1787 -6.9111 3 249.3505297 89502 303491832 491633 a-Alanine, conf. I
76442.1537 0.6474 -5.3848 3 206.7057273 89502 303451531 451432 a-Alanine, conf. I
76460.4731 0.0054 -6.3150 3 25.9898 87 89502 3031411 4 1311 3 a-Alanine, conf. I
76460.4749 0.0054 -6.3150 3 25.9898 87 89502 3031411 3 1311 2 a-Alanine, conf. I
76465.0331 0.1491 -6.8364 3 137.8890213 89502 303351818 351718 a-Alanine, conf. I
76466.3792 0.1489 -5.3817 3 137.8890213 89502 303351817 351718 a-Alanine, conf. I
76472.6737 0.0227 -5.6291 3 70.2052141 89502 3032317 6 2316 7 a-Alanine, conf. I
76472.6737 0.0227 -6.9909 3 70.2052141 89502 3032317 7 2316 7 a-Alanine, conf. I
76472.6738 0.0227 -6.9909 3 70.2052141 89502 3032317 6 2316 8 a-Alanine, conf. I
76472.6738 0.0227 -5.6291 3 70.2052141 89502 3032317 7 2316 8 a-Alanine, conf. I
76481.4340 0.1475 -5.3816 3 137.8885213 89502 303351818 351719 a-Alanine, conf. I
76482.7801 0.1473 -6.8362 3 137.8885213 89502 303351817 351719 a-Alanine, conf. I
76531.0065 0.9168 -6.9995 3 202.7942267 89502 303441728 441529 a-Alanine, conf. I
76568.5123 0.0054 -5.9498 3 18.6354 87 89502 30314 510 13 5 9 a-Alanine, conf. I
76614.1237 0.1315 -6.6368 3 137.3113201 89502 303332211 322310 a-Alanine, conf. I
76614.1237 0.1315 -6.6368 3 137.3113201 89502 303332212 3223 9 a-Alanine, conf. I
76616.5061 0.6209 -6.7706 3 206.6999273 89502 303451531 451332 a-Alanine, conf. I
76635.8532 2.3585 -6.9121 3 300.4630327 89502 303541836 541837 a-Alanine, conf. I
76641.5836 0.2333 -6.9882 3 245.0288291 89502 303482028 481930 a-Alanine, conf. I
76642.8915 0.0051 -6.2024 3 24.3576 87 89502 3031410 5 1310 4 a-Alanine, conf. I
76642.9684 0.0051 -6.2024 3 24.3576 87 89502 3031410 4 1310 3 a-Alanine, conf. I
76660.1748 0.4388 -5.3834 3 235.9817285 89502 303472028 471929 a-Alanine, conf. I
76677.4117 0.0197 -5.6800 3 66.0040135 89502 3032217 5 2216 6 a-Alanine, conf. I
76677.4117 0.0197 -7.0350 3 66.0040135 89502 3032217 6 2216 6 a-Alanine, conf. I
76677.4118 0.0197 -7.0350 3 66.0040135 89502 3032217 5 2216 7 a-Alanine, conf. I
76677.4118 0.0197 -5.6800 3 66.0040135 89502 3032217 6 2216 7 a-Alanine, conf. I
76753.3583 1.2287 -7.1198 3 222.4914279 89502 303461828 461730 a-Alanine, conf. I
76807.7033 8.1334 -5.8556 3 597.7393459 89502 303762749 762650 a-Alanine, conf. I
76816.0701 0.2169 -7.0245 3 254.2733297 89502 303492029 491931 a-Alanine, conf. I
76847.3039 0.3276 -6.8695 3 183.4085249 89502 303411923 411823 a-Alanine, conf. I
76853.5996 0.0930 -5.9208 3 61.1367165 89502 30327 225 27 126 a-Alanine, conf. I
76853.5996 0.0930 -7.1084 3 61.1367165 89502 30327 225 27 226 a-Alanine, conf. I
76853.5996 0.0930 -7.1084 3 61.1367165 89502 30327 325 27 126 a-Alanine, conf. I
76853.5996 0.0930 -5.9208 3 61.1367165 89502 30327 325 27 226 a-Alanine, conf. I
76855.3353 0.0185 -5.7430 3 61.9902129 89502 3032117 4 2116 5 a-Alanine, conf. I
76855.3353 0.0185 -7.0917 3 61.9902129 89502 3032117 4 2116 6 a-Alanine, conf. I
76855.3353 0.0185 -7.0917 3 61.9902129 89502 3032117 5 2116 5 a-Alanine, conf. I
76855.3353 0.0185 -5.7430 3 61.9902129 89502 3032117 5 2116 6 a-Alanine, conf. I
76883.8099 0.3222 -5.3628 3 183.4085249 89502 303411922 411823 a-Alanine, conf. I
76895.0724 0.0059 -6.1181 3 22.8893 87 89502 30314 9 6 13 9 5 a-Alanine, conf. I
76895.6276 0.0284 -6.6200 3 42.3756123 89502 30320 911 20 614 a-Alanine, conf. I
76897.1741 0.0059 -6.1181 3 22.8893 87 89502 30314 9 5 13 9 4 a-Alanine, conf. I
76907.6248 0.2477 -7.0052 3 228.9123249 89502 303413110 4032 9 a-Alanine, conf. I
76907.6248 0.2477 -7.0052 3 228.9123249 89502 303413111 4032 8 a-Alanine, conf. I
76957.8421 0.5319 -6.9455 3 240.1029291 89502 303481831 481632 a-Alanine, conf. I
76962.3792 0.9510 -7.0881 3 242.6699291 89502 303481929 481831 a-Alanine, conf. I
76991.4985 0.3842 -6.7165 3 159.9749243 89502 303401129 401130 a-Alanine, conf. I
77000.2530 0.3832 -5.3911 3 159.9746243 89502 303401129 401030 a-Alanine, conf. I
77009.1553 0.0191 -5.8237 3 58.1630123 89502 3032017 3 2016 4 a-Alanine, conf. I
77009.1553 0.0191 -7.1663 3 58.1630123 89502 3032017 3 2016 5 a-Alanine, conf. I
77009.1553 0.0191 -7.1663 3 58.1630123 89502 3032017 4 2016 4 a-Alanine, conf. I
77009.1553 0.0191 -5.8237 3 58.1630123 89502 3032017 4 2016 5 a-Alanine, conf. I
77019.9952 0.6585 -7.0219 3 143.2886231 89502 303381028 371325 a-Alanine, conf. I
77022.5835 5.5584 -5.7238 3 512.5798423 89502 303702743 702644 a-Alanine, conf. I
77038.4041 0.0044 -5.2678 3 20.3431 99 89502 30316 115 15 214 a-Alanine, conf. I
77038.5094 0.0044 -5.8463 3 20.3431 99 89502 30316 215 15 214 a-Alanine, conf. I
77038.7052 0.0044 -5.8463 3 20.3431 99 89502 30316 115 15 114 a-Alanine, conf. I
77038.8104 0.0044 -5.2678 3 20.3431 99 89502 30316 215 15 114 a-Alanine, conf. I
77043.6590 0.0694 -6.2173 3 51.6817135 89502 303221013 211110 a-Alanine, conf. I
77060.7587 0.0458 -6.7389 3 38.6145117 89502 30319 910 19 613 a-Alanine, conf. I
77082.4440 0.3741 -5.3902 3 159.9749243 89502 303401229 401130 a-Alanine, conf. I
77091.1985 0.3731 -6.7154 3 159.9746243 89502 303401229 401030 a-Alanine, conf. I
77099.9220 0.0838 -6.8108 3 88.0899189 89502 30331 526 31 527 a-Alanine, conf. I
77099.9230 0.0838 -5.5829 3 88.0899189 89502 30331 526 31 427 a-Alanine, conf. I
77099.9487 0.0838 -5.5829 3 88.0899189 89502 30331 626 31 527 a-Alanine, conf. I
77099.9497 0.0838 -6.8108 3 88.0899189 89502 30331 626 31 427 a-Alanine, conf. I
77141.3463 0.0210 -5.9323 3 54.5219117 89502 3031917 2 1916 3 a-Alanine, conf. I
77141.3463 0.0210 -5.9323 3 54.5219117 89502 3031917 3 1916 4 a-Alanine, conf. I
77156.7349 0.2894 -5.4274 3 295.6189321 89502 303532133 532034 a-Alanine, conf. I
77164.1165 0.2862 -5.3597 3 183.3979249 89502 303411923 411824 a-Alanine, conf. I
77166.1542 0.7544 -5.3857 3 226.3686285 89502 303471632 471533 a-Alanine, conf. I
77168.6077 3.9058 -5.5500 3 384.6710369 89502 303612140 612041 a-Alanine, conf. I
77189.8288 0.1290 -6.8279 3 131.3976207 89502 303341817 341717 a-Alanine, conf. I
77190.2941 0.1290 -5.3847 3 131.3976207 89502 303341816 341717 a-Alanine, conf. I
77196.0502 0.1284 -5.3847 3 131.3974207 89502 303341817 341718 a-Alanine, conf. I
77196.5155 0.1284 -6.8278 3 131.3974207 89502 303341816 341718 a-Alanine, conf. I
77200.6224 0.2809 -6.8657 3 183.3979249 89502 303411922 411824 a-Alanine, conf. I
77213.2856 0.2249 -5.4372 3 305.8074327 89502 303542134 542035 a-Alanine, conf. I
77218.5848 0.3401 -6.9525 3 235.9817285 89502 303472027 471929 a-Alanine, conf. I
77241.0899 0.5527 -6.8924 3 89.3197183 89502 30330 922 291019 a-Alanine, conf. I
77249.4875 0.0073 -6.0516 3 21.5885 87 89502 30314 8 7 13 8 6 a-Alanine, conf. I
77254.1777 0.0237 -6.0917 3 51.0663111 89502 3031817 1 1816 2 a-Alanine, conf. I
77254.1777 0.0237 -6.0917 3 51.0663111 89502 3031817 2 1816 3 a-Alanine, conf. I
77263.8542 0.1409 -6.6624 3 146.9681207 89502 303342311 332410 a-Alanine, conf. I
77263.8542 0.1409 -6.6624 3 146.9681207 89502 303342312 3324 9 a-Alanine, conf. I
77287.1020 0.0076 -6.0512 3 21.5890 87 89502 30314 8 6 13 8 5 a-Alanine, conf. I
77294.5681 0.0788 -6.2392 3 57.4517141 89502 303231113 221210 a-Alanine, conf. I
77349.7378 0.0267 -6.3755 3 47.7956105 89502 3031717 0 1716 1 a-Alanine, conf. I
77349.7378 0.0267 -6.3755 3 47.7956105 89502 3031717 1 1716 2 a-Alanine, conf. I
77480.2482 0.4323 -6.8768 3 258.7145303 89502 303501833 501634 a-Alanine, conf. I
77501.9811 6.9238 -5.7361 3 521.6393429 89502 303712546 712447 a-Alanine, conf. I
77502.0851 0.6980 -6.7900 3 226.3574285 89502 303471632 471433 a-Alanine, conf. I
77504.8399 0.0850 -6.2645 3 63.5636147 89502 303241213 231310 a-Alanine, conf. I
77507.2989 7.1717 -6.0343 3 715.7349501 89502 303833152 833053 a-Alanine, conf. I
77520.2618 0.9387 -7.0554 3 150.2570237 89502 303391129 381226 a-Alanine, conf. I
77579.7453 0.0875 -6.2635 3 63.5636147 89502 303241212 231311 a-Alanine, conf. I
77589.5953 0.0054 -5.8728 3 9.4710 63 89502 30310 5 5 9 4 6 a-Alanine, conf. I
77596.8066 0.1130 -6.1957 3 54.3194159 89502 30326 125 26 026 a-Alanine, conf. I
77596.8066 0.1130 -6.1957 3 54.3194159 89502 30326 225 26 126 a-Alanine, conf. I
77599.3332 0.2700 -7.0340 3 241.4249255 89502 303423210 4133 9 a-Alanine, conf. I
77599.3332 0.2700 -7.0340 3 241.4249255 89502 303423211 4133 8 a-Alanine, conf. I
77601.3018 0.0870 -6.2353 3 57.4514141 89502 303231112 221211 a-Alanine, conf. I
77635.4446 1.7219 -7.0349 3 298.3628321 89502 303532232 532132 a-Alanine, conf. I
77644.8493 0.4115 -5.4141 3 285.6129315 89502 303522132 522033 a-Alanine, conf. I
77652.8032 1.4277 -7.1556 3 203.1716267 89502 303441727 441629 a-Alanine, conf. I
77665.7285 0.0086 -5.9982 3 20.4598 87 89502 30314 7 8 13 7 7 a-Alanine, conf. I
77686.6581 0.7611 -5.4335 3 303.2161327 89502 303542035 541936 a-Alanine, conf. I
77703.3168 1.0514 -7.1417 3 190.4181267 89502 303441133 431430 a-Alanine, conf. I
77706.1173 2.1005 -5.4469 3 300.4273327 89502 303541836 541737 a-Alanine, conf. I
77708.6885 0.0079 -5.9609 3 19.4954 87 89502 30314 6 9 13 6 8 a-Alanine, conf. I
77709.5362 0.1413 -6.7343 3 110.0418207 89502 30334 727 34 728 a-Alanine, conf. I
77709.5689 0.1413 -5.4774 3 110.0418207 89502 30334 727 34 628 a-Alanine, conf. I
77710.1341 0.1413 -5.4774 3 110.0418207 89502 30334 827 34 728 a-Alanine, conf. I
77710.1669 0.1413 -6.7342 3 110.0418207 89502 30334 827 34 628 a-Alanine, conf. I
77719.6941 5.3815 -5.6330 3 450.6061399 89502 303662343 662244 a-Alanine, conf. I
77737.9544 0.2395 -6.7066 3 134.0129225 89502 30337 928 37 929 a-Alanine, conf. I
77738.5998 0.2394 -5.4177 3 134.0129225 89502 30337 928 37 829 a-Alanine, conf. I
77746.6827 0.2387 -5.4176 3 134.0129225 89502 303371028 37 929 a-Alanine, conf. I
77747.3281 0.2386 -6.7065 3 134.0129225 89502 303371028 37 829 a-Alanine, conf. I
77783.7318 0.0903 -6.2902 3 70.0161153 89502 303251313 241410 a-Alanine, conf. I
77797.4161 0.0083 -5.7890 3 13.6557 75 89502 30312 5 8 11 4 7 a-Alanine, conf. I
77800.5415 0.0910 -6.2900 3 70.0161153 89502 303251312 241411 a-Alanine, conf. I
77831.7311 0.1118 -6.8226 3 125.1033201 89502 303331816 331716 a-Alanine, conf. I
77831.8844 0.1118 -5.3902 3 125.1033201 89502 303331815 331716 a-Alanine, conf. I
77833.5643 3.2553 -6.2642 3 856.0948549 89502 303913358 913259 a-Alanine, conf. I
77833.9835 0.1116 -5.3902 3 125.1033201 89502 303331816 331717 a-Alanine, conf. I
77834.1367 0.1116 -6.8226 3 125.1033201 89502 303331815 331717 a-Alanine, conf. I
77842.2735 0.8564 -5.3910 3 246.8813297 89502 303491733 491634 a-Alanine, conf. I
77844.5138 0.0854 -6.1275 3 33.0546111 89502 30318 711 17 810 a-Alanine, conf. I
77862.8014 3.3702 -6.2341 3 838.5342543 89502 303903357 903258 a-Alanine, conf. I
77910.7268 0.3843 -5.4428 3 316.1702333 89502 303552135 552036 a-Alanine, conf. I
77920.3006 0.1513 -6.6884 3 156.9626213 89502 303352411 342510 a-Alanine, conf. I
77920.3006 0.1513 -6.6884 3 156.9626213 89502 303352412 3425 9 a-Alanine, conf. I
77931.5861 0.4300 -5.3683 3 227.1364279 89502 303462027 461928 a-Alanine, conf. I
78008.4770 0.4872 -6.7181 3 177.4819255 89502 303421230 421231 a-Alanine, conf. I
78027.8219 0.4846 -5.3770 3 177.4813255 89502 303421230 421131 a-Alanine, conf. I
78081.9826 0.0113 -5.9934 3 20.4679 87 89502 30314 7 7 13 7 6 a-Alanine, conf. I
78096.1574 0.2727 -6.8453 3 175.7414243 89502 303401922 401822 a-Alanine, conf. I
78111.0676 0.2705 -5.3536 3 175.7414243 89502 303401921 401822 a-Alanine, conf. I
78142.7006 0.0956 -6.3158 3 76.8082159 89502 303261413 251510 a-Alanine, conf. I
78146.2191 0.0957 -6.3158 3 76.8082159 89502 303261412 251511 a-Alanine, conf. I
78147.1210 2.9810 -5.5293 3 379.3974363 89502 303602436 602337 a-Alanine, conf. I
78156.9018 3.6885 -6.9928 3 359.2174357 89502 303592039 592040 a-Alanine, conf. I
78162.5877 0.0788 -6.8632 3 80.3415183 89502 30330 426 30 427 a-Alanine, conf. I
78162.5878 0.0788 -5.6501 3 80.3415183 89502 30330 426 30 327 a-Alanine, conf. I
78162.5905 0.0788 -5.6501 3 80.3415183 89502 30330 526 30 427 a-Alanine, conf. I
78162.5906 0.0788 -6.8632 3 80.3415183 89502 30330 526 30 327 a-Alanine, conf. I
78170.5931 0.0929 -6.2023 3 51.6803135 89502 303221012 211111 a-Alanine, conf. I
78191.4453 0.4643 -5.3752 3 177.4819255 89502 303421330 421231 a-Alanine, conf. I
78193.9031 0.3830 -6.9185 3 227.1364279 89502 303462026 461928 a-Alanine, conf. I
78210.7902 0.4618 -6.7160 3 177.4813255 89502 303421330 421131 a-Alanine, conf. I
78230.8078 0.6365 -7.0603 3 263.7095303 89502 303502030 501932 a-Alanine, conf. I
78237.5521 0.2547 -5.3522 3 175.7367243 89502 303401922 401823 a-Alanine, conf. I
78252.4623 0.2526 -6.8437 3 175.7367243 89502 303401921 401823 a-Alanine, conf. I
78291.8664 0.2941 -7.0633 3 254.2745261 89502 303433310 4234 9 a-Alanine, conf. I
78291.8664 0.2941 -7.0633 3 254.2745261 89502 303433311 4234 8 a-Alanine, conf. I
78326.6712 0.5448 -6.8975 3 218.5248273 89502 303452026 451926 a-Alanine, conf. I
78341.3650 0.1483 -6.8920 3 110.4988201 89502 303331023 321320 a-Alanine, conf. I
78357.1580 5.6224 -7.1027 3 423.1272387 89502 303642242 642243 a-Alanine, conf. I
78363.1168 1.7523 -6.8519 3 277.8442315 89502 303521735 521736 a-Alanine, conf. I
78391.2720 0.0031 -6.6377 3 11.5285 69 89502 30311 5 6 10 4 6 a-Alanine, conf. I
78402.4464 0.0968 -6.8207 3 119.0049195 89502 303321815 321715 a-Alanine, conf. I
78402.4943 0.0968 -5.3983 3 119.0049195 89502 303321814 321715 a-Alanine, conf. I
78403.2229 0.0967 -5.3983 3 119.0049195 89502 303321815 321716 a-Alanine, conf. I
78403.2708 0.0967 -6.8207 3 119.0049195 89502 303321814 321716 a-Alanine, conf. I
78412.4034 1.1394 -7.1334 3 190.3946267 89502 303441233 431330 a-Alanine, conf. I
78445.4165 0.5230 -5.3625 3 218.5248273 89502 303452025 451926 a-Alanine, conf. I
78469.2845 0.7412 -6.8143 3 246.8603297 89502 303491733 491534 a-Alanine, conf. I
78484.7336 0.0021 -6.9629 3 5.2056 51 89502 303 8 4 5 7 1 6 a-Alanine, conf. I
78487.2866 0.0081 -5.1688 3 21.3509105 89502 30317 017 16 116 a-Alanine, conf. I
78487.2870 0.0081 -5.7915 3 21.3509105 89502 30317 117 16 116 a-Alanine, conf. I
78487.2878 0.0081 -5.7915 3 21.3509105 89502 30317 017 16 016 a-Alanine, conf. I
78487.2882 0.0081 -5.1688 3 21.3509105 89502 30317 117 16 016 a-Alanine, conf. I
78504.3295 6.3903 -5.7771 3 556.6607441 89502 303732845 732746 a-Alanine, conf. I
78524.1274 0.9420 -5.3999 3 268.2413309 89502 303511834 511735 a-Alanine, conf. I
78525.4842 0.0048 -5.4572 3 20.2340 93 89502 30315 312 14 411 a-Alanine, conf. I
78544.2719 1.4850 -5.4291 3 298.3628321 89502 303532231 532132 a-Alanine, conf. I
78545.6530 0.4954 -5.3983 3 275.7973309 89502 303512131 512032 a-Alanine, conf. I
78568.2110 0.1011 -6.3412 3 83.9396165 89502 303271513 261610 a-Alanine, conf. I
78568.9050 0.1012 -6.3412 3 83.9396165 89502 303271512 261611 a-Alanine, conf. I
78582.3518 0.1627 -6.7148 3 167.2945219 89502 303362511 352610 a-Alanine, conf. I
78582.3518 0.1627 -6.7148 3 167.2945219 89502 303362512 3526 9 a-Alanine, conf. I
78678.2728 8.3118 -6.1952 3 818.5007537 89502 303893257 893158 a-Alanine, conf. I
78683.7625 0.3602 -6.9772 3 118.5085207 89502 303341123 331420 a-Alanine, conf. I
78708.1441 0.0047 -5.8827 3 20.2340 93 89502 30315 412 14 411 a-Alanine, conf. I
78708.2444 0.0023 -5.4774 3 8.9160 51 89502 303 8 8 1 7 7 0 a-Alanine, conf. I
78708.2453 0.0023 -6.6338 3 8.9160 51 89502 303 8 8 0 7 7 0 a-Alanine, conf. I
78708.2525 0.0023 -6.6338 3 8.9160 51 89502 303 8 8 1 7 7 1 a-Alanine, conf. I
78708.2534 0.0023 -5.4774 3 8.9160 51 89502 303 8 8 0 7 7 1 a-Alanine, conf. I
78729.8676 1.0380 -7.0691 3 168.5481243 89502 303401625 401426 a-Alanine, conf. I
78779.9526 0.9521 -6.9508 3 256.8356297 89502 303492129 492029 a-Alanine, conf. I
78811.3142 0.6166 -6.7274 3 195.8477267 89502 303441331 441332 a-Alanine, conf. I
78825.0592 0.0047 -5.9113 3 18.4469 87 89502 30314 410 13 4 9 a-Alanine, conf. I
78852.3533 0.6104 -5.3699 3 195.8464267 89502 303441331 441232 a-Alanine, conf. I
78882.5411 0.0088 -6.7592 3 10.5498 69 89502 30311 3 8 10 2 8 a-Alanine, conf. I
78892.5504 0.0080 -6.7009 3 6.5836 57 89502 303 9 3 6 8 2 7 a-Alanine, conf. I
78907.2259 0.2590 -6.6344 3 62.2193153 89502 30325 818 24 915 a-Alanine, conf. I
78910.8080 0.0834 -6.8220 3 113.1010189 89502 303311814 311714 a-Alanine, conf. I
78910.8222 0.0834 -5.4091 3 113.1010189 89502 303311813 311714 a-Alanine, conf. I
78911.0623 0.0834 -5.4091 3 113.1010189 89502 303311814 311715 a-Alanine, conf. I
78911.0765 0.0834 -6.8220 3 113.1010189 89502 303311813 311715 a-Alanine, conf. I
78919.8593 0.0267 -6.2040 3 44.9406129 89502 30321 814 20 911 a-Alanine, conf. I
78927.4249 0.5748 -6.9596 3 136.3879225 89502 303371027 361324 a-Alanine, conf. I
78935.5154 0.0048 -5.8798 3 20.2203 93 89502 30315 312 14 311 a-Alanine, conf. I
78955.0247 1.6205 -5.4143 3 277.8244315 89502 303521735 521636 a-Alanine, conf. I
78985.0212 0.3201 -7.0932 3 267.4611267 89502 303443410 4335 9 a-Alanine, conf. I
78985.0212 0.3201 -7.0932 3 267.4611267 89502 303443411 4335 8 a-Alanine, conf. I
79022.9327 9.8970 -6.0462 3 729.3736507 89502 303843054 842955 a-Alanine, conf. I
79042.0239 0.1101 -6.7516 3 101.6038201 89502 30333 627 33 628 a-Alanine, conf. I
79042.0277 0.1101 -5.5113 3 101.6038201 89502 30333 627 33 528 a-Alanine, conf. I
79042.1081 0.1101 -5.5113 3 101.6038201 89502 30333 727 33 628 a-Alanine, conf. I
79042.1119 0.1101 -6.7516 3 101.6038201 89502 30333 727 33 528 a-Alanine, conf. I
79045.0516 0.1070 -6.3664 3 91.4098171 89502 303281613 271710 a-Alanine, conf. I
79045.1816 0.1071 -6.3664 3 91.4098171 89502 303281612 271711 a-Alanine, conf. I
79103.4227 0.0881 -5.7467 3 72.8159177 89502 30329 326 29 227 a-Alanine, conf. I
79103.4227 0.0881 -6.9461 3 72.8159177 89502 30329 326 29 327 a-Alanine, conf. I
79103.4229 0.0881 -6.9461 3 72.8159177 89502 30329 426 29 227 a-Alanine, conf. I
79103.4229 0.0881 -5.7467 3 72.8159177 89502 30329 426 29 327 a-Alanine, conf. I
79118.1753 0.0052 -5.4496 3 20.2203 93 89502 30315 412 14 311 a-Alanine, conf. I
79125.1838 0.8756 -5.3838 3 256.8356297 89502 303492128 492029 a-Alanine, conf. I
79154.7699 0.2324 -6.8257 3 168.2800237 89502 303391921 391821 a-Alanine, conf. I
79155.7820 0.3087 -6.6924 3 150.2018237 89502 303391029 391030 a-Alanine, conf. I
79157.3989 0.3086 -5.3894 3 150.2018237 89502 303391029 39 930 a-Alanine, conf. I
79160.6257 0.2316 -5.3475 3 168.2800237 89502 303391920 391821 a-Alanine, conf. I
79166.1369 0.5671 -5.3665 3 195.8477267 89502 303441431 441332 a-Alanine, conf. I
79175.4433 0.3066 -5.3892 3 150.2018237 89502 303391129 391030 a-Alanine, conf. I
79177.0602 0.3065 -6.6921 3 150.2018237 89502 303391129 39 930 a-Alanine, conf. I
79207.1760 0.5610 -6.7233 3 195.8464267 89502 303441431 441232 a-Alanine, conf. I
79215.3516 0.2249 -5.3469 3 168.2779237 89502 303391921 391822 a-Alanine, conf. I
79217.9674 0.4031 -5.3543 3 218.4950273 89502 303452026 451927 a-Alanine, conf. I
79221.2073 0.2241 -6.8250 3 168.2779237 89502 303391920 391822 a-Alanine, conf. I
79228.5661 7.7891 -6.1057 3 767.5428519 89502 303863254 863155 a-Alanine, conf. I
79249.0950 0.1752 -6.7416 3 177.9639225 89502 303372611 362710 a-Alanine, conf. I
79249.0950 0.1752 -6.7416 3 177.9639225 89502 303372612 3627 9 a-Alanine, conf. I
79261.5499 1.3177 -6.8053 3 256.0706303 89502 303501634 501635 a-Alanine, conf. I
79279.4245 0.9973 -5.4117 3 290.4466321 89502 303531935 531836 a-Alanine, conf. I
79290.0706 0.6589 -5.4438 3 326.6991339 89502 303562136 562037 a-Alanine, conf. I
79336.7127 0.3820 -6.8871 3 218.4950273 89502 303452025 451927 a-Alanine, conf. I
79344.7867 0.7779 -6.9365 3 114.6831207 89502 303341025 331122 a-Alanine, conf. I
79346.9835 0.7840 -6.7445 3 215.0697279 89502 303461432 461433 a-Alanine, conf. I
79363.8752 0.0715 -6.8267 3 107.3906183 89502 303301813 301713 a-Alanine, conf. I
79363.8792 0.0715 -5.4228 3 107.3906183 89502 303301812 301713 a-Alanine, conf. I
79363.9540 0.0715 -5.4228 3 107.3906183 89502 303301813 301714 a-Alanine, conf. I
79363.9580 0.0715 -6.8267 3 107.3906183 89502 303301812 301714 a-Alanine, conf. I
79390.7523 0.0740 -6.5690 3 46.2691129 89502 30321 912 21 615 a-Alanine, conf. I
79412.0566 0.0646 -6.9130 3 34.9917111 89502 30318 9 9 18 612 a-Alanine, conf. I
79413.9764 0.1892 -6.7016 3 124.8993219 89502 30336 828 36 829 a-Alanine, conf. I
79414.0732 0.1892 -5.4317 3 124.8993219 89502 30336 828 36 729 a-Alanine, conf. I
79415.5277 0.1891 -5.4317 3 124.8993219 89502 30336 928 36 829 a-Alanine, conf. I
79415.6245 0.1891 -6.7016 3 124.8993219 89502 30336 928 36 729 a-Alanine, conf. I
79426.6840 0.0018 -5.5541 3 9.3616 57 89502 303 9 7 3 8 6 2 a-Alanine, conf. I
79427.6142 0.0018 -6.6541 3 9.3616 57 89502 303 9 7 2 8 6 2 a-Alanine, conf. I
79430.9084 0.7700 -5.3697 3 215.0669279 89502 303461432 461333 a-Alanine, conf. I
79432.9683 0.0018 -6.6541 3 9.3614 57 89502 303 9 7 3 8 6 3 a-Alanine, conf. I
79433.8985 0.0018 -5.5540 3 9.3614 57 89502 303 9 7 2 8 6 3 a-Alanine, conf. I
79535.8168 1.0082 -6.7701 3 235.1449291 89502 303481533 481534 a-Alanine, conf. I
79536.0292 1.0465 -6.9798 3 230.9652285 89502 303471830 471631 a-Alanine, conf. I
79561.2237 0.1133 -6.3916 3 99.2186177 89502 303291713 281810 a-Alanine, conf. I
79561.2469 0.1134 -6.3916 3 99.2186177 89502 303291712 281811 a-Alanine, conf. I
79579.6456 1.2529 -5.3912 3 256.0600303 89502 303501634 501535 a-Alanine, conf. I
79617.8854 0.0137 -5.6095 3 21.1894 93 89502 30315 411 14 510 a-Alanine, conf. I
79641.9860 2.2324 -7.0659 3 332.2252339 89502 303562334 562234 a-Alanine, conf. I
79656.0726 0.0020 -5.6607 3 10.1880 63 89502 30310 6 5 9 5 4 a-Alanine, conf. I
79659.1627 0.7168 -6.8430 3 268.2034309 89502 303511834 511635 a-Alanine, conf. I
79678.6180 0.3479 -7.1236 3 280.9847273 89502 303453510 4436 9 a-Alanine, conf. I
79678.6180 0.3479 -7.1236 3 280.9847273 89502 303453511 4436 8 a-Alanine, conf. I
79701.7775 0.9775 -5.3766 3 235.1394291 89502 303481533 481434 a-Alanine, conf. I
79716.5864 0.5320 -5.3812 3 266.1783303 89502 303502130 502031 a-Alanine, conf. I
79752.0967 0.1134 -7.0052 3 32.9910111 89502 30318 711 18 414 a-Alanine, conf. I
79767.5220 0.0609 -6.8350 3 101.8725177 89502 303291812 291712 a-Alanine, conf. I
79767.5230 0.0609 -5.4396 3 101.8725177 89502 303291811 291712 a-Alanine, conf. I
79767.5450 0.0609 -5.4396 3 101.8725177 89502 303291812 291713 a-Alanine, conf. I
79767.5461 0.0609 -6.8350 3 101.8725177 89502 303291811 291713 a-Alanine, conf. I
79770.3533 0.0019 -6.6623 3 10.1880 63 89502 30310 6 4 9 5 4 a-Alanine, conf. I
79826.2957 3.3993 -6.3143 3 894.4508561 89502 303933459 933360 a-Alanine, conf. I
79883.8827 3.6418 -5.5645 3 417.4772381 89502 303632538 632439 a-Alanine, conf. I
79919.7731 0.1889 -6.7687 3 188.9706231 89502 303382711 372810 a-Alanine, conf. I
79919.7731 0.1889 -6.7687 3 188.9706231 89502 303382712 3728 9 a-Alanine, conf. I
79936.1223 3.1502 -5.4941 3 359.1580357 89502 303592039 591940 a-Alanine, conf. I
79937.9873 0.1060 -5.8956 3 65.5163171 89502 30328 226 28 127 a-Alanine, conf. I
79937.9873 0.1060 -7.0822 3 65.5163171 89502 30328 226 28 227 a-Alanine, conf. I
79937.9873 0.1060 -7.0822 3 65.5163171 89502 30328 326 28 127 a-Alanine, conf. I
79937.9873 0.1060 -5.8956 3 65.5163171 89502 30328 326 28 227 a-Alanine, conf. I
79942.5373 0.1074 -6.1560 3 46.2507129 89502 30321 912 201011 a-Alanine, conf. I
79973.8074 0.0106 -5.7199 3 15.9678 81 89502 30313 5 9 12 4 8 a-Alanine, conf. I
79976.1816 4.0326 -6.3444 3 912.5733567 89502 303943460 943361 a-Alanine, conf. I
79987.2509 0.2384 -6.9984 3 275.7973309 89502 303512130 512032 a-Alanine, conf. I
79998.5524 0.0171 -5.9314 3 19.5704 87 89502 30314 6 8 13 6 7 a-Alanine, conf. I
79998.9604 0.2243 -6.9066 3 280.4581315 89502 303521934 521735 a-Alanine, conf. I
80011.8835 0.6816 -5.3635 3 215.0697279 89502 303461532 461433 a-Alanine, conf. I
80013.6128 7.2818 -5.8351 3 602.5372459 89502 303762947 762848 a-Alanine, conf. I
80032.2220 0.4342 -6.8636 3 210.0727267 89502 303442025 441925 a-Alanine, conf. I
80073.3156 0.2009 -6.8098 3 161.0212231 89502 303381920 381820 a-Alanine, conf. I
80075.5246 0.2006 -5.3441 3 161.0212231 89502 303381919 381820 a-Alanine, conf. I
80084.0573 0.4250 -5.3458 3 210.0727267 89502 303442024 441925 a-Alanine, conf. I
80095.8084 0.6677 -6.7368 3 215.0669279 89502 303461532 461333 a-Alanine, conf. I
80098.2340 0.1979 -5.3439 3 161.0203231 89502 303381920 381821 a-Alanine, conf. I
80100.4431 0.1976 -6.8095 3 161.0203231 89502 303381919 381821 a-Alanine, conf. I
80100.6758 9.5276 -5.9035 3 645.2261477 89502 303792851 792752 a-Alanine, conf. I
80107.9102 0.1201 -6.4169 3 107.3658183 89502 303301813 291910 a-Alanine, conf. I
80107.9142 0.1201 -6.4169 3 107.3658183 89502 303301812 291911 a-Alanine, conf. I
80126.7704 0.0515 -6.8473 3 96.5459171 89502 303281811 281711 a-Alanine, conf. I
80126.7707 0.0515 -5.4600 3 96.5459171 89502 303281810 281711 a-Alanine, conf. I
80126.7767 0.0515 -5.4600 3 96.5459171 89502 303281811 281712 a-Alanine, conf. I
80126.7770 0.0515 -6.8473 3 96.5459171 89502 303281810 281712 a-Alanine, conf. I
80130.3970 0.0300 -5.3040 3 21.6712 99 -89502 30316 214 15 313 a-Alanine, conf. I
80134.2705 0.0047 -5.8280 3 21.6712 99 89502 30316 314 15 313 a-Alanine, conf. I
80140.4691 0.0047 -5.8279 3 21.6709 99 89502 30316 214 15 213 a-Alanine, conf. I
80144.2940 0.0300 -5.3038 3 21.6709 99 -89502 30316 314 15 213 a-Alanine, conf. I
80169.4412 0.0019 -6.6597 3 10.1709 63 89502 30310 6 5 9 5 5 a-Alanine, conf. I
80186.7435 1.0070 -5.4255 3 313.4955333 89502 303552036 551937 a-Alanine, conf. I
80219.5315 0.0915 -6.7844 3 93.3816195 89502 30332 527 32 528 a-Alanine, conf. I
80219.5319 0.0915 -5.5593 3 93.3816195 89502 30332 527 32 428 a-Alanine, conf. I
80219.5416 0.0915 -5.5593 3 93.3816195 89502 30332 627 32 528 a-Alanine, conf. I
80219.5420 0.0915 -6.7844 3 93.3816195 89502 30332 627 32 428 a-Alanine, conf. I
80230.2401 1.0009 -7.0725 3 182.4953261 89502 303431132 421429 a-Alanine, conf. I
80265.2349 0.5457 -6.9380 3 270.6526309 89502 303511933 511734 a-Alanine, conf. I
80283.7600 0.0300 -5.6571 3 10.1709 63 -89502 30310 6 4 9 5 5 a-Alanine, conf. I
80290.1208 0.3124 -5.4370 3 329.3439339 89502 303562235 562136 a-Alanine, conf. I
80301.0984 0.4745 -6.9072 3 129.6512219 89502 303361026 351323 a-Alanine, conf. I
80335.3128 0.2399 -6.8621 3 116.6992207 89502 303341024 331321 a-Alanine, conf. I
80420.2850 0.3426 -7.0361 3 285.6129315 89502 303522131 522033 a-Alanine, conf. I
80434.7604 0.3918 -6.6860 3 167.2557249 89502 303411130 411131 a-Alanine, conf. I
80435.4268 0.3843 -6.9609 3 266.1783303 89502 303502129 502031 a-Alanine, conf. I
80438.5996 0.3913 -5.3688 3 167.2555249 89502 303411130 411031 a-Alanine, conf. I
80445.9933 0.0431 -6.8640 3 91.4098165 89502 303271810 271710 a-Alanine, conf. I
80445.9934 0.0431 -5.4843 3 91.4098165 89502 3032718 9 271710 a-Alanine, conf. I
80445.9949 0.0431 -5.4843 3 91.4098165 89502 303271810 271711 a-Alanine, conf. I
80445.9950 0.0431 -6.8640 3 91.4098165 89502 3032718 9 271711 a-Alanine, conf. I
80451.9083 0.2769 -5.4478 3 340.0998345 89502 303572236 572137 a-Alanine, conf. I
80457.4955 0.3676 -5.3419 3 210.0585267 89502 303442025 441926 a-Alanine, conf. I
80477.0816 0.3866 -5.3684 3 167.2557249 89502 303411230 411131 a-Alanine, conf. I
80480.9208 0.3861 -6.6855 3 167.2555249 89502 303411230 411031 a-Alanine, conf. I
80509.3309 0.3586 -6.8587 3 210.0585267 89502 303442024 441926 a-Alanine, conf. I
80593.7519 0.2039 -6.7964 3 200.3147237 89502 303392811 382910 a-Alanine, conf. I
80593.7519 0.2039 -6.7964 3 200.3147237 89502 303392812 3829 9 a-Alanine, conf. I
80678.6495 0.1272 -6.4422 3 115.8511189 89502 303311913 302010 a-Alanine, conf. I
80678.6502 0.1272 -6.4422 3 115.8511189 89502 303311912 302011 a-Alanine, conf. I
80678.9455 0.1276 -6.1705 3 58.4455165 89502 30327 126 27 027 a-Alanine, conf. I
80678.9455 0.1276 -6.1705 3 58.4455165 89502 30327 226 27 127 a-Alanine, conf. I
80704.2273 0.4629 -5.4224 3 318.7690333 89502 303552234 552135 a-Alanine, conf. I
80729.0484 0.0359 -5.5133 3 86.4636159 89502 3032618 8 2617 9 a-Alanine, conf. I
80729.0484 0.0359 -6.8858 3 86.4636159 89502 3032618 9 2617 9 a-Alanine, conf. I
80729.0488 0.0359 -6.8858 3 86.4636159 89502 3032618 8 261710 a-Alanine, conf. I
80729.0488 0.0359 -5.5133 3 86.4636159 89502 3032618 9 261710 a-Alanine, conf. I
80741.5538 0.8050 -5.3657 3 235.1449291 89502 303481633 481534 a-Alanine, conf. I
80772.1033 1.8933 -5.4474 3 332.2252339 89502 303562333 562234 a-Alanine, conf. I
80873.9633 0.3600 -6.8715 3 123.0858213 89502 303351025 341322 a-Alanine, conf. I
80882.2627 0.1750 -6.7972 3 153.9627225 89502 303371919 371819 a-Alanine, conf. I
80882.9671 0.1479 -6.7077 3 115.9936213 89502 30335 728 35 729 a-Alanine, conf. I
80882.9797 0.1479 -5.4549 3 115.9936213 89502 30335 728 35 629 a-Alanine, conf. I
80883.0621 0.1749 -5.3432 3 153.9627225 89502 303371918 371819 a-Alanine, conf. I
80883.2091 0.1479 -5.4549 3 115.9936213 89502 30335 828 35 729 a-Alanine, conf. I
80883.2217 0.1479 -6.7077 3 115.9936213 89502 30335 828 35 629 a-Alanine, conf. I
80892.0964 0.1738 -5.3431 3 153.9623225 89502 303371919 371820 a-Alanine, conf. I
80892.8958 0.1737 -6.7971 3 153.9623225 89502 303371918 371820 a-Alanine, conf. I
80907.5145 0.7746 -6.7562 3 235.1394291 89502 303481633 481434 a-Alanine, conf. I
80926.6751 2.7538 -6.9145 3 334.5010345 89502 303571938 571939 a-Alanine, conf. I
80979.3734 0.0299 -5.5480 3 81.7063153 89502 3032518 7 2517 8 a-Alanine, conf. I
80979.3734 0.0299 -6.9136 3 81.7063153 89502 3032518 8 2517 8 a-Alanine, conf. I
80979.3735 0.0299 -6.9136 3 81.7063153 89502 3032518 7 2517 9 a-Alanine, conf. I
80979.3735 0.0299 -5.5480 3 81.7063153 89502 3032518 8 2517 9 a-Alanine, conf. I
81004.8207 0.2478 -6.6790 3 140.6273231 89502 30338 929 38 930 a-Alanine, conf. I
81005.0860 0.2477 -5.3959 3 140.6273231 89502 30338 929 38 830 a-Alanine, conf. I
81007.3045 8.4577 -6.1815 3 821.1251537 89502 303893356 893257 a-Alanine, conf. I
81008.6044 0.2474 -5.3959 3 140.6273231 89502 303381029 38 930 a-Alanine, conf. I
81008.8697 0.2474 -6.6789 3 140.6273231 89502 303381029 38 830 a-Alanine, conf. I
81027.5583 0.5305 -5.3641 3 256.7607297 89502 303492129 492030 a-Alanine, conf. I
81088.0151 9.7350 -6.2706 3 873.7720555 89502 303923359 923260 a-Alanine, conf. I
81145.5576 8.0749 -5.7729 3 566.0959447 89502 303742648 742549 a-Alanine, conf. I
81200.0573 0.0255 -5.5897 3 77.1373147 89502 3032418 6 2417 7 a-Alanine, conf. I
81200.0573 0.0255 -6.9487 3 77.1373147 89502 3032418 6 2417 8 a-Alanine, conf. I
81200.0573 0.0255 -6.9487 3 77.1373147 89502 3032418 7 2417 7 a-Alanine, conf. I
81200.0573 0.0255 -5.5897 3 77.1373147 89502 3032418 7 2417 8 a-Alanine, conf. I
81208.6788 0.6515 -7.0249 3 133.4075219 89502 303361224 351521 a-Alanine, conf. I
81232.1102 0.7186 -6.9038 3 247.5852291 89502 303482128 482028 a-Alanine, conf. I
81253.1447 4.5507 -5.5653 3 423.0306387 89502 303642242 642143 a-Alanine, conf. I
81264.4785 0.0888 -5.6266 3 85.3792189 89502 30331 427 31 328 a-Alanine, conf. I
81264.4785 0.0888 -6.8376 3 85.3792189 89502 30331 427 31 428 a-Alanine, conf. I
81264.4795 0.0888 -6.8376 3 85.3792189 89502 30331 527 31 328 a-Alanine, conf. I
81264.4795 0.0888 -5.6266 3 85.3792189 89502 30331 527 31 428 a-Alanine, conf. I
81268.6289 0.1348 -6.4678 3 124.6744195 89502 303322013 312110 a-Alanine, conf. I
81268.6290 0.1348 -6.4678 3 124.6744195 89502 303322012 312111 a-Alanine, conf. I
81270.4958 0.2204 -6.8244 3 211.9960243 89502 303402911 393010 a-Alanine, conf. I
81270.4958 0.2204 -6.8244 3 211.9960243 89502 303402912 3930 9 a-Alanine, conf. I
81272.7295 0.5787 -6.8751 3 290.3801321 89502 303531935 531736 a-Alanine, conf. I
81275.3477 0.5063 -5.4544 3 351.0281351 89502 303582237 582138 a-Alanine, conf. I
81279.7475 0.0130 -5.8848 3 18.9577 87 89502 30314 5 9 13 5 8 a-Alanine, conf. I
81289.7533 0.0115 -6.2647 3 8.8170 63 89502 30310 4 6 9 3 7 a-Alanine, conf. I
81300.6728 0.0045 -6.7420 3 10.5755 69 89502 30311 4 8 10 3 8 a-Alanine, conf. I
81305.3430 1.2500 -6.9693 3 288.2955315 89502 303522231 522131 a-Alanine, conf. I
81329.6081 0.9570 -5.4407 3 337.3869345 89502 303572137 572038 a-Alanine, conf. I
81372.7895 0.4579 -6.9248 3 256.7607297 89502 303492128 492030 a-Alanine, conf. I
81378.4569 0.9319 -5.3726 3 256.0706303 89502 303501734 501635 a-Alanine, conf. I
81392.1004 0.6839 -5.3577 3 247.5852291 89502 303482127 482028 a-Alanine, conf. I
81393.8952 0.0228 -5.6405 3 72.7560141 89502 3032318 5 2317 6 a-Alanine, conf. I
81393.8952 0.0228 -6.9933 3 72.7560141 89502 3032318 6 2317 6 a-Alanine, conf. I
81393.8953 0.0228 -6.9933 3 72.7560141 89502 3032318 5 2317 7 a-Alanine, conf. I
81393.8953 0.0228 -5.6405 3 72.7560141 89502 3032318 6 2317 7 a-Alanine, conf. I
81420.9814 0.3597 -6.8357 3 201.8330261 89502 303432024 431924 a-Alanine, conf. I
81442.8039 0.3560 -5.3332 3 201.8330261 89502 303432023 431924 a-Alanine, conf. I
81469.5403 0.0656 -5.9478 3 28.8051105 89502 30317 611 16 710 a-Alanine, conf. I
81469.9656 0.0058 -5.8663 3 21.1894 93 89502 30315 511 14 510 a-Alanine, conf. I
81473.0897 1.3598 -7.0951 3 273.3300309 89502 303512031 511933 a-Alanine, conf. I
81527.0416 2.8561 -7.1037 3 367.9039357 89502 303592436 592336 a-Alanine, conf. I
81559.8626 0.4917 -6.6870 3 185.1718261 89502 303431231 431232 a-Alanine, conf. I
81562.0527 8.2358 -5.8978 3 650.2049477 89502 303793049 792950 a-Alanine, conf. I
81562.4800 0.0300 -5.1919 3 22.9128105 -89502 30317 116 16 215 a-Alanine, conf. I
81562.4537 0.0053 -5.7747 3 22.9128105 89502 30317 216 16 215 a-Alanine, conf. I
81562.5226 0.0053 -5.7747 3 22.9128105 89502 30317 116 16 115 a-Alanine, conf. I
81562.4800 0.0300 -5.1919 3 22.9128105 -89502 30317 216 16 115 a-Alanine, conf. I
81563.4320 0.0221 -5.7035 3 68.5617135 89502 3032218 4 2217 5 a-Alanine, conf. I
81563.4320 0.0221 -7.0503 3 68.5617135 89502 3032218 4 2217 6 a-Alanine, conf. I
81563.4320 0.0221 -7.0503 3 68.5617135 89502 3032218 5 2217 5 a-Alanine, conf. I
81563.4320 0.0221 -5.7035 3 68.5617135 89502 3032218 5 2217 6 a-Alanine, conf. I
81567.6376 1.2675 -7.0361 3 194.3313261 89502 303431727 431528 a-Alanine, conf. I
81567.8790 0.5774 -5.4052 3 308.3830327 89502 303542233 542134 a-Alanine, conf. I
81568.5636 0.4905 -5.3551 3 185.1715261 89502 303431231 431132 a-Alanine, conf. I
81571.2340 4.3923 -5.6055 3 457.3665399 89502 303662640 662541 a-Alanine, conf. I
81579.1599 0.0040 -6.8860 3 9.7570 69 89502 30311 2 9 10 1 9 a-Alanine, conf. I
81601.0756 0.1529 -6.7878 3 147.1027219 89502 303361918 361818 a-Alanine, conf. I
81601.3526 0.1528 -5.3446 3 147.1027219 89502 303361917 361818 a-Alanine, conf. I
81602.2159 1.1535 -7.0567 3 182.4499261 89502 303431232 421329 a-Alanine, conf. I
81604.7948 0.1525 -5.3445 3 147.1026219 89502 303361918 361819 a-Alanine, conf. I
81605.0718 0.1524 -6.7877 3 147.1026219 89502 303361917 361819 a-Alanine, conf. I
81615.9625 0.3299 -5.3314 3 201.8265261 89502 303432024 431925 a-Alanine, conf. I
81625.6028 6.2624 -5.6590 3 492.0196417 89502 303692445 692346 a-Alanine, conf. I
81637.7851 0.3261 -6.8335 3 201.8265261 89502 303432023 431925 a-Alanine, conf. I
81647.3496 0.4798 -5.3543 3 185.1718261 89502 303431331 431232 a-Alanine, conf. I
81653.6940 0.0108 -6.7182 3 34.3902 93 89502 3031514 1 1414 0 a-Alanine, conf. I
81653.6940 0.0108 -6.7182 3 34.3902 93 89502 3031514 2 1414 1 a-Alanine, conf. I
81656.0505 0.4785 -6.6861 3 185.1715261 89502 303431331 431132 a-Alanine, conf. I
81696.5526 0.8677 -6.7809 3 256.0600303 89502 303501734 501535 a-Alanine, conf. I
81710.9965 0.0231 -5.7842 3 64.5538129 89502 3032118 3 2117 4 a-Alanine, conf. I
81710.9965 0.0231 -7.1254 3 64.5538129 89502 3032118 3 2117 5 a-Alanine, conf. I
81710.9965 0.0231 -7.1254 3 64.5538129 89502 3032118 4 2117 4 a-Alanine, conf. I
81710.9965 0.0231 -5.7842 3 64.5538129 89502 3032118 4 2117 5 a-Alanine, conf. I
81750.7641 1.1348 -5.3907 3 288.2955315 89502 303522230 522131 a-Alanine, conf. I
81755.8908 0.0085 -6.4270 3 32.2797 93 89502 3031513 2 1413 1 a-Alanine, conf. I
81755.8908 0.0085 -6.4270 3 32.2797 93 89502 3031513 3 1413 2 a-Alanine, conf. I
81807.7902 3.4932 -6.3990 3 952.1299579 89502 303963561 963462 a-Alanine, conf. I
81837.2178 11.5315 -6.1110 3 781.6556525 89502 303873156 873057 a-Alanine, conf. I
81838.7297 0.0254 -5.8927 3 60.7318123 89502 3032018 2 2017 3 a-Alanine, conf. I
81838.7297 0.0254 -5.8927 3 60.7318123 89502 3032018 3 2017 4 a-Alanine, conf. I
81848.4188 1.7147 -7.1206 3 251.8996297 89502 303491930 491832 a-Alanine, conf. I
81874.1931 0.1430 -6.4935 3 133.8356201 89502 303332112 322211 a-Alanine, conf. I
81874.1931 0.1430 -6.4935 3 133.8356201 89502 303332113 322210 a-Alanine, conf. I
81885.9224 0.0069 -6.2613 3 30.3293 93 89502 3031512 4 1412 3 a-Alanine, conf. I
81885.9227 0.0069 -6.2613 3 30.3293 93 89502 3031512 3 1412 2 a-Alanine, conf. I
81887.8937 0.0035 -6.8830 3 9.7585 69 89502 30311 3 9 10 2 9 a-Alanine, conf. I
81895.2329 0.9824 -6.9604 3 143.1275231 89502 303381128 371225 a-Alanine, conf. I
81909.7962 0.0509 -6.2241 3 48.9173135 89502 30322 815 21 912 a-Alanine, conf. I
81925.4961 0.1803 -6.4541 3 57.5610147 89502 30324 817 23 914 a-Alanine, conf. I
81935.8062 1.0511 -7.1169 3 149.1885231 89502 303381325 371622 a-Alanine, conf. I
81937.2451 0.1403 -6.7705 3 41.2140123 89502 30320 812 20 515 a-Alanine, conf. I
81938.2285 2.4673 -5.4479 3 334.4673345 89502 303571938 571839 a-Alanine, conf. I
81948.6074 0.0285 -6.0522 3 57.0951117 89502 3031918 1 1917 2 a-Alanine, conf. I
81948.6074 0.0285 -6.0522 3 57.0951117 89502 3031918 2 1917 3 a-Alanine, conf. I
81949.5487 0.2383 -6.8530 3 224.0145249 89502 303413011 403110 a-Alanine, conf. I
81949.5487 0.2383 -6.8530 3 224.0145249 89502 303413012 4031 9 a-Alanine, conf. I
81959.1077 1.0531 -5.3835 3 277.8442315 89502 303521835 521736 a-Alanine, conf. I
82042.4579 0.0319 -6.3362 3 53.6432111 89502 3031818 0 1817 1 a-Alanine, conf. I
82042.4579 0.0319 -6.3362 3 53.6432111 89502 3031818 1 1817 2 a-Alanine, conf. I
82055.2288 0.0062 -6.1472 3 28.5402 93 89502 3031511 5 1411 4 a-Alanine, conf. I
82055.2401 0.0062 -6.1472 3 28.5402 93 89502 3031511 4 1411 3 a-Alanine, conf. I
82085.2791 4.8029 -6.4296 3 970.8134585 89502 303973562 973463 a-Alanine, conf. I
82181.5531 0.1171 -6.7262 3 107.3005207 89502 30334 628 34 629 a-Alanine, conf. I
82181.5545 0.1171 -5.4892 3 107.3005207 89502 30334 628 34 529 a-Alanine, conf. I
82181.5859 0.1171 -5.4892 3 107.3005207 89502 30334 728 34 629 a-Alanine, conf. I
82181.5873 0.1171 -6.7262 3 107.3005207 89502 30334 728 34 529 a-Alanine, conf. I
82194.3257 0.1003 -5.7232 3 77.5998183 89502 30330 327 30 228 a-Alanine, conf. I
82194.3257 0.1003 -6.9211 3 77.5998183 89502 30330 327 30 328 a-Alanine, conf. I
82194.3258 0.1003 -6.9211 3 77.5998183 89502 30330 427 30 228 a-Alanine, conf. I
82194.3258 0.1003 -5.7232 3 77.5998183 89502 30330 427 30 328 a-Alanine, conf. I
82220.1777 0.0118 -5.6310 3 18.4469 87 89502 30314 510 13 4 9 a-Alanine, conf. I
82243.0797 0.1336 -6.7813 3 140.4397213 89502 303351917 351817 a-Alanine, conf. I
82243.1714 0.1336 -5.3482 3 140.4397213 89502 303351916 351817 a-Alanine, conf. I
82244.4258 0.1335 -5.3482 3 140.4396213 89502 303351917 351818 a-Alanine, conf. I
82244.5175 0.1335 -6.7813 3 140.4396213 89502 303351916 351818 a-Alanine, conf. I
82259.7141 0.9469 -7.0731 3 295.6189321 89502 303532132 532034 a-Alanine, conf. I
82282.2692 0.0068 -6.0616 3 26.9142 93 89502 3031510 6 1410 5 a-Alanine, conf. I
82282.6245 0.0068 -6.0616 3 26.9142 93 89502 3031510 5 1410 4 a-Alanine, conf. I
82284.4381 0.0519 -6.1218 3 50.1683135 89502 30322 914 211011 a-Alanine, conf. I
82364.8824 0.0039 -6.6511 3 11.2942 69 89502 30311 5 7 10 4 7 a-Alanine, conf. I
82375.8505 0.5040 -5.3477 3 247.5471291 89502 303482128 482029 a-Alanine, conf. I
82394.4575 4.2535 -7.0050 3 396.3221375 89502 303622141 622142 a-Alanine, conf. I
82476.4429 0.3180 -6.6650 3 157.2235243 89502 303401030 401031 a-Alanine, conf. I
82477.1249 0.3179 -5.3686 3 157.2235243 89502 303401030 40 931 a-Alanine, conf. I
82485.1974 0.3170 -5.3685 3 157.2235243 89502 303401130 401031 a-Alanine, conf. I
82485.8794 0.3169 -6.6649 3 157.2235243 89502 303401130 40 931 a-Alanine, conf. I
82492.5145 0.1518 -6.5196 3 143.3346207 89502 303342212 332311 a-Alanine, conf. I
82492.5145 0.1518 -6.5196 3 143.3346207 89502 303342213 332310 a-Alanine, conf. I
82493.1959 0.0366 -5.7449 3 24.8605 99 89502 30316 511 15 610 a-Alanine, conf. I
82508.8422 0.6135 -6.6951 3 203.9477273 89502 303451332 451333 a-Alanine, conf. I
82527.7656 0.6104 -5.3480 3 203.9470273 89502 303451332 451233 a-Alanine, conf. I
82535.0547 1.1560 -5.3980 3 300.4630327 89502 303541936 541837 a-Alanine, conf. I
82535.8407 0.4705 -6.8909 3 247.5471291 89502 303482127 482029 a-Alanine, conf. I
82545.1055 1.1700 -6.9691 3 260.9561303 89502 303501932 501733 a-Alanine, conf. I
82551.0155 0.9233 -6.8104 3 277.8244315 89502 303521835 521636 a-Alanine, conf. I
82593.0439 0.3062 -6.8125 3 193.8009255 89502 303422023 421923 a-Alanine, conf. I
82596.7748 0.0083 -5.9938 3 25.4542 93 89502 30315 9 7 14 9 6 a-Alanine, conf. I
82601.9016 0.3047 -5.3238 3 193.8009255 89502 303422022 421923 a-Alanine, conf. I
82604.4023 0.0084 -5.9937 3 25.4543 93 89502 30315 9 6 14 9 5 a-Alanine, conf. I
82619.9334 0.1967 -6.6758 3 131.2570225 89502 30337 829 37 830 a-Alanine, conf. I
82619.9717 0.1967 -5.4105 3 131.2570225 89502 30337 829 37 730 a-Alanine, conf. I
82620.5789 0.1967 -5.4105 3 131.2570225 89502 30337 929 37 830 a-Alanine, conf. I
82620.6172 0.1967 -6.6758 3 131.2570225 89502 30337 929 37 730 a-Alanine, conf. I
82630.5196 0.2578 -6.8820 3 236.3702255 89502 303423111 413210 a-Alanine, conf. I
82630.5196 0.2578 -6.8820 3 236.3702255 89502 303423112 4132 9 a-Alanine, conf. I
82650.3986 2.0639 -6.8517 3 310.6253333 89502 303551837 551838 a-Alanine, conf. I
82679.0451 0.2934 -5.3230 3 193.7981255 89502 303422023 421924 a-Alanine, conf. I
82683.1946 0.5869 -5.3464 3 203.9477273 89502 303451432 451333 a-Alanine, conf. I
82687.9027 0.2919 -6.8115 3 193.7981255 89502 303422022 421924 a-Alanine, conf. I
82702.1180 0.5838 -6.6932 3 203.9470273 89502 303451432 451233 a-Alanine, conf. I
82724.8707 0.9384 -7.0038 3 174.7219255 89502 303421131 411428 a-Alanine, conf. I
82738.4238 0.6353 -5.3865 3 298.1925321 89502 303532232 532133 a-Alanine, conf. I
82788.4749 0.8387 -5.4566 3 362.1207357 89502 303592238 592139 a-Alanine, conf. I
82818.0820 0.1167 -6.7777 3 133.9724207 89502 303341916 341816 a-Alanine, conf. I
82818.1109 0.1167 -5.3542 3 133.9724207 89502 303341915 341816 a-Alanine, conf. I
82818.5472 0.1166 -5.3542 3 133.9723207 89502 303341916 341817 a-Alanine, conf. I
82818.5762 0.1166 -6.7777 3 133.9723207 89502 303341915 341817 a-Alanine, conf. I
82843.5959 9.2007 -6.2617 3 876.4768555 89502 303923458 923359 a-Alanine, conf. I
82910.8184 2.3817 -5.4727 3 367.9039357 89502 303592435 592336 a-Alanine, conf. I
82982.2970 0.1066 -6.3097 3 53.1237141 89502 30323 816 22 913 a-Alanine, conf. I
83010.9750 0.0300 -5.0995 3 23.9690111 -89502 30318 018 17 117 a-Alanine, conf. I
83010.9789 0.0098 -5.7232 3 23.9690111 89502 30318 118 17 117 a-Alanine, conf. I
83010.9792 0.0098 -5.7232 3 23.9690111 89502 30318 018 17 017 a-Alanine, conf. I
83010.9750 0.0300 -5.0995 3 23.9690111 -89502 30318 118 17 017 a-Alanine, conf. I
83013.0039 0.0053 -5.8440 3 21.0762 93 89502 30315 411 14 410 a-Alanine, conf. I
83023.1095 0.1201 -5.8720 3 70.0466177 89502 30329 227 29 128 a-Alanine, conf. I
83023.1095 0.1201 -7.0577 3 70.0466177 89502 30329 227 29 228 a-Alanine, conf. I
83023.1095 0.1201 -7.0577 3 70.0466177 89502 30329 327 29 128 a-Alanine, conf. I
83023.1095 0.1201 -5.8720 3 70.0466177 89502 30329 327 29 228 a-Alanine, conf. I
83023.5513 0.0102 -5.9383 3 24.1652 93 89502 30315 8 8 14 8 7 a-Alanine, conf. I
83047.7458 0.4949 -6.7259 3 83.7059177 89502 30329 921 281018 a-Alanine, conf. I
83121.3695 0.1612 -6.5459 3 153.1714213 89502 303352312 342411 a-Alanine, conf. I
83121.3695 0.1612 -6.5459 3 153.1714213 89502 303352313 342410 a-Alanine, conf. I
83130.6517 0.0089 -5.8673 3 22.0875 93 89502 30315 610 14 6 9 a-Alanine, conf. I
83131.8670 0.0112 -5.9372 3 24.1670 93 89502 30315 8 7 14 8 6 a-Alanine, conf. I
83132.5640 0.5680 -6.8660 3 238.5575285 89502 303472127 472027 a-Alanine, conf. I
83159.7072 9.2575 -5.9649 3 699.6590495 89502 303823151 823052 a-Alanine, conf. I
83172.8729 1.2243 -5.4151 3 323.9248339 89502 303562037 561938 a-Alanine, conf. I
83177.8210 0.0300 -5.3597 3 22.8594 99 -89502 30316 313 15 412 a-Alanine, conf. I
83204.1799 0.5529 -5.3376 3 238.5575285 89502 303472126 472027 a-Alanine, conf. I
83210.1809 1.9168 -5.4116 3 310.6067333 89502 303551837 551738 a-Alanine, conf. I
83225.6912 5.2351 -5.6521 3 499.0616417 89502 303692742 692643 a-Alanine, conf. I
83248.1996 0.7650 -6.7102 3 223.5805285 89502 303471433 471434 a-Alanine, conf. I
83256.0723 0.0055 -5.8089 3 22.8594 99 89502 30316 413 15 412 a-Alanine, conf. I
83287.8639 0.7579 -5.3472 3 223.5792285 89502 303471433 471334 a-Alanine, conf. I
83313.0708 0.2789 -6.9116 3 249.0629261 89502 303433211 423310 a-Alanine, conf. I
83313.0708 0.2789 -6.9116 3 249.0629261 89502 303433212 4233 9 a-Alanine, conf. I
83327.5730 11.0556 -5.9575 3 694.5006495 89502 303822953 822854 a-Alanine, conf. I
83333.7604 0.1015 -6.7771 3 127.6995201 89502 303331915 331815 a-Alanine, conf. I
83333.7691 0.1015 -5.3627 3 127.6995201 89502 303331914 331815 a-Alanine, conf. I
83333.9136 0.1015 -5.3627 3 127.6995201 89502 303331915 331816 a-Alanine, conf. I
83333.9223 0.1015 -6.7771 3 127.6995201 89502 303331914 331816 a-Alanine, conf. I
83335.6458 0.1002 -6.7599 3 98.8240201 89502 30333 528 33 529 a-Alanine, conf. I
83335.6459 0.1002 -5.5373 3 98.8240201 89502 30333 528 33 429 a-Alanine, conf. I
83335.6496 0.1002 -5.5373 3 98.8240201 89502 30333 628 33 529 a-Alanine, conf. I
83335.6497 0.1002 -6.7599 3 98.8240201 89502 30333 628 33 429 a-Alanine, conf. I
83355.2753 0.2465 -7.0153 3 308.3830327 89502 303542232 542134 a-Alanine, conf. I
83360.4765 0.0056 -5.8077 3 22.8533 99 89502 30316 313 15 312 a-Alanine, conf. I
83414.9054 0.3352 -5.4532 3 364.8823357 89502 303592337 592238 a-Alanine, conf. I
83417.4148 0.0110 -5.8938 3 23.0504 93 89502 30315 7 9 14 7 8 a-Alanine, conf. I
83424.8519 11.2319 -6.3514 3 930.8098573 89502 303953461 953362 a-Alanine, conf. I
83438.7380 0.0300 -5.3566 3 22.8533 99 -89502 30316 413 15 312 a-Alanine, conf. I
83516.0477 0.0780 -6.1119 3 55.7606141 89502 303231014 221111 a-Alanine, conf. I
83523.2252 0.1180 -6.0742 3 41.1611123 89502 30320 812 19 911 a-Alanine, conf. I
83542.3611 0.0135 -6.5908 3 13.1811 75 89502 30312 4 8 11 3 8 a-Alanine, conf. I
83563.0459 1.5699 -6.8019 3 287.5927321 89502 303531736 531737 a-Alanine, conf. I
83580.2548 0.3104 -6.9099 3 313.3823333 89502 303552036 551837 a-Alanine, conf. I
83584.1305 0.7082 -5.3442 3 223.5805285 89502 303471533 471434 a-Alanine, conf. I
83585.8596 0.5437 -6.9385 3 303.0193327 89502 303542035 541836 a-Alanine, conf. I
83605.3188 0.9035 -6.8440 3 300.4273327 89502 303541936 541737 a-Alanine, conf. I
83608.2528 0.2652 -6.7931 3 185.9731249 89502 303412022 411922 a-Alanine, conf. I
83611.7167 0.2646 -5.3170 3 185.9731249 89502 303412021 411922 a-Alanine, conf. I
83612.1987 0.0067 -6.5407 3 13.6557 75 89502 30312 5 7 11 4 7 a-Alanine, conf. I
83623.7949 0.7011 -6.7065 3 223.5792285 89502 303471533 471334 a-Alanine, conf. I
83644.7588 0.2599 -5.3166 3 185.9719249 89502 303412022 411923 a-Alanine, conf. I
83647.2512 0.4211 -6.9762 3 298.1925321 89502 303532231 532133 a-Alanine, conf. I
83648.2227 0.2593 -6.7927 3 185.9719249 89502 303412021 411923 a-Alanine, conf. I
83683.9178 0.3506 -5.4651 3 376.2046363 89502 303602338 602239 a-Alanine, conf. I
83690.9740 0.4644 -5.3327 3 238.5388285 89502 303472127 472028 a-Alanine, conf. I
83720.9931 1.6214 -6.9950 3 321.5736333 89502 303552333 552233 a-Alanine, conf. I
83727.1891 0.9592 -6.7325 3 244.0675297 89502 303491534 491535 a-Alanine, conf. I
83749.8800 0.5128 -5.4376 3 353.7391351 89502 303582336 582237 a-Alanine, conf. I
83758.9837 0.1715 -6.5726 3 163.3457219 89502 303362412 352511 a-Alanine, conf. I
83758.9837 0.1715 -6.5726 3 163.3457219 89502 303362413 352510 a-Alanine, conf. I
83762.3743 0.1435 -6.1468 3 62.7223171 89502 30328 127 28 028 a-Alanine, conf. I
83762.3743 0.1435 -6.1468 3 62.7223171 89502 30328 227 28 128 a-Alanine, conf. I
83762.5899 0.4496 -6.8598 3 238.5388285 89502 303472126 472028 a-Alanine, conf. I
83796.4094 0.0879 -6.7796 3 121.6201195 89502 303321914 321814 a-Alanine, conf. I
83796.4119 0.0879 -5.3737 3 121.6201195 89502 303321913 321814 a-Alanine, conf. I
83796.4573 0.0879 -5.3737 3 121.6201195 89502 303321914 321815 a-Alanine, conf. I
83796.4598 0.0879 -6.7796 3 121.6201195 89502 303321913 321815 a-Alanine, conf. I
83803.1279 3.6902 -6.4883 3 1011.5661597 89502 303993663 993564 a-Alanine, conf. I
83807.5820 0.9431 -5.3528 3 244.0648297 89502 303491534 491435 a-Alanine, conf. I
83821.3051 0.4014 -6.6588 3 174.6853255 89502 303421131 421132 a-Alanine, conf. I
83822.9656 0.4011 -5.3489 3 174.6852255 89502 303421131 421032 a-Alanine, conf. I
83840.6500 0.3988 -5.3487 3 174.6853255 89502 303421231 421132 a-Alanine, conf. I
83842.3105 0.3986 -6.6586 3 174.6852255 89502 303421231 421032 a-Alanine, conf. I
83864.5667 1.4970 -5.3843 3 287.5827321 89502 303531736 531637 a-Alanine, conf. I
83869.5012 1.2168 -6.7627 3 265.4059309 89502 303511635 511636 a-Alanine, conf. I
83878.5571 0.0937 -6.1281 3 61.7032147 89502 303241114 231211 a-Alanine, conf. I
83951.5609 1.2400 -5.4344 3 348.2277351 89502 303582138 582039 a-Alanine, conf. I
83996.9086 0.3018 -6.9417 3 262.0927267 89502 303443311 433410 a-Alanine, conf. I
83996.9086 0.3018 -6.9417 3 262.0927267 89502 303443312 4334 9 a-Alanine, conf. I
84021.6627 0.1029 -6.1522 3 67.9901153 89502 303251214 241311 a-Alanine, conf. I
84027.4716 1.1820 -5.3649 3 265.4006309 89502 303511635 511536 a-Alanine, conf. I
84042.7622 0.9370 -6.9178 3 278.4654309 89502 303512230 512130 a-Alanine, conf. I
84046.6773 0.1551 -6.6832 3 122.0958219 89502 30336 729 36 730 a-Alanine, conf. I
84046.6822 0.1551 -5.4342 3 122.0958219 89502 30336 729 36 630 a-Alanine, conf. I
84046.7742 0.1551 -5.4342 3 122.0958219 89502 30336 829 36 730 a-Alanine, conf. I
84046.7790 0.1551 -6.6832 3 122.0958219 89502 30336 829 36 630 a-Alanine, conf. I
84080.2051 0.5393 -7.0543 3 318.7690333 89502 303552233 552135 a-Alanine, conf. I
84080.7787 0.6448 -5.3674 3 288.2029315 89502 303522231 522132 a-Alanine, conf. I
84083.1109 3.6603 -5.5061 3 396.2657375 89502 303622141 622042 a-Alanine, conf. I
84142.4542 0.0021 -5.4320 3 10.3706 57 89502 303 9 8 2 8 7 1 a-Alanine, conf. I
84142.4688 0.0021 -6.5661 3 10.3706 57 89502 303 9 8 1 8 7 1 a-Alanine, conf. I
84142.5732 0.0021 -6.5661 3 10.3706 57 89502 303 9 8 2 8 7 2 a-Alanine, conf. I
84142.5878 0.0021 -5.4320 3 10.3706 57 89502 303 9 8 1 8 7 2 a-Alanine, conf. I
84152.0543 5.5271 -6.5198 3 1030.8099603 89502 303A03664 A03565 a-Alanine, conf. I
84192.7549 0.1094 -6.1781 3 74.6189159 89502 303261314 251411 a-Alanine, conf. I
84211.3541 0.0757 -6.7853 3 115.7332189 89502 303311913 311813 a-Alanine, conf. I
84211.3547 0.0757 -5.3875 3 115.7332189 89502 303311912 311813 a-Alanine, conf. I
84211.3683 0.0757 -5.3875 3 115.7332189 89502 303311913 311814 a-Alanine, conf. I
84211.3689 0.0757 -6.7853 3 115.7332189 89502 303311912 311814 a-Alanine, conf. I
84215.4309 0.1097 -6.1500 3 67.9899153 89502 303251213 241312 a-Alanine, conf. I
84239.2610 0.1114 -6.1776 3 74.6188159 89502 303261313 251412 a-Alanine, conf. I
84249.3635 0.2565 -6.6538 3 147.3915237 89502 30339 930 39 931 a-Alanine, conf. I
84249.4713 0.2565 -5.3760 3 147.3915237 89502 30339 930 39 831 a-Alanine, conf. I
84250.9804 0.2563 -5.3760 3 147.3915237 89502 303391030 39 931 a-Alanine, conf. I
84251.0882 0.2563 -6.6538 3 147.3915237 89502 303391030 39 831 a-Alanine, conf. I
84253.6463 0.8834 -5.3610 3 278.4654309 89502 303512229 512130 a-Alanine, conf. I
84266.6100 0.2105 -6.8455 3 124.8923213 89502 303351124 341421 a-Alanine, conf. I
84285.3443 1.4528 -5.4051 3 321.5736333 89502 303552332 552233 a-Alanine, conf. I
84325.1117 0.0029 -5.6359 3 12.0591 69 89502 30311 6 6 10 5 5 a-Alanine, conf. I
84339.3567 0.0173 -5.8837 3 23.0724 93 89502 30315 7 8 14 7 7 a-Alanine, conf. I
84354.2001 0.8428 -5.3473 3 244.0675297 89502 303491634 491535 a-Alanine, conf. I
84355.2273 1.5133 -7.0131 3 221.9386279 89502 303461829 461630 a-Alanine, conf. I
84364.9869 0.1000 -6.8138 3 90.5675195 89502 30332 428 32 429 a-Alanine, conf. I
84364.9870 0.1000 -5.6047 3 90.5675195 89502 30332 428 32 329 a-Alanine, conf. I
84364.9873 0.1000 -6.8138 3 90.5675195 89502 30332 528 32 329 a-Alanine, conf. I
84364.9873 0.1000 -5.6047 3 90.5675195 89502 30332 528 32 429 a-Alanine, conf. I
84403.9233 0.1827 -6.5996 3 173.8576225 89502 303372512 362611 a-Alanine, conf. I
84403.9233 0.1827 -6.5996 3 173.8576225 89502 303372513 362610 a-Alanine, conf. I
84434.5930 0.8268 -6.7256 3 244.0648297 89502 303491634 491435 a-Alanine, conf. I
84450.9562 0.1153 -6.2043 3 81.5882165 89502 303271414 261511 a-Alanine, conf. I
84461.2953 0.1158 -6.2042 3 81.5882165 89502 303271413 261512 a-Alanine, conf. I
84502.7722 0.2319 -6.7769 3 178.3469243 89502 303402021 401921 a-Alanine, conf. I
84504.0761 0.2317 -5.3125 3 178.3469243 89502 303402020 401921 a-Alanine, conf. I
84517.6825 0.2298 -5.3124 3 178.3464243 89502 303402021 401922 a-Alanine, conf. I
84518.9863 0.2296 -6.7768 3 178.3464243 89502 303402020 401922 a-Alanine, conf. I
84526.1998 0.5361 -6.9381 3 288.2029315 89502 303522230 522132 a-Alanine, conf. I
84567.8917 13.2988 -6.1815 3 835.7133543 89502 303903258 903159 a-Alanine, conf. I
84569.0800 0.6636 -5.4191 3 342.7834345 89502 303572335 572236 a-Alanine, conf. I
84583.1963 0.0647 -6.7944 3 110.0379183 89502 303301912 301812 a-Alanine, conf. I
84583.1964 0.0647 -5.4044 3 110.0379183 89502 303301911 301812 a-Alanine, conf. I
84583.2002 0.0647 -5.4044 3 110.0379183 89502 303301912 301813 a-Alanine, conf. I
84583.2004 0.0647 -6.7944 3 110.0379183 89502 303301911 301813 a-Alanine, conf. I
84612.5269 0.1142 -6.1194 3 61.7023147 89502 303241113 231212 a-Alanine, conf. I
84631.8947 0.6560 -5.4727 3 387.6977369 89502 303612339 612240 a-Alanine, conf. I
84653.7180 0.0300 -5.2247 3 24.3442105 -89502 30317 215 16 314 a-Alanine, conf. I
84655.2034 0.0055 -5.7579 3 24.3442105 89502 30317 315 16 314 a-Alanine, conf. I
84657.6041 0.0055 -5.7578 3 24.3441105 89502 30317 215 16 214 a-Alanine, conf. I
84659.0910 0.0300 -5.2247 3 24.3441105 -89502 30317 315 16 214 a-Alanine, conf. I
84669.2444 0.4678 -6.8346 3 229.7446279 89502 303462126 462026 a-Alanine, conf. I
84681.7764 0.3264 -6.9723 3 275.4594273 89502 303453411 443510 a-Alanine, conf. I
84681.7764 0.3264 -6.9723 3 275.4594273 89502 303453412 4435 9 a-Alanine, conf. I
84684.4401 0.0022 -6.5844 3 12.0591 69 89502 30311 6 5 10 5 5 a-Alanine, conf. I
84700.2203 0.4615 -5.3218 3 229.7446279 89502 303462125 462026 a-Alanine, conf. I
84725.2952 9.3370 -5.8162 3 612.3472465 89502 303772750 772651 a-Alanine, conf. I
84737.8791 10.0475 -6.3461 3 933.5925573 89502 303953560 953461 a-Alanine, conf. I
84748.9308 0.1521 -6.5821 3 50.2968135 89502 30322 913 22 616 a-Alanine, conf. I
84792.4311 0.1213 -6.2303 3 88.8974171 89502 303281514 271611 a-Alanine, conf. I
84794.5864 0.1215 -6.2303 3 88.8974171 89502 303281513 271612 a-Alanine, conf. I
84809.5580 0.0300 -5.5111 3 11.0096 63 -89502 30310 7 4 9 6 3 a-Alanine, conf. I
84814.6482 0.0019 -6.5801 3 11.0096 63 89502 30310 7 3 9 6 3 a-Alanine, conf. I
84815.2849 10.3559 -6.0364 3 750.8948513 89502 303853253 853154 a-Alanine, conf. I
84839.7517 0.0019 -6.5799 3 11.0086 63 89502 30310 7 4 9 6 4 a-Alanine, conf. I
84844.8820 0.0300 -5.5108 3 11.0086 63 -89502 30310 7 3 9 6 4 a-Alanine, conf. I
84863.7101 6.1722 -5.7039 3 542.5585435 89502 303722844 722745 a-Alanine, conf. I
84865.0841 0.0114 -5.5316 3 21.0762 93 89502 30315 511 14 410 a-Alanine, conf. I
84915.9723 0.0549 -5.4247 3 104.5333177 89502 303291910 291811 a-Alanine, conf. I
84915.9723 0.0549 -6.8074 3 104.5333177 89502 303291911 291811 a-Alanine, conf. I
84915.9733 0.0549 -5.4247 3 104.5333177 89502 303291911 291812 a-Alanine, conf. I
84915.9734 0.0549 -6.8074 3 104.5333177 89502 303291910 291812 a-Alanine, conf. I
84931.5614 0.4200 -5.3194 3 229.7359279 89502 303462126 462027 a-Alanine, conf. I
84957.0587 1.1860 -5.4549 3 373.3708363 89502 303602239 602140 a-Alanine, conf. I
84962.5373 0.4137 -6.8317 3 229.7359279 89502 303462125 462027 a-Alanine, conf. I
84971.4650 2.9581 -5.5044 3 405.3960375 89502 303622537 622438 a-Alanine, conf. I
84997.5963 0.0621 -6.5556 3 51.4526135 89502 303221012 22 715 a-Alanine, conf. I
85004.5364 0.9876 -5.3553 3 265.4059309 89502 303511735 511636 a-Alanine, conf. I
85029.0154 0.5003 -6.6596 3 193.0101267 89502 303441232 441233 a-Alanine, conf. I
85032.8719 0.4997 -5.3359 3 193.0100267 89502 303441232 441133 a-Alanine, conf. I
85053.5969 0.7549 -6.8810 3 323.8620339 89502 303562037 561838 a-Alanine, conf. I
85055.0156 0.1948 -6.6271 3 184.7069231 89502 303382612 372711 a-Alanine, conf. I
85055.0156 0.1948 -6.6271 3 184.7069231 89502 303382613 372710 a-Alanine, conf. I
85070.0545 0.4942 -5.3355 3 193.0101267 89502 303441332 441233 a-Alanine, conf. I
85073.9110 0.4936 -6.6592 3 193.0100267 89502 303441332 441133 a-Alanine, conf. I
85087.2304 0.8593 -6.9371 3 167.1005249 89502 303411130 401427 a-Alanine, conf. I
85157.9904 3.1907 -6.9248 3 370.3531363 89502 303602040 602041 a-Alanine, conf. I
85162.5068 0.9530 -6.7502 3 265.4006309 89502 303511735 511536 a-Alanine, conf. I
85200.5170 0.1278 -6.2562 3 96.5459177 89502 303291614 281711 a-Alanine, conf. I
85200.9420 0.1278 -6.2562 3 96.5459177 89502 303291613 281712 a-Alanine, conf. I
85213.2620 0.0463 -5.4490 3 99.2186171 89502 3032819 9 281810 a-Alanine, conf. I
85213.2620 0.0463 -6.8247 3 99.2186171 89502 303281910 281810 a-Alanine, conf. I
85213.2622 0.0463 -5.4490 3 99.2186171 89502 303281910 281811 a-Alanine, conf. I
85213.2623 0.0463 -6.8247 3 99.2186171 89502 3032819 9 281811 a-Alanine, conf. I
85279.3466 5.2582 -5.5878 3 463.1968405 89502 303672344 672245 a-Alanine, conf. I
85285.2269 0.1137 -5.7012 3 82.5344189 89502 30331 328 31 229 a-Alanine, conf. I
85285.2269 0.1137 -6.8978 3 82.5344189 89502 30331 328 31 329 a-Alanine, conf. I
85285.2269 0.1137 -6.8978 3 82.5344189 89502 30331 428 31 229 a-Alanine, conf. I
85285.2269 0.1137 -5.7012 3 82.5344189 89502 30331 428 31 329 a-Alanine, conf. I
85287.3815 0.7688 -6.8022 3 108.3565201 89502 303331024 321121 a-Alanine, conf. I
85289.0938 0.0106 -5.4681 3 23.9070 99 89502 30316 412 15 511 a-Alanine, conf. I
85292.1251 1.1907 -6.9746 3 174.6369255 89502 303421231 411328 a-Alanine, conf. I
85299.3571 0.2038 -6.7637 3 170.9205237 89502 303392020 391920 a-Alanine, conf. I
85299.8288 0.2037 -5.3103 3 170.9205237 89502 303392019 391920 a-Alanine, conf. I
85305.2128 0.2030 -5.3102 3 170.9203237 89502 303392020 391921 a-Alanine, conf. I
85305.6846 0.2029 -6.7637 3 170.9203237 89502 303392019 391921 a-Alanine, conf. I
85315.4959 0.1249 -6.7028 3 113.1478213 89502 30335 629 35 630 a-Alanine, conf. I
85315.4964 0.1249 -5.4687 3 113.1478213 89502 30335 629 35 530 a-Alanine, conf. I
85315.5085 0.1249 -5.4687 3 113.1478213 89502 30335 729 35 630 a-Alanine, conf. I
85315.5090 0.1249 -6.7028 3 113.1478213 89502 30335 729 35 530 a-Alanine, conf. I
85336.4771 0.0499 -6.4662 3 55.7775141 89502 303231013 23 716 a-Alanine, conf. I
85367.4481 0.3530 -7.0034 3 289.1631279 89502 303463511 453610 a-Alanine, conf. I
85367.4481 0.3530 -7.0034 3 289.1631279 89502 303463512 4536 9 a-Alanine, conf. I
85414.8537 0.0111 -5.8908 3 11.2942 69 89502 30311 5 6 10 4 7 a-Alanine, conf. I
85470.1475 7.2274 -5.6918 3 535.2342435 89502 303722547 722448 a-Alanine, conf. I
85478.2688 0.0389 -5.4780 3 94.0932165 89502 3032719 8 2718 9 a-Alanine, conf. I
85478.2688 0.0389 -6.8470 3 94.0932165 89502 3032719 9 2718 9 a-Alanine, conf. I
85478.2689 0.0389 -6.8470 3 94.0932165 89502 3032719 8 271810 a-Alanine, conf. I
85478.2689 0.0389 -5.4780 3 94.0932165 89502 3032719 9 271810 a-Alanine, conf. I
85484.3602 0.6209 -5.3488 3 278.4173309 89502 303512230 512131 a-Alanine, conf. I
85514.3835 1.3180 -7.0683 3 217.7386285 89502 303471235 461532 a-Alanine, conf. I
85556.3509 1.1365 -5.3676 3 287.5927321 89502 303531836 531737 a-Alanine, conf. I
85567.3606 1.2837 -6.9667 3 292.7647321 89502 303532034 531835 a-Alanine, conf. I
85659.9285 0.1346 -6.2820 3 104.5333183 89502 303301714 291811 a-Alanine, conf. I
85660.0084 0.1346 -6.2820 3 104.5333183 89502 303301713 291812 a-Alanine, conf. I
85674.9951 12.7801 -6.4376 3 989.6090591 89502 303983563 983464 a-Alanine, conf. I
85689.9309 0.0026 -6.5795 3 12.0136 69 89502 30311 6 6 10 5 6 a-Alanine, conf. I
85695.2442 0.5693 -6.9020 3 278.4173309 89502 303512229 512131 a-Alanine, conf. I
85711.2918 0.2080 -6.6550 3 195.8937237 89502 303392712 382811 a-Alanine, conf. I
85711.2918 0.2080 -6.6550 3 195.8937237 89502 303392713 382810 a-Alanine, conf. I
85713.8810 0.0330 -5.5125 3 89.1564159 89502 3032619 7 2618 8 a-Alanine, conf. I
85713.8810 0.0330 -6.8752 3 89.1564159 89502 3032619 7 2618 9 a-Alanine, conf. I
85713.8810 0.0330 -6.8752 3 89.1564159 89502 3032619 8 2618 8 a-Alanine, conf. I
85713.8810 0.0330 -5.5125 3 89.1564159 89502 3032619 8 2618 9 a-Alanine, conf. I
85731.0584 0.7485 -5.3988 3 332.0221339 89502 303562334 562235 a-Alanine, conf. I
85766.7433 0.3279 -6.6403 3 164.3947249 89502 303411031 411032 a-Alanine, conf. I
85767.0275 0.3279 -5.3498 3 164.3946249 89502 303411031 41 932 a-Alanine, conf. I
85770.5826 0.3274 -5.3498 3 164.3947249 89502 303411131 411032 a-Alanine, conf. I
85770.8668 0.3274 -6.6403 3 164.3946249 89502 303411131 41 932 a-Alanine, conf. I
85810.3834 4.0371 -6.5821 3 1072.7537615 89502 303A23765 A23666 a-Alanine, conf. I
85812.4367 0.2046 -6.6521 3 137.7649231 89502 30338 830 38 831 a-Alanine, conf. I
85812.4518 0.2046 -5.3911 3 137.7649231 89502 30338 830 38 731 a-Alanine, conf. I
85812.7020 0.2046 -5.3911 3 137.7649231 89502 30338 930 38 831 a-Alanine, conf. I
85812.7170 0.2046 -6.6521 3 137.7649231 89502 30338 930 38 731 a-Alanine, conf. I
85857.8717 1.0643 -6.7800 3 287.5827321 89502 303531836 531637 a-Alanine, conf. I
85922.7198 0.0287 -5.5541 3 84.4075153 89502 3032519 6 2518 7 a-Alanine, conf. I
85922.7198 0.0287 -6.9107 3 84.4075153 89502 3032519 6 2518 8 a-Alanine, conf. I
85922.7198 0.0287 -6.9107 3 84.4075153 89502 3032519 7 2518 7 a-Alanine, conf. I
85922.7198 0.0287 -5.5541 3 84.4075153 89502 3032519 7 2518 8 a-Alanine, conf. I
85959.4778 0.3972 -6.8080 3 221.1414273 89502 303452125 452025 a-Alanine, conf. I
85962.0586 0.1299 -6.0804 3 55.7567141 89502 303231013 221112 a-Alanine, conf. I
85972.4233 0.3946 -5.3092 3 221.1414273 89502 303452124 452025 a-Alanine, conf. I
86013.2422 0.1795 -6.7534 3 163.6922231 89502 303382019 381919 a-Alanine, conf. I
86013.4060 0.1795 -5.3101 3 163.6922231 89502 303382018 381919 a-Alanine, conf. I
86015.4512 0.1792 -5.3101 3 163.6921231 89502 303382019 381920 a-Alanine, conf. I
86015.6151 0.1792 -6.7533 3 163.6921231 89502 303382018 381920 a-Alanine, conf. I
86032.2021 2.0790 -7.0274 3 356.6678351 89502 303582435 582335 a-Alanine, conf. I
86043.9099 1.2795 -5.3839 3 310.6253333 89502 303551937 551838 a-Alanine, conf. I
86049.2930 0.0300 -5.6290 3 12.0136 69 -89502 30311 6 5 10 5 6 a-Alanine, conf. I
86053.7242 0.3814 -7.0351 3 303.2036285 89502 303473611 463710 a-Alanine, conf. I
86053.7242 0.3814 -7.0351 3 303.2036285 89502 303473612 4637 9 a-Alanine, conf. I
86078.2231 0.3760 -5.3082 3 221.1374273 89502 303452125 452026 a-Alanine, conf. I
86084.7954 0.6183 -6.6671 3 212.1954279 89502 303461333 461334 a-Alanine, conf. I
86086.1640 0.0300 -5.1212 3 25.6335111 -89502 30318 117 17 216 a-Alanine, conf. I
86086.1557 0.0065 -5.7078 3 25.6335111 89502 30318 217 17 216 a-Alanine, conf. I
86086.1796 0.0065 -5.7078 3 25.6335111 89502 30318 117 17 116 a-Alanine, conf. I
86086.1640 0.0300 -5.1212 3 25.6335111 -89502 30318 217 17 116 a-Alanine, conf. I
86091.1686 0.3734 -6.8068 3 221.1374273 89502 303452124 452026 a-Alanine, conf. I
86093.3867 0.6168 -5.3291 3 212.1951279 89502 303461333 461234 a-Alanine, conf. I
86107.1778 0.0265 -5.6048 3 79.8459147 89502 3032419 5 2418 6 a-Alanine, conf. I
86107.1778 0.0265 -6.9556 3 79.8459147 89502 3032419 5 2418 7 a-Alanine, conf. I
86107.1778 0.0265 -6.9556 3 79.8459147 89502 3032419 6 2418 6 a-Alanine, conf. I
86107.1778 0.0265 -5.6048 3 79.8459147 89502 3032419 6 2418 7 a-Alanine, conf. I
86109.0986 0.1355 -5.8500 3 74.7275183 89502 30330 228 30 129 a-Alanine, conf. I
86109.0986 0.1355 -7.0348 3 74.7275183 89502 30330 228 30 229 a-Alanine, conf. I
86109.0986 0.1355 -7.0348 3 74.7275183 89502 30330 328 30 129 a-Alanine, conf. I
86109.0986 0.1355 -5.8500 3 74.7275183 89502 30330 328 30 229 a-Alanine, conf. I
86116.8821 2.8743 -5.4566 3 370.3211363 89502 303602040 601941 a-Alanine, conf. I
86151.3859 0.7345 -6.8761 3 268.8614303 89502 303502229 502129 a-Alanine, conf. I
86159.0244 0.1419 -6.3079 3 112.8593189 89502 303311814 301911 a-Alanine, conf. I
86159.0387 0.1419 -6.3079 3 112.8593189 89502 303311813 301912 a-Alanine, conf. I
86168.7203 0.6043 -5.3284 3 212.1954279 89502 303461433 461334 a-Alanine, conf. I
86170.1714 6.1568 -6.6150 3 1092.5571621 89502 303A33766 A33667 a-Alanine, conf. I
86177.3116 0.6028 -6.6662 3 212.1951279 89502 303461433 461234 a-Alanine, conf. I
86183.1290 1.4193 -7.0611 3 217.7164285 89502 303471335 461432 a-Alanine, conf. I
86223.3333 0.0064 -5.7911 3 23.9070 99 89502 30316 512 15 511 a-Alanine, conf. I
86247.9551 0.7105 -5.3375 3 268.8614303 89502 303502228 502129 a-Alanine, conf. I
86269.4496 0.0262 -5.6677 3 75.4710141 89502 3032319 4 2318 5 a-Alanine, conf. I
86269.4496 0.0262 -7.0130 3 75.4710141 89502 3032319 4 2318 6 a-Alanine, conf. I
86269.4496 0.0262 -7.0130 3 75.4710141 89502 3032319 5 2318 5 a-Alanine, conf. I
86269.4496 0.0262 -5.6677 3 75.4710141 89502 3032319 5 2318 6 a-Alanine, conf. I
86274.3159 1.0509 -5.4761 3 399.3534375 89502 303622340 622241 a-Alanine, conf. I
86371.9439 0.2224 -6.6833 3 207.4178243 89502 303402812 392911 a-Alanine, conf. I
86371.9439 0.2224 -6.6833 3 207.4178243 89502 303402813 392910 a-Alanine, conf. I
86411.5578 0.0278 -5.7483 3 71.2824135 89502 3032219 3 2218 4 a-Alanine, conf. I
86411.5578 0.0278 -5.7483 3 71.2824135 89502 3032219 4 2218 5 a-Alanine, conf. I
86448.9122 0.1099 -5.5170 3 104.4169207 89502 30334 529 34 430 a-Alanine, conf. I
86448.9122 0.1099 -6.7372 3 104.4169207 89502 30334 529 34 530 a-Alanine, conf. I
86448.9136 0.1099 -6.7372 3 104.4169207 89502 30334 629 34 430 a-Alanine, conf. I
86448.9136 0.1099 -5.5170 3 104.4169207 89502 30334 629 34 530 a-Alanine, conf. I
86471.3641 12.7228 -6.0175 3 745.5590513 89502 303853055 852956 a-Alanine, conf. I
86501.3640 7.2060 -5.7607 3 587.8531453 89502 303752946 752847 a-Alanine, conf. I
86516.7674 1.4020 -5.4035 3 334.5010345 89502 303572038 571939 a-Alanine, conf. I
86531.9081 0.3606 -5.4759 3 402.2312375 89502 303622439 622340 a-Alanine, conf. I
86535.3726 0.0305 -5.8569 3 67.2794129 89502 3032119 2 2118 3 a-Alanine, conf. I
86535.3726 0.0305 -5.8569 3 67.2794129 89502 3032119 3 2118 4 a-Alanine, conf. I
86536.4539 11.5438 -6.1122 3 803.9072531 89502 303883355 883256 a-Alanine, conf. I
86560.8238 4.8728 -7.0251 3 435.2362393 89502 303652243 652244 a-Alanine, conf. I
86603.6922 1.1344 -6.8143 3 310.6067333 89502 303551937 551738 a-Alanine, conf. I
86606.7239 0.0214 -5.8230 3 22.2388 93 89502 30315 6 9 14 6 8 a-Alanine, conf. I
86642.6294 0.0340 -6.0163 3 63.4616123 89502 3032019 1 2018 2 a-Alanine, conf. I
86642.6294 0.0340 -6.0163 3 63.4616123 89502 3032019 2 2018 3 a-Alanine, conf. I
86655.3734 0.1581 -6.7457 3 156.6606225 89502 303372018 371918 a-Alanine, conf. I
86655.4278 0.1581 -5.3121 3 156.6606225 89502 303372017 371918 a-Alanine, conf. I
86656.1727 0.1580 -5.3121 3 156.6606225 89502 303372018 371919 a-Alanine, conf. I
86656.2272 0.1580 -6.7457 3 156.6606225 89502 303372017 371919 a-Alanine, conf. I
86679.0180 0.0117 -5.8023 3 21.6690 93 89502 30315 510 14 5 9 a-Alanine, conf. I
86689.2441 0.1496 -6.3339 3 121.5236195 89502 303321914 312011 a-Alanine, conf. I
86689.2465 0.1496 -6.3339 3 121.5236195 89502 303321913 312012 a-Alanine, conf. I
86691.5609 11.0345 -6.4348 3 992.4668591 89502 303983662 983563 a-Alanine, conf. I
86734.9422 0.0378 -6.3004 3 59.8286117 89502 3031919 0 1918 1 a-Alanine, conf. I
86734.9422 0.0378 -6.3004 3 59.8286117 89502 3031919 1 1918 2 a-Alanine, conf. I
86735.3462 1.8382 -5.4265 3 356.6678351 89502 303582434 582335 a-Alanine, conf. I
86740.4267 0.4119 -7.0673 3 317.5809291 89502 303483711 473810 a-Alanine, conf. I
86740.4267 0.4119 -7.0673 3 317.5809291 89502 303483712 4738 9 a-Alanine, conf. I
86751.7295 0.2850 -7.0385 3 342.7834345 89502 303572334 572236 a-Alanine, conf. I
86761.8207 1.2086 -6.9389 3 311.1634327 89502 303542332 542232 a-Alanine, conf. I
86784.2670 0.5602 -5.4592 3 390.5207369 89502 303612438 612339 a-Alanine, conf. I
86828.6693 0.0032 -6.8139 3 6.5747 57 89502 303 9 4 6 8 1 7 a-Alanine, conf. I
86847.1728 0.1606 -6.1247 3 67.1497177 89502 30329 128 29 029 a-Alanine, conf. I
86847.1728 0.1606 -6.1247 3 67.1497177 89502 30329 228 29 129 a-Alanine, conf. I
86861.1757 0.4467 -6.9980 3 332.0221339 89502 303562333 562235 a-Alanine, conf. I
86870.2263 0.5779 -5.3315 3 268.8374303 89502 303502229 502130 a-Alanine, conf. I
86884.6305 2.4112 -6.8595 3 345.2225351 89502 303581939 581940 a-Alanine, conf. I
86908.4685 0.4494 -5.4888 3 414.1193381 89502 303632440 632341 a-Alanine, conf. I
86919.7004 0.5267 -6.9467 3 337.2004345 89502 303572137 571938 a-Alanine, conf. I
86966.3953 3.6298 -5.5423 3 444.6984393 89502 303652639 652540 a-Alanine, conf. I
86966.7955 0.5545 -6.8684 3 268.8374303 89502 303502228 502130 a-Alanine, conf. I
86967.0249 0.7607 -6.6811 3 232.2385291 89502 303481434 481435 a-Alanine, conf. I
86985.4646 0.7571 -5.3284 3 232.2378291 89502 303481434 481335 a-Alanine, conf. I
87034.3086 1.1282 -5.3718 3 311.1634327 89502 303542331 542232 a-Alanine, conf. I
87036.2919 0.2381 -6.7120 3 219.2791249 89502 303412912 403011 a-Alanine, conf. I
87036.2919 0.2381 -6.7120 3 219.2791249 89502 303412913 403010 a-Alanine, conf. I
87040.3236 1.4853 -5.4258 3 359.2174357 89502 303592139 592040 a-Alanine, conf. I
87074.0292 0.3440 -6.7853 3 212.7440267 89502 303442124 442024 a-Alanine, conf. I
87079.2546 0.3430 -5.2993 3 212.7440267 89502 303442123 442024 a-Alanine, conf. I
87088.3775 0.0133 -6.6719 3 39.3809 99 89502 3031615 1 1515 0 a-Alanine, conf. I
87088.3775 0.0133 -6.6719 3 39.3809 99 89502 3031615 2 1515 1 a-Alanine, conf. I
87096.9708 0.7734 -5.3779 3 321.4610333 89502 303552333 552234 a-Alanine, conf. I
87115.5844 1.7713 -6.9992 3 251.3675297 89502 303491931 491732 a-Alanine, conf. I
87125.8645 0.3349 -5.2988 3 212.7423267 89502 303442124 442025 a-Alanine, conf. I
87131.0899 0.3339 -6.7848 3 212.7423267 89502 303442123 442025 a-Alanine, conf. I
87132.9856 0.7301 -5.3270 3 232.2385291 89502 303481534 481435 a-Alanine, conf. I
87141.1740 0.0064 -5.7796 3 23.8452 99 89502 30316 412 15 411 a-Alanine, conf. I
87151.4253 0.7265 -6.6793 3 232.2378291 89502 303481534 481335 a-Alanine, conf. I
87160.8748 0.4362 -6.9206 3 348.1207351 89502 303582138 581939 a-Alanine, conf. I
87161.3683 1.0245 -6.8527 3 136.1164225 89502 303371127 361224 a-Alanine, conf. I
87163.3712 0.1005 -6.6995 3 47.2608129 89502 303211011 21 714 a-Alanine, conf. I
87166.0232 0.7600 -6.8747 3 159.6355243 89502 303401129 391426 a-Alanine, conf. I
87166.2666 0.4122 -6.6344 3 182.2640261 89502 303431132 431133 a-Alanine, conf. I
87166.9757 0.4121 -5.3310 3 182.2640261 89502 303431132 431033 a-Alanine, conf. I
87174.9676 0.4110 -5.3309 3 182.2640261 89502 303431232 431133 a-Alanine, conf. I
87175.6767 0.4109 -6.6343 3 182.2640261 89502 303431232 431033 a-Alanine, conf. I
87188.0477 0.0106 -6.3794 3 37.1139 99 89502 3031614 2 1514 1 a-Alanine, conf. I
87188.0477 0.0106 -6.3794 3 37.1139 99 89502 3031614 3 1514 2 a-Alanine, conf. I
87191.8625 0.0096 -6.6738 3 12.4782 75 89502 30312 3 9 11 2 9 a-Alanine, conf. I
87198.1429 15.1957 -6.2579 3 891.5422561 89502 303933360 933261 a-Alanine, conf. I
87202.2411 0.1628 -6.6607 3 128.3483225 89502 30337 730 37 731 a-Alanine, conf. I
87202.2430 0.1628 -5.4151 3 128.3483225 89502 30337 730 37 631 a-Alanine, conf. I
87202.2795 0.1628 -5.4151 3 128.3483225 89502 30337 830 37 731 a-Alanine, conf. I
87202.2813 0.1628 -6.6607 3 128.3483225 89502 30337 830 37 631 a-Alanine, conf. I
87234.1424 0.1391 -6.7406 3 149.8246219 89502 303362017 361917 a-Alanine, conf. I
87234.1597 0.1391 -5.3161 3 149.8246219 89502 303362016 361917 a-Alanine, conf. I
87234.4194 0.1391 -5.3161 3 149.8246219 89502 303362017 361918 a-Alanine, conf. I
87234.4367 0.1391 -6.7406 3 149.8246219 89502 303362016 361918 a-Alanine, conf. I
87244.2495 0.1577 -6.3600 3 130.5262201 89502 303332014 322111 a-Alanine, conf. I
87244.2500 0.1577 -6.3600 3 130.5262201 89502 303332013 322112 a-Alanine, conf. I
87312.6732 0.0086 -6.2124 3 35.0068 99 89502 3031613 3 1513 2 a-Alanine, conf. I
87312.6732 0.0086 -6.2124 3 35.0068 99 89502 3031613 4 1513 3 a-Alanine, conf. I
87415.3495 2.2481 -5.4167 3 345.2048351 89502 303581939 581840 a-Alanine, conf. I
87464.4863 0.1123 -5.5843 3 95.9065201 89502 30333 429 33 330 a-Alanine, conf. I
87464.4863 0.1123 -6.7916 3 95.9065201 89502 30333 429 33 430 a-Alanine, conf. I
87464.4865 0.1123 -6.7916 3 95.9065201 89502 30333 529 33 330 a-Alanine, conf. I
87464.4865 0.1123 -5.5843 3 95.9065201 89502 30333 529 33 430 a-Alanine, conf. I
87471.5422 0.0076 -6.0971 3 33.0608 99 89502 3031612 5 1512 4 a-Alanine, conf. I
87471.5437 0.0076 -6.0971 3 33.0608 99 89502 3031612 4 1512 3 a-Alanine, conf. I
87475.6346 0.0421 -6.0674 3 54.2878141 89502 30323 915 221012 a-Alanine, conf. I
87475.7756 0.2655 -6.6308 3 154.3056243 89502 30340 931 40 932 a-Alanine, conf. I
87475.8189 0.2655 -5.3578 3 154.3056243 89502 30340 931 40 832 a-Alanine, conf. I
87476.4576 0.2654 -5.3578 3 154.3056243 89502 303401031 40 932 a-Alanine, conf. I
87476.5009 0.2654 -6.6308 3 154.3056243 89502 303401031 40 832 a-Alanine, conf. I
87528.3208 1.1209 -6.8526 3 334.4673345 89502 303572038 571839 a-Alanine, conf. I
87534.1180 0.0300 -5.0346 3 26.7379117 -89502 30319 019 18 118 a-Alanine, conf. I
87534.1537 0.0117 -5.6592 3 26.7379117 89502 30319 119 18 118 a-Alanine, conf. I
87534.1538 0.0117 -5.6592 3 26.7379117 89502 30319 019 18 018 a-Alanine, conf. I
87534.1180 0.0300 -5.0346 3 26.7379117 -89502 30319 119 18 018 a-Alanine, conf. I
87553.0956 0.7530 -5.4394 3 378.9960363 89502 303602437 602338 a-Alanine, conf. I
87643.4081 0.9365 -6.7016 3 253.1366303 89502 303501535 501536 a-Alanine, conf. I
87661.3220 0.6149 -6.9581 3 321.4610333 89502 303552332 552234 a-Alanine, conf. I
87679.0747 0.0079 -6.0103 3 31.2773 99 89502 3031611 6 1511 5 a-Alanine, conf. I
87679.1312 0.0079 -6.0103 3 31.2773 99 89502 3031611 5 1511 4 a-Alanine, conf. I
87681.6736 0.9282 -5.3335 3 253.1353303 89502 303501535 501436 a-Alanine, conf. I
87693.8381 1.5084 -5.4501 3 384.7725369 89502 303612240 612141 a-Alanine, conf. I
87703.7590 0.2551 -6.7413 3 231.4776255 89502 303423012 413111 a-Alanine, conf. I
87703.7590 0.2551 -6.7413 3 231.4776255 89502 303423013 413110 a-Alanine, conf. I
87704.4146 0.2058 -6.7799 3 131.4724219 89502 303361125 351422 a-Alanine, conf. I
87750.6840 0.0300 -5.2727 3 25.6365105 -89502 30317 314 16 413 a-Alanine, conf. I
87756.3196 0.1220 -6.7383 3 143.1830213 89502 303352016 351916 a-Alanine, conf. I
87756.3248 0.1220 -5.3224 3 143.1830213 89502 303352015 351916 a-Alanine, conf. I
87756.4112 0.1220 -5.3224 3 143.1830213 89502 303352016 351917 a-Alanine, conf. I
87756.4165 0.1220 -6.7383 3 143.1830213 89502 303352015 351917 a-Alanine, conf. I
87783.1394 0.0065 -5.7403 3 25.6365105 89502 30317 414 16 413 a-Alanine, conf. I
87816.8887 1.8537 -6.8065 3 320.9328339 89502 303561838 561839 a-Alanine, conf. I
87819.2645 0.1663 -6.3864 3 139.8668207 89502 303342114 332211 a-Alanine, conf. I
87819.2646 0.1663 -6.3864 3 139.8668207 89502 303342113 332212 a-Alanine, conf. I
87826.4302 14.3501 -6.5292 3 1050.1643609 89502 303A13665 A13566 a-Alanine, conf. I
87828.9061 0.0065 -5.7398 3 25.6339105 89502 30317 314 16 313 a-Alanine, conf. I
87830.5258 4.5913 -6.6804 3 1135.6869633 89502 303A53867 A53768 a-Alanine, conf. I
87844.4418 0.6009 -6.8413 3 259.4750297 89502 303492228 492128 a-Alanine, conf. I
87861.4010 0.0300 -5.2715 3 25.6339105 -89502 30317 414 16 313 a-Alanine, conf. I
87887.2397 0.5905 -5.3186 3 259.4750297 89502 303492227 492128 a-Alanine, conf. I
87958.6544 0.0093 -5.9414 3 29.6588 99 89502 3031610 7 1510 6 a-Alanine, conf. I
87960.0679 0.0094 -5.9413 3 29.6588 99 89502 3031610 6 1510 5 a-Alanine, conf. I
87961.5038 0.8720 -5.3308 3 253.1366303 89502 303501635 501536 a-Alanine, conf. I
87967.6670 0.1037 -5.9259 3 36.4044117 89502 30319 712 18 811 a-Alanine, conf. I
87978.0758 0.8358 -5.4974 3 426.1763387 89502 303642441 642342 a-Alanine, conf. I
87999.7693 0.8637 -6.6982 3 253.1353303 89502 303501635 501436 a-Alanine, conf. I
88055.6125 0.3015 -6.7659 3 204.5496261 89502 303432123 432023 a-Alanine, conf. I
88057.6483 0.3011 -5.2917 3 204.5496261 89502 303432122 432023 a-Alanine, conf. I
88065.2149 1.1598 -6.7288 3 274.8869315 89502 303521636 521637 a-Alanine, conf. I
88075.4135 0.0100 -5.4323 3 23.8452 99 89502 30316 512 15 411 a-Alanine, conf. I
88077.4350 0.2978 -5.2915 3 204.5489261 89502 303432123 432024 a-Alanine, conf. I
88079.4708 0.2974 -6.7657 3 204.5489261 89502 303432122 432024 a-Alanine, conf. I
88103.2190 1.7723 -5.3853 3 320.9232339 89502 303561838 561739 a-Alanine, conf. I
88126.1944 1.2612 -7.0007 3 209.2555279 89502 303461234 451531 a-Alanine, conf. I
88136.3831 6.6333 -6.7151 3 1156.0491639 89502 303A63868 A63769 a-Alanine, conf. I
88142.2031 1.1415 -5.3444 3 274.8843315 89502 303521636 521537 a-Alanine, conf. I
88154.0986 8.3394 -5.8224 3 634.9411471 89502 303783048 782949 a-Alanine, conf. I
88159.1328 1.4537 -6.7634 3 297.4866327 89502 303541737 541738 a-Alanine, conf. I
88169.5863 4.2215 -5.5254 3 435.1825393 89502 303652243 652144 a-Alanine, conf. I
88189.6731 0.5267 -5.3157 3 259.4634297 89502 303492228 492129 a-Alanine, conf. I
88226.5471 10.7167 -5.8658 3 660.3897483 89502 303802852 802753 a-Alanine, conf. I
88227.5677 0.1066 -6.7387 3 136.7349207 89502 303342015 341915 a-Alanine, conf. I
88227.5692 0.1066 -5.3310 3 136.7349207 89502 303342014 341915 a-Alanine, conf. I
88227.5966 0.1066 -5.3310 3 136.7349207 89502 303342015 341916 a-Alanine, conf. I
88227.5981 0.1066 -6.7387 3 136.7349207 89502 303342014 341916 a-Alanine, conf. I
88232.4709 0.5165 -6.8377 3 259.4634297 89502 303492227 492129 a-Alanine, conf. I
88252.3303 0.4048 -6.5438 3 78.2621171 89502 30328 920 271017 a-Alanine, conf. I
88309.6356 1.4144 -5.3615 3 297.4816327 89502 303541737 541638 a-Alanine, conf. I
88313.2940 0.0052 -5.6230 3 14.1433 75 89502 30312 6 7 11 5 6 a-Alanine, conf. I
88330.2270 12.8385 -6.1921 3 858.6911549 89502 303913457 913358 a-Alanine, conf. I
88344.4109 0.0115 -5.8847 3 28.2094 99 89502 30316 9 8 15 9 7 a-Alanine, conf. I
88368.8303 0.0118 -5.8844 3 28.2097 99 89502 30316 9 7 15 9 6 a-Alanine, conf. I
88370.6864 0.0096 -5.7844 3 24.8605 99 89502 30316 611 15 610 a-Alanine, conf. I
88373.8524 0.2736 -6.7710 3 244.0133261 89502 303433112 423211 a-Alanine, conf. I
88373.8524 0.2736 -6.7710 3 244.0133261 89502 303433113 423210 a-Alanine, conf. I
88376.3381 0.1283 -5.6808 3 87.6196195 89502 30332 329 32 230 a-Alanine, conf. I
88376.3381 0.1283 -6.8761 3 87.6196195 89502 30332 329 32 330 a-Alanine, conf. I
88376.3381 0.1283 -6.8761 3 87.6196195 89502 30332 429 32 230 a-Alanine, conf. I
88376.3381 0.1283 -5.6808 3 87.6196195 89502 30332 429 32 330 a-Alanine, conf. I
88410.6210 0.1755 -6.4131 3 149.5454213 89502 303352213 342312 a-Alanine, conf. I
88410.6210 0.1755 -6.4131 3 149.5454213 89502 303352214 342311 a-Alanine, conf. I
88440.2877 0.5113 -6.6353 3 200.9970273 89502 303451233 451234 a-Alanine, conf. I
88441.9742 0.5111 -5.3188 3 200.9969273 89502 303451233 451134 a-Alanine, conf. I
88444.7739 0.1335 -6.6811 3 119.1456219 89502 30336 630 36 631 a-Alanine, conf. I
88444.7741 0.1335 -5.4498 3 119.1456219 89502 30336 630 36 531 a-Alanine, conf. I
88444.7787 0.1335 -5.4498 3 119.1456219 89502 30336 730 36 631 a-Alanine, conf. I
88444.7789 0.1335 -6.6811 3 119.1456219 89502 30336 730 36 531 a-Alanine, conf. I
88459.2112 0.5083 -5.3186 3 200.9970273 89502 303451333 451234 a-Alanine, conf. I
88460.8976 0.5080 -6.6351 3 200.9969273 89502 303451333 451134 a-Alanine, conf. I
88549.2170 0.7547 -5.3573 3 311.1038327 89502 303542332 542233 a-Alanine, conf. I
88565.4221 1.4509 -5.4757 3 411.1650381 89502 303632341 632242 a-Alanine, conf. I
88584.9725 0.0060 -6.6629 3 12.4900 75 89502 30312 4 9 11 3 9 a-Alanine, conf. I
88592.4549 0.1382 -6.4400 3 60.2322147 89502 303241014 24 717 a-Alanine, conf. I
88608.6089 1.3846 -6.9722 3 326.3883339 89502 303562136 561937 a-Alanine, conf. I
88652.7411 0.0927 -6.7420 3 130.4792201 89502 303332014 331914 a-Alanine, conf. I
88652.7415 0.0927 -5.3422 3 130.4792201 89502 303332013 331914 a-Alanine, conf. I
88652.7498 0.0927 -5.3422 3 130.4792201 89502 303332014 331915 a-Alanine, conf. I
88652.7502 0.0927 -6.7420 3 130.4792201 89502 303332013 331915 a-Alanine, conf. I
88657.1227 1.0288 -5.3395 3 274.8869315 89502 303521736 521637 a-Alanine, conf. I
88699.2949 0.8712 -5.4177 3 367.6647357 89502 303592436 592337 a-Alanine, conf. I
88707.6356 12.2053 -6.5276 3 1053.0938609 89502 303A13764 A13665 a-Alanine, conf. I
88734.1109 1.0106 -6.7226 3 274.8843315 89502 303521736 521537 a-Alanine, conf. I
88753.3425 0.6384 -6.8206 3 152.3329237 89502 303391128 381425 a-Alanine, conf. I
88819.5442 0.9630 -6.8943 3 359.1580357 89502 303592139 591940 a-Alanine, conf. I
88821.7050 0.6776 -6.9199 3 311.1038327 89502 303542331 542233 a-Alanine, conf. I
88830.2663 0.0135 -5.8372 3 26.9346 99 89502 30316 8 9 15 8 8 a-Alanine, conf. I
88832.1798 0.4243 -6.8438 3 140.1643225 89502 303371225 361522 a-Alanine, conf. I
88835.3538 0.0179 -7.0536 3 35.6513117 89502 30319 613 18 711 a-Alanine, conf. I
88837.9073 0.0060 -6.5710 3 13.2874 75 89502 30312 5 8 11 4 8 a-Alanine, conf. I
88839.3490 0.0300 -5.3229 3 11.5414 57 -89502 303 9 9 1 8 8 0 a-Alanine, conf. I
88839.3500 0.0027 -6.4807 3 11.5414 57 89502 303 9 9 0 8 8 0 a-Alanine, conf. I
88839.3508 0.0027 -6.4807 3 11.5414 57 89502 303 9 9 1 8 8 1 a-Alanine, conf. I
88839.3490 0.0300 -5.3229 3 11.5414 57 -89502 303 9 9 0 8 8 1 a-Alanine, conf. I
88909.0779 4.4032 -5.5860 3 485.8076411 89502 303682741 682642 a-Alanine, conf. I
88930.8085 0.2661 -6.7494 3 196.5562255 89502 303422122 422022 a-Alanine, conf. I
88931.5732 0.2660 -5.2862 3 196.5562255 89502 303422121 422022 a-Alanine, conf. I
88939.6661 0.2647 -5.2861 3 196.5559255 89502 303422122 422023 a-Alanine, conf. I
88940.4309 0.2645 -6.7493 3 196.5559255 89502 303422121 422023 a-Alanine, conf. I
88993.6786 0.2129 -6.6304 3 144.4230237 89502 30339 831 39 832 a-Alanine, conf. I
88993.6844 0.2129 -5.3734 3 144.4230237 89502 30339 831 39 732 a-Alanine, conf. I
88993.7864 0.2129 -5.3734 3 144.4230237 89502 30339 931 39 832 a-Alanine, conf. I
88993.7922 0.2129 -6.6304 3 144.4230237 89502 30339 931 39 732 a-Alanine, conf. I
89015.4536 0.1852 -6.4401 3 159.5617219 89502 303362313 352412 a-Alanine, conf. I
89015.4536 0.1852 -6.4401 3 159.5617219 89502 303362314 352411 a-Alanine, conf. I
89032.9138 0.3383 -6.6179 3 171.7154255 89502 303421032 421033 a-Alanine, conf. I
89033.0309 0.3383 -5.3327 3 171.7154255 89502 303421032 42 933 a-Alanine, conf. I
89034.5743 0.3381 -5.3327 3 171.7154255 89502 303421132 421033 a-Alanine, conf. I
89034.6914 0.3380 -6.6179 3 171.7154255 89502 303421132 42 933 a-Alanine, conf. I
89036.0722 0.0801 -6.7484 3 124.4153195 89502 303322013 321913 a-Alanine, conf. I
89036.0723 0.0801 -5.3560 3 124.4153195 89502 303322012 321913 a-Alanine, conf. I
89036.0746 0.0801 -5.3560 3 124.4153195 89502 303322013 321914 a-Alanine, conf. I
89036.0747 0.0801 -6.7484 3 124.4153195 89502 303322012 321914 a-Alanine, conf. I
89046.1479 0.2937 -6.8013 3 256.8860267 89502 303443212 433311 a-Alanine, conf. I
89046.1479 0.2937 -6.8013 3 256.8860267 89502 303443213 433310 a-Alanine, conf. I
89064.9007 0.1511 -6.0182 3 50.1528135 89502 30322 913 211012 a-Alanine, conf. I
89091.9294 0.9399 -6.8935 3 300.9827321 89502 303532331 532231 a-Alanine, conf. I
89104.3620 0.0133 -5.8008 3 25.8329 99 89502 30316 710 15 7 9 a-Alanine, conf. I
89108.2059 0.0163 -5.8344 3 26.9400 99 89502 30316 8 8 15 8 7 a-Alanine, conf. I
89108.3303 2.2996 -5.4546 3 393.5754369 89502 303612536 612437 a-Alanine, conf. I
89175.5290 0.0300 -5.1513 3 27.1680111 -89502 30318 216 17 315 a-Alanine, conf. I
89176.1066 0.0065 -5.6922 3 27.1680111 89502 30318 316 17 315 a-Alanine, conf. I
89177.0170 0.0065 -5.6922 3 27.1680111 89502 30318 216 17 215 a-Alanine, conf. I
89177.5740 0.0300 -5.1513 3 27.1680111 -89502 30318 316 17 215 a-Alanine, conf. I
89196.0758 0.1520 -5.8294 3 79.5591189 89502 30331 229 31 130 a-Alanine, conf. I
89196.0758 0.1520 -7.0134 3 79.5591189 89502 30331 229 31 230 a-Alanine, conf. I
89196.0758 0.1520 -7.0134 3 79.5591189 89502 30331 329 31 130 a-Alanine, conf. I
89196.0758 0.1520 -5.8294 3 79.5591189 89502 30331 329 31 230 a-Alanine, conf. I
89219.3264 0.9030 -5.3451 3 300.9827321 89502 303532330 532231 a-Alanine, conf. I
89229.3969 1.1973 -5.3528 3 297.4866327 89502 303541837 541738 a-Alanine, conf. I
89238.4408 6.0329 -5.6173 3 505.1669423 89502 303702446 702347 a-Alanine, conf. I
89241.6843 8.2826 -5.7313 3 580.2466453 89502 303752649 752550 a-Alanine, conf. I
89257.8934 0.5082 -6.8116 3 250.3002291 89502 303482227 482127 a-Alanine, conf. I
89276.2533 0.5039 -5.3031 3 250.3002291 89502 303482226 482127 a-Alanine, conf. I
89279.1373 0.0026 -6.5086 3 14.1433 75 89502 30312 6 6 11 5 6 a-Alanine, conf. I
89325.6727 3.6727 -6.9428 3 408.0169381 89502 303632142 632143 a-Alanine, conf. I
89337.6551 0.0048 -6.8072 3 11.5728 75 89502 30312 210 11 110 a-Alanine, conf. I
89353.1086 0.3411 -6.7633 3 138.2437225 89502 303371126 361423 a-Alanine, conf. I
89379.8996 1.1583 -6.7522 3 297.4816327 89502 303541837 541638 a-Alanine, conf. I
89381.2965 0.0687 -5.3728 3 118.5422189 89502 303312011 311912 a-Alanine, conf. I
89381.2965 0.0687 -6.7582 3 118.5422189 89502 303312012 311912 a-Alanine, conf. I
89381.2971 0.0687 -6.7582 3 118.5422189 89502 303312011 311913 a-Alanine, conf. I
89381.2971 0.0687 -5.3728 3 118.5422189 89502 303312012 311913 a-Alanine, conf. I
89393.2281 1.5431 -6.9669 3 345.6771345 89502 303572434 572334 a-Alanine, conf. I
89416.8151 1.4377 -6.9872 3 209.2128279 89502 303461334 451431 a-Alanine, conf. I
89417.8836 0.4745 -5.3018 3 250.2948291 89502 303482227 482128 a-Alanine, conf. I
89436.2435 0.4702 -6.8099 3 250.2948291 89502 303482226 482128 a-Alanine, conf. I
89473.7980 0.0045 -6.8060 3 11.5734 75 89502 30312 310 11 210 a-Alanine, conf. I
89515.7756 14.5354 -6.0836 3 798.3973531 89502 303883157 883058 a-Alanine, conf. I
89559.8791 0.1208 -5.4981 3 110.1604213 89502 30335 530 35 431 a-Alanine, conf. I
89559.8791 0.1208 -6.7161 3 110.1604213 89502 30335 530 35 531 a-Alanine, conf. I
89559.8796 0.1208 -6.7161 3 110.1604213 89502 30335 630 35 431 a-Alanine, conf. I
89559.8796 0.1208 -5.4981 3 110.1604213 89502 30335 630 35 531 a-Alanine, conf. I
89567.3750 0.0300 -5.3898 3 12.0110 63 -89502 30310 8 3 9 7 2 a-Alanine, conf. I
89567.4758 0.0020 -6.4999 3 12.0110 63 89502 30310 8 2 9 7 2 a-Alanine, conf. I
89568.2774 0.0020 -6.4999 3 12.0110 63 89502 30310 8 3 9 7 3 a-Alanine, conf. I
89568.3960 0.0300 -5.3898 3 12.0110 63 -89502 30310 8 2 9 7 3 a-Alanine, conf. I
89578.4285 0.6278 -6.6426 3 220.5912285 89502 303471334 471335 a-Alanine, conf. I
89582.2741 0.6271 -5.3127 3 220.5910285 89502 303471334 471235 a-Alanine, conf. I
89586.1291 0.4961 -6.7806 3 145.1997231 89502 303381127 371424 a-Alanine, conf. I
89618.0929 0.6207 -5.3124 3 220.5912285 89502 303471434 471335 a-Alanine, conf. I
89621.9385 0.6199 -6.6422 3 220.5910285 89502 303471434 471235 a-Alanine, conf. I
89631.4888 0.1957 -6.4674 3 169.9157225 89502 303372413 362512 a-Alanine, conf. I
89631.4888 0.1957 -6.4674 3 169.9157225 89502 303372414 362511 a-Alanine, conf. I
89637.6629 0.0128 -6.4544 3 15.9678 81 89502 30313 5 8 12 4 8 a-Alanine, conf. I
89641.1838 0.3937 -5.5047 3 441.3880393 89502 303652541 652442 a-Alanine, conf. I
89691.7431 0.0586 -5.3931 3 112.8593183 89502 303302010 301911 a-Alanine, conf. I
89691.7431 0.0586 -6.7717 3 112.8593183 89502 303302011 301911 a-Alanine, conf. I
89691.7433 0.0586 -6.7717 3 112.8593183 89502 303302010 301912 a-Alanine, conf. I
89691.7433 0.0586 -5.3931 3 112.8593183 89502 303302011 301912 a-Alanine, conf. I
89694.3249 1.2502 -6.8847 3 166.9482249 89502 303411230 401327 a-Alanine, conf. I
89697.6126 1.3708 -5.3704 3 320.9328339 89502 303561938 561839 a-Alanine, conf. I
89712.1024 17.2164 -6.3399 3 949.1374579 89502 303963462 963363 a-Alanine, conf. I
89717.0800 0.2357 -6.7356 3 188.7621249 89502 303412121 412021 a-Alanine, conf. I
89717.3567 0.2357 -5.2826 3 188.7621249 89502 303412120 412021 a-Alanine, conf. I
89720.2780 0.3154 -6.8320 3 270.0958273 89502 303453312 443411 a-Alanine, conf. I
89720.2780 0.3154 -6.8320 3 270.0958273 89502 303453313 443410 a-Alanine, conf. I
89720.5440 0.2352 -5.2826 3 188.7619249 89502 303412121 412022 a-Alanine, conf. I
89720.8207 0.2351 -6.7355 3 188.7619249 89502 303412120 412022 a-Alanine, conf. I
89738.9376 1.4258 -5.3897 3 345.6771345 89502 303572433 572334 a-Alanine, conf. I
89744.2530 1.2980 -5.5020 3 438.3945393 89502 303652442 652343 a-Alanine, conf. I
89778.9946 0.0805 -6.0247 3 60.0399147 89502 303241015 231112 a-Alanine, conf. I
89809.0777 0.6047 -5.4869 3 429.1109387 89502 303642540 642441 a-Alanine, conf. I
89836.5779 9.5764 -5.8887 3 683.8177489 89502 303813150 813051 a-Alanine, conf. I
89867.4125 2.0371 -6.9938 3 282.6153315 89502 303522033 521834 a-Alanine, conf. I
89868.0998 5.4222 -6.7831 3 1200.3595651 89502 303A83969 A83870 a-Alanine, conf. I
89869.3315 15.9035 -6.6261 3 1112.4702627 89502 303A43767 A43668 a-Alanine, conf. I
89933.4175 0.1791 -6.1039 3 71.7277183 89502 30330 129 30 030 a-Alanine, conf. I
89933.4175 0.1791 -6.1039 3 71.7277183 89502 30330 229 30 130 a-Alanine, conf. I
89935.2410 0.0315 -5.5513 3 27.8082105 89502 30317 512 16 611 a-Alanine, conf. I
89970.4028 0.0498 -5.4173 3 107.3658177 89502 3032920 9 291910 a-Alanine, conf. I
89970.4028 0.0498 -6.7894 3 107.3658177 89502 3032920 9 291911 a-Alanine, conf. I
89970.4028 0.0498 -6.7894 3 107.3658177 89502 303292010 291910 a-Alanine, conf. I
89970.4028 0.0498 -5.4173 3 107.3658177 89502 303292010 291911 a-Alanine, conf. I
89983.9429 1.2901 -6.7866 3 320.9232339 89502 303561938 561739 a-Alanine, conf. I
90000.7567 0.7096 -5.3377 3 300.9524321 89502 303532331 532232 a-Alanine, conf. I
90051.2177 6.8859 -6.8199 3 1221.2799657 89502 303A93970 A93871 a-Alanine, conf. I
90081.4552 0.9166 -5.3952 3 356.5327351 89502 303582435 582336 a-Alanine, conf. I
90083.0717 0.4587 -7.0259 3 367.6647357 89502 303592435 592337 a-Alanine, conf. I
90093.9444 1.5379 -5.3916 3 345.2225351 89502 303582039 581940 a-Alanine, conf. I
90116.9440 0.0300 -5.4744 3 12.8489 69 -89502 30311 7 5 10 6 4 a-Alanine, conf. I
90124.0327 0.5759 -5.5186 3 453.8409399 89502 303662542 662443 a-Alanine, conf. I
90128.1537 0.6737 -6.8840 3 300.9524321 89502 303532330 532232 a-Alanine, conf. I
90138.9202 0.0022 -6.5090 3 12.8489 69 89502 30311 7 4 10 6 4 a-Alanine, conf. I
90203.4026 14.2620 -6.2762 3 915.2410567 89502 303943559 943460 a-Alanine, conf. I
90219.9806 0.0423 -5.4461 3 102.0610171 89502 3032820 8 2819 9 a-Alanine, conf. I
90219.9806 0.0423 -6.8121 3 102.0610171 89502 3032820 8 281910 a-Alanine, conf. I
90219.9806 0.0423 -6.8121 3 102.0610171 89502 3032820 9 2819 9 a-Alanine, conf. I
90219.9806 0.0423 -5.4461 3 102.0610171 89502 3032820 9 281910 a-Alanine, conf. I
90231.2024 0.0022 -6.5083 3 12.8451 69 89502 30311 7 5 10 6 5 a-Alanine, conf. I
90237.8502 3.3247 -5.4727 3 407.9865381 89502 303632142 632043 a-Alanine, conf. I
90253.2400 0.0300 -5.4735 3 12.8451 69 -89502 30311 7 4 10 6 5 a-Alanine, conf. I
90256.8988 0.2069 -6.4951 3 180.6073231 89502 303382513 372612 a-Alanine, conf. I
90256.8988 0.2069 -6.4951 3 180.6073231 89502 303382514 372611 a-Alanine, conf. I
90265.1190 0.4986 -6.9622 3 373.1937363 89502 303602239 602040 a-Alanine, conf. I
90350.9335 0.1711 -6.6400 3 134.7511231 89502 30338 731 38 732 a-Alanine, conf. I
90350.9342 0.1711 -5.3976 3 134.7511231 89502 30338 731 38 632 a-Alanine, conf. I
90350.9485 0.1711 -5.3976 3 134.7511231 89502 30338 831 38 732 a-Alanine, conf. I
90350.9492 0.1711 -6.6400 3 134.7511231 89502 30338 831 38 632 a-Alanine, conf. I
90395.9227 0.3388 -6.8633 3 283.6425279 89502 303463412 453511 a-Alanine, conf. I
90395.9227 0.3388 -6.8633 3 283.6425279 89502 303463413 453510 a-Alanine, conf. I
90423.8560 0.0300 -5.3547 3 26.7831105 -89502 30317 413 16 512 a-Alanine, conf. I
90426.6962 0.2091 -6.7243 3 181.1657243 89502 303402120 402020 a-Alanine, conf. I
90426.7925 0.2091 -5.2810 3 181.1657243 89502 303402119 402020 a-Alanine, conf. I
90428.0000 0.2089 -5.2810 3 181.1656243 89502 303402120 402021 a-Alanine, conf. I
90428.0963 0.2089 -6.7242 3 181.1656243 89502 303402119 402021 a-Alanine, conf. I
90442.9386 0.0364 -5.4806 3 96.9445165 89502 3032720 7 2719 8 a-Alanine, conf. I
90442.9386 0.0364 -6.8406 3 96.9445165 89502 3032720 7 2719 9 a-Alanine, conf. I
90442.9386 0.0364 -6.8406 3 96.9445165 89502 3032720 8 2719 8 a-Alanine, conf. I
90442.9386 0.0364 -5.4806 3 96.9445165 89502 3032720 8 2719 9 a-Alanine, conf. I
90466.0507 1.6824 -5.4162 3 370.3531363 89502 303602140 602041 a-Alanine, conf. I
90474.6562 0.4397 -6.7859 3 241.3329285 89502 303472226 472126 a-Alanine, conf. I
90479.1406 0.4239 -6.6124 3 189.9919267 89502 303441133 441134 a-Alanine, conf. I
90479.4398 0.4239 -5.3149 3 189.9919267 89502 303441133 441034 a-Alanine, conf. I
90482.2789 0.4379 -5.2903 3 241.3329285 89502 303472225 472126 a-Alanine, conf. I
90482.9971 0.4233 -5.3149 3 189.9919267 89502 303441233 441134 a-Alanine, conf. I
90483.2963 0.4233 -6.6123 3 189.9919267 89502 303441233 441034 a-Alanine, conf. I
90494.8182 0.1072 -6.0295 3 66.1513153 89502 303251115 241212 a-Alanine, conf. I
90523.0682 0.8448 -5.4660 3 417.0182381 89502 303632539 632440 a-Alanine, conf. I
90546.2721 0.4249 -5.2897 3 241.3305285 89502 303472226 472127 a-Alanine, conf. I
90553.8948 0.4232 -6.7851 3 241.3305285 89502 303472225 472127 a-Alanine, conf. I
90563.3003 0.1258 -5.5653 3 101.3960207 89502 30334 430 34 331 a-Alanine, conf. I
90563.3003 0.1258 -6.7710 3 101.3960207 89502 30334 430 34 431 a-Alanine, conf. I
90563.3004 0.1258 -6.7710 3 101.3960207 89502 30334 530 34 331 a-Alanine, conf. I
90563.3004 0.1258 -5.5653 3 101.3960207 89502 30334 530 34 431 a-Alanine, conf. I
90566.1270 0.7656 -6.6561 3 241.0439297 89502 303491435 491436 a-Alanine, conf. I
90574.5721 0.7639 -5.3123 3 241.0436297 89502 303491435 491336 a-Alanine, conf. I
90609.5370 0.0300 -5.0552 3 28.5050117 -89502 30319 118 18 217 a-Alanine, conf. I
90609.5509 0.0078 -5.6450 3 28.5050117 89502 30319 218 18 217 a-Alanine, conf. I
90609.5591 0.0078 -5.6450 3 28.5050117 89502 30319 118 18 117 a-Alanine, conf. I
90609.5370 0.0300 -5.0552 3 28.5050117 -89502 30319 218 18 117 a-Alanine, conf. I
90624.6634 1.3767 -6.8256 3 345.2048351 89502 303582039 581840 a-Alanine, conf. I
90641.5292 0.0325 -5.5220 3 92.0155159 89502 3032620 6 2619 7 a-Alanine, conf. I
90641.5292 0.0325 -6.8764 3 92.0155159 89502 3032620 6 2619 8 a-Alanine, conf. I
90641.5292 0.0325 -6.8764 3 92.0155159 89502 3032620 7 2619 7 a-Alanine, conf. I
90641.5292 0.0325 -5.5220 3 92.0155159 89502 3032620 7 2619 8 a-Alanine, conf. I
90646.5198 0.7496 -5.3117 3 241.0439297 89502 303491535 491436 a-Alanine, conf. I
90652.7728 0.1222 -6.0503 3 72.6112159 89502 303261215 251312 a-Alanine, conf. I
90654.9649 0.7478 -6.6552 3 241.0436297 89502 303491535 491336 a-Alanine, conf. I
90683.3061 0.0106 -6.6867 3 8.0950 63 89502 30310 3 7 9 2 8 a-Alanine, conf. I
90687.1202 0.2749 -6.6099 3 161.3696249 89502 30341 932 41 933 a-Alanine, conf. I
90687.1375 0.2749 -5.3412 3 161.3696249 89502 30341 932 41 833 a-Alanine, conf. I
90687.4044 0.2749 -5.3412 3 161.3696249 89502 303411032 41 933 a-Alanine, conf. I
90687.4217 0.2749 -6.6099 3 161.3696249 89502 303411032 41 833 a-Alanine, conf. I
90723.6052 1.1903 -6.9333 3 200.9208273 89502 303451233 441530 a-Alanine, conf. I
90726.1499 0.1311 -6.0758 3 79.4149165 89502 303271315 261412 a-Alanine, conf. I
90737.3704 0.5996 -6.9386 3 384.6710369 89502 303612240 612041 a-Alanine, conf. I
90784.5993 0.6910 -6.9844 3 356.5327351 89502 303582434 582336 a-Alanine, conf. I
90791.2991 13.6103 -6.6245 3 1115.4679627 89502 303A43866 A43767 a-Alanine, conf. I
90796.4746 0.0685 -5.7250 3 31.9631111 89502 30318 612 17 711 a-Alanine, conf. I
90813.8613 5.2842 -5.6353 3 528.7200429 89502 303712843 712744 a-Alanine, conf. I
90817.8238 0.0307 -5.5726 3 87.2736153 89502 3032520 5 2519 6 a-Alanine, conf. I
90817.8238 0.0307 -6.9216 3 87.2736153 89502 3032520 5 2519 7 a-Alanine, conf. I
90817.8238 0.0307 -6.9216 3 87.2736153 89502 3032520 6 2519 6 a-Alanine, conf. I
90817.8238 0.0307 -5.5726 3 87.2736153 89502 3032520 6 2519 7 a-Alanine, conf. I
90847.2013 0.1365 -6.0745 3 79.4148165 89502 303271314 261413 a-Alanine, conf. I
90867.9042 0.0073 -5.7225 3 26.7831105 89502 30317 513 16 512 a-Alanine, conf. I
90871.2778 0.1379 -6.1023 3 86.5604171 89502 303281415 271512 a-Alanine, conf. I
90878.1649 1.7828 -5.4434 3 396.3221375 89502 303622241 622142 a-Alanine, conf. I
90879.7659 0.0252 -5.7816 3 25.8857 99 89502 30316 7 9 15 7 8 a-Alanine, conf. I
90890.1956 0.2189 -6.5232 3 191.6364237 89502 303392613 382712 a-Alanine, conf. I
90890.1956 0.2189 -6.5232 3 191.6364237 89502 303392614 382711 a-Alanine, conf. I
90899.9008 0.1394 -6.1020 3 86.5604171 89502 303281414 271513 a-Alanine, conf. I
90950.0776 0.7635 -6.8554 3 291.0224315 89502 303522330 522230 a-Alanine, conf. I
90973.7346 0.0310 -5.6354 3 82.7181147 89502 3032420 4 2419 5 a-Alanine, conf. I
90973.7346 0.0310 -6.9792 3 82.7181147 89502 3032420 4 2419 6 a-Alanine, conf. I
90973.7346 0.0310 -6.9792 3 82.7181147 89502 3032420 5 2419 5 a-Alanine, conf. I
90973.7346 0.0310 -5.6354 3 82.7181147 89502 3032420 5 2419 6 a-Alanine, conf. I
91007.7992 0.7471 -5.3232 3 291.0224315 89502 303522329 522230 a-Alanine, conf. I
91062.7483 2.7974 -6.8749 3 381.6335369 89502 303612041 612042 a-Alanine, conf. I
91068.8677 0.1854 -6.7154 3 173.7658237 89502 303392119 392019 a-Alanine, conf. I
91068.8999 0.1854 -5.2813 3 173.7658237 89502 303392118 392019 a-Alanine, conf. I
91069.3395 0.1854 -5.2813 3 173.7658237 89502 303392119 392020 a-Alanine, conf. I
91069.3717 0.1854 -6.7154 3 173.7658237 89502 303392118 392020 a-Alanine, conf. I
91072.8012 0.3641 -6.8951 3 297.5261285 89502 303473512 463611 a-Alanine, conf. I
91072.8012 0.3641 -6.8951 3 297.5261285 89502 303473513 463610 a-Alanine, conf. I
91111.0341 0.0330 -5.7159 3 78.3487141 89502 3032320 3 2319 4 a-Alanine, conf. I
91111.0341 0.0330 -5.7159 3 78.3487141 89502 3032320 4 2319 5 a-Alanine, conf. I
91113.2896 0.1444 -6.1289 3 94.0465177 89502 303291515 281612 a-Alanine, conf. I
91119.5995 0.1448 -6.1288 3 94.0465177 89502 303291514 281613 a-Alanine, conf. I
91122.9651 0.1392 -6.0453 3 72.6107159 89502 303261214 251313 a-Alanine, conf. I
91162.7576 0.1165 -6.8766 3 43.2160123 89502 303201010 20 713 a-Alanine, conf. I
91231.3699 0.0362 -5.8244 3 74.1648135 89502 3032220 2 2219 3 a-Alanine, conf. I
91231.3699 0.0362 -5.8244 3 74.1648135 89502 3032220 3 2219 4 a-Alanine, conf. I
91311.0529 1.0480 -5.5283 3 466.4611405 89502 303672543 672444 a-Alanine, conf. I
91336.2782 0.0401 -5.9839 3 70.1659129 89502 3032120 1 2119 2 a-Alanine, conf. I
91336.2782 0.0401 -5.9839 3 70.1659129 89502 3032120 2 2119 3 a-Alanine, conf. I
91344.7367 0.0029 -6.9469 3 7.1240 57 89502 303 9 5 5 8 2 6 a-Alanine, conf. I
91358.1090 0.0074 -5.7169 3 26.7519105 89502 30317 413 16 412 a-Alanine, conf. I
91363.2654 0.0039 -6.5032 3 14.0416 75 89502 30312 6 7 11 5 7 a-Alanine, conf. I
91382.3059 0.9308 -6.6755 3 262.3524309 89502 303511536 511537 a-Alanine, conf. I
91395.4988 0.6517 -5.3196 3 291.0075315 89502 303522330 522231 a-Alanine, conf. I
91400.2331 0.9267 -5.3175 3 262.3518309 89502 303511536 511437 a-Alanine, conf. I
91409.7075 1.8148 -5.4725 3 423.1272387 89502 303642342 642243 a-Alanine, conf. I
91413.0460 2.8458 -5.4890 3 432.2936387 89502 303642638 642539 a-Alanine, conf. I
91424.9424 1.3713 -6.8685 3 370.3211363 89502 303602140 601941 a-Alanine, conf. I
91427.1937 0.0443 -6.2680 3 66.3517123 89502 3032020 0 2019 1 a-Alanine, conf. I
91427.1937 0.0443 -6.2680 3 66.3517123 89502 3032020 1 2019 2 a-Alanine, conf. I
91439.2490 0.1513 -6.1553 3 101.8725183 89502 303301615 291712 a-Alanine, conf. I
91440.5592 0.1514 -6.1553 3 101.8725183 89502 303301614 291713 a-Alanine, conf. I
91453.2203 0.6357 -6.8508 3 291.0075315 89502 303522329 522231 a-Alanine, conf. I
91456.8342 0.2025 -6.8459 3 44.9646129 89502 30321 813 21 516 a-Alanine, conf. I
91459.3023 0.0093 -5.6145 3 16.4447 81 89502 30313 6 8 12 5 7 a-Alanine, conf. I
91467.8483 0.1442 -5.6617 3 92.8554201 89502 30333 330 33 231 a-Alanine, conf. I
91467.8483 0.1442 -6.8558 3 92.8554201 89502 30333 330 33 331 a-Alanine, conf. I
91467.8483 0.1442 -6.8558 3 92.8554201 89502 30333 430 33 231 a-Alanine, conf. I
91467.8483 0.1442 -5.6617 3 92.8554201 89502 30333 430 33 331 a-Alanine, conf. I
91493.5105 0.0092 -5.7354 3 24.5603 99 89502 30316 511 15 510 a-Alanine, conf. I
91500.3195 0.0435 -6.0569 3 58.6241147 89502 30324 916 231013 a-Alanine, conf. I
91530.1553 0.2319 -6.5517 3 203.0030243 89502 303402713 392812 a-Alanine, conf. I
91530.1553 0.2319 -6.5517 3 203.0030243 89502 303402714 392811 a-Alanine, conf. I
91540.2763 0.8960 -5.3162 3 262.3524309 89502 303511636 511537 a-Alanine, conf. I
91540.2795 0.7099 -6.6461 3 102.1683195 89502 303321023 311120 a-Alanine, conf. I
91544.8706 0.3858 -6.7634 3 232.5699279 89502 303462225 462125 a-Alanine, conf. I
91547.9322 0.3852 -5.2798 3 232.5699279 89502 303462224 462125 a-Alanine, conf. I
91558.2035 0.8919 -6.6739 3 262.3518309 89502 303511636 511437 a-Alanine, conf. I
91562.6286 10.9228 -5.9594 3 734.4783507 89502 303843252 843153 a-Alanine, conf. I
91567.4787 2.6174 -5.4293 3 381.6166369 89502 303612041 611942 a-Alanine, conf. I
91570.1599 0.1431 -6.6610 3 125.2938225 89502 30337 631 37 632 a-Alanine, conf. I
91570.1600 0.1431 -5.4323 3 125.2938225 89502 30337 631 37 532 a-Alanine, conf. I
91570.1617 0.1431 -5.4323 3 125.2938225 89502 30337 731 37 632 a-Alanine, conf. I
91570.1618 0.1431 -6.6610 3 125.2938225 89502 30337 731 37 532 a-Alanine, conf. I
91575.8465 0.3796 -5.2795 3 232.5689279 89502 303462225 462126 a-Alanine, conf. I
91575.8776 0.9064 -5.3727 3 345.6043345 89502 303572434 572335 a-Alanine, conf. I
91578.9082 0.3789 -6.7631 3 232.5689279 89502 303462224 462126 a-Alanine, conf. I
91635.5480 12.2226 -5.9217 3 710.2198501 89502 303832954 832855 a-Alanine, conf. I
91647.3716 1.0031 -5.4430 3 405.1176375 89502 303622538 622439 a-Alanine, conf. I
91650.9016 0.1642 -6.7090 3 166.5613231 89502 303382118 382018 a-Alanine, conf. I
91650.9119 0.1642 -5.2836 3 166.5613231 89502 303382117 382018 a-Alanine, conf. I
91651.0654 0.1642 -5.2836 3 166.5613231 89502 303382118 382019 a-Alanine, conf. I
91651.0757 0.1642 -6.7090 3 166.5613231 89502 303382117 382019 a-Alanine, conf. I
91671.8968 1.4705 -6.9851 3 361.8244357 89502 303592238 592039 a-Alanine, conf. I
91743.7746 0.0178 -6.5164 3 15.3866 81 89502 30313 4 9 12 3 9 a-Alanine, conf. I
91750.6661 0.3912 -6.9275 3 311.7466291 89502 303483612 473711 a-Alanine, conf. I
91750.6661 0.3912 -6.9275 3 311.7466291 89502 303483613 473710 a-Alanine, conf. I
91759.5468 0.7830 -6.8876 3 156.3162237 89502 303391326 381623 a-Alanine, conf. I
91796.5618 17.3906 -6.7283 3 1176.5208645 89502 303A73869 A73770 a-Alanine, conf. I
91802.1350 0.0300 -5.3388 3 26.7519105 -89502 30317 513 16 412 a-Alanine, conf. I
91808.4901 0.5239 -6.6136 3 209.1327279 89502 303461234 461235 a-Alanine, conf. I
91809.2186 0.5238 -5.3037 3 209.1327279 89502 303461234 461135 a-Alanine, conf. I
91817.0814 0.5224 -5.3036 3 209.1327279 89502 303461334 461235 a-Alanine, conf. I
91817.8099 0.5223 -6.6135 3 209.1327279 89502 303461334 461135 a-Alanine, conf. I
91831.1585 0.1587 -6.1818 3 110.0379189 89502 303311715 301812 a-Alanine, conf. I
91831.4167 0.1587 -6.1818 3 110.0379189 89502 303311714 301813 a-Alanine, conf. I
91919.7433 6.8310 -6.9295 3 1288.2428675 89502 303B24072 B23973 a-Alanine, conf. I
91921.5871 0.7940 -6.9443 3 345.6043345 89502 303572433 572335 a-Alanine, conf. I
91931.9191 6.6119 -6.8901 3 1266.7651669 89502 303B14071 B13972 a-Alanine, conf. I
91941.8836 1.9511 -7.0013 3 382.0041363 89502 303602536 602436 a-Alanine, conf. I
91957.7876 1.1912 -6.9177 3 334.9195339 89502 303562433 562333 a-Alanine, conf. I
91995.7147 1.1331 -6.7011 3 284.5140321 89502 303531637 531638 a-Alanine, conf. I
92020.5783 2.1717 -6.8186 3 356.0886357 89502 303591940 591941 a-Alanine, conf. I
92032.6086 1.1236 -5.3280 3 284.5128321 89502 303531637 531538 a-Alanine, conf. I
92056.7772 0.0138 -5.5991 3 29.6578123 89502 30320 020 19 019 a-Alanine, conf. I
92056.7700 0.0300 -4.9736 3 29.6578123 -89502 30320 020 19 119 a-Alanine, conf. I
92056.7700 0.0300 -4.9736 3 29.6578123 -89502 30320 120 19 019 a-Alanine, conf. I
92056.7772 0.0138 -5.5991 3 29.6578123 89502 30320 120 19 119 a-Alanine, conf. I
92094.9515 19.3518 -6.4275 3 1008.4941597 89502 303993564 993465 a-Alanine, conf. I
92122.5298 1.1362 -5.3598 3 334.9195339 89502 303562432 562333 a-Alanine, conf. I
92127.0219 0.2964 -6.3629 3 73.0143165 89502 30327 919 261016 a-Alanine, conf. I
92130.9827 0.1540 -6.0107 3 66.1489153 89502 303251114 241213 a-Alanine, conf. I
92150.7759 1.7540 -5.5030 3 450.7671399 89502 303662443 662344 a-Alanine, conf. I
92163.0403 15.8410 -6.3642 3 973.5515585 89502 303973661 973562 a-Alanine, conf. I
92165.3949 0.2217 -6.6105 3 151.2313243 89502 30340 832 40 833 a-Alanine, conf. I
92165.3971 0.2217 -5.3571 3 151.2313243 89502 30340 832 40 733 a-Alanine, conf. I
92165.4382 0.2217 -5.3571 3 151.2313243 89502 30340 932 40 833 a-Alanine, conf. I
92165.4404 0.2217 -6.6105 3 151.2313243 89502 30340 932 40 733 a-Alanine, conf. I
92175.7609 0.2459 -6.5806 3 214.7069249 89502 303412813 402912 a-Alanine, conf. I
92175.7609 0.2459 -6.5806 3 214.7069249 89502 303412814 402911 a-Alanine, conf. I
92178.8352 0.1451 -6.7051 3 159.5511225 89502 303372117 372017 a-Alanine, conf. I
92178.8384 0.1451 -5.2879 3 159.5511225 89502 303372116 372017 a-Alanine, conf. I
92178.8897 0.1451 -5.2879 3 159.5511225 89502 303372117 372018 a-Alanine, conf. I
92178.8928 0.1451 -6.7051 3 159.5511225 89502 303372116 372018 a-Alanine, conf. I
92189.8452 4.8380 -5.5517 3 475.9057411 89502 303682345 682246 a-Alanine, conf. I
92274.0832 0.1665 -6.2082 3 118.5422195 89502 303321815 311912 a-Alanine, conf. I
92274.1318 0.1665 -6.2082 3 118.5422195 89502 303321814 311913 a-Alanine, conf. I
92279.3000 0.3491 -6.5976 3 179.1859261 89502 303431033 431034 a-Alanine, conf. I
92279.3478 0.3491 -5.3173 3 179.1858261 89502 303431033 43 934 a-Alanine, conf. I
92280.0091 0.3490 -5.3173 3 179.1859261 89502 303431133 431034 a-Alanine, conf. I
92280.0569 0.3490 -6.5976 3 179.1858261 89502 303431133 43 934 a-Alanine, conf. I
92284.1533 0.1699 -5.8102 3 84.5413195 89502 30332 230 32 131 a-Alanine, conf. I
92284.1533 0.1699 -6.9933 3 84.5413195 89502 30332 230 32 231 a-Alanine, conf. I
92284.1533 0.1699 -6.9933 3 84.5413195 89502 30332 330 32 131 a-Alanine, conf. I
92284.1533 0.1699 -5.8102 3 84.5413195 89502 30332 330 32 231 a-Alanine, conf. I
92288.2870 0.0300 -5.1937 3 28.5646111 -89502 30318 315 17 414 a-Alanine, conf. I
92293.1700 2.0814 -5.3940 3 356.0795357 89502 303591940 591841 a-Alanine, conf. I
92297.2354 1.0605 -5.3256 3 284.5140321 89502 303531737 531638 a-Alanine, conf. I
92301.4319 0.0075 -5.6760 3 28.5646111 89502 30318 415 17 414 a-Alanine, conf. I
92320.7799 0.0075 -5.6758 3 28.5636111 89502 30318 315 17 314 a-Alanine, conf. I
92329.1086 0.0075 -5.6172 3 14.0416 75 89502 30312 6 6 11 5 7 a-Alanine, conf. I
92333.9720 0.0300 -5.1932 3 28.5636111 -89502 30318 415 17 314 a-Alanine, conf. I
92334.1294 1.0511 -6.6980 3 284.5128321 89502 303531737 531538 a-Alanine, conf. I
92341.1640 0.0175 -6.3006 3 10.5755 69 89502 30311 4 7 10 3 8 a-Alanine, conf. I
92359.3792 1.3881 -6.7330 3 307.5259333 89502 303551738 551739 a-Alanine, conf. I
92373.1133 1.7839 -5.4143 3 382.0041363 89502 303602535 602436 a-Alanine, conf. I
92402.6205 1.7211 -6.7718 3 331.3851345 89502 303571839 571840 a-Alanine, conf. I
92429.2983 0.4203 -6.9604 3 326.3038297 89502 303493712 483811 a-Alanine, conf. I
92429.2983 0.4203 -6.9604 3 326.3038297 89502 303493713 483810 a-Alanine, conf. I
92433.1601 1.3674 -5.3441 3 307.5234333 89502 303551738 551639 a-Alanine, conf. I
92445.2033 16.5001 -6.1556 3 853.0112549 89502 303913259 913160 a-Alanine, conf. I
92492.0357 0.6427 -6.8226 3 281.2758309 89502 303512329 512229 a-Alanine, conf. I
92499.5094 0.3415 -6.7438 3 224.0091273 89502 303452224 452124 a-Alanine, conf. I
92500.6982 0.3413 -5.2713 3 224.0091273 89502 303452223 452124 a-Alanine, conf. I
92512.4548 0.3390 -5.2712 3 224.0087273 89502 303452224 452125 a-Alanine, conf. I
92513.6437 0.3388 -6.7437 3 224.0087273 89502 303452223 452125 a-Alanine, conf. I
92517.3894 0.6357 -5.3049 3 281.2758309 89502 303512328 512229 a-Alanine, conf. I
92522.7196 0.0161 -6.6298 3 44.7094105 89502 3031716 1 1616 0 a-Alanine, conf. I
92522.7196 0.0161 -6.6298 3 44.7094105 89502 3031716 2 1616 1 a-Alanine, conf. I
92546.2583 1.6772 -5.3659 3 331.3803345 89502 303571839 571740 a-Alanine, conf. I
92566.8183 1.2051 -6.9146 3 396.2657375 89502 303622241 622042 a-Alanine, conf. I
92620.2017 0.0130 -6.3362 3 42.2858105 89502 3031715 2 1615 1 a-Alanine, conf. I
92620.2017 0.0130 -6.3362 3 42.2858105 89502 3031715 3 1615 2 a-Alanine, conf. I
92625.4020 2.3071 -6.9966 3 315.6794333 89502 303552135 551936 a-Alanine, conf. I
92657.7992 0.1278 -6.7036 3 152.7344219 89502 303362116 362016 a-Alanine, conf. I
92657.8001 0.1278 -5.2943 3 152.7344219 89502 303362115 362016 a-Alanine, conf. I
92657.8165 0.1278 -5.2943 3 152.7344219 89502 303362116 362017 a-Alanine, conf. I
92657.8175 0.1278 -6.7036 3 152.7344219 89502 303362115 362017 a-Alanine, conf. I
92669.0170 0.1329 -5.4805 3 116.0545219 89502 30336 531 36 432 a-Alanine, conf. I
92669.0170 0.1329 -6.6966 3 116.0545219 89502 30336 531 36 532 a-Alanine, conf. I
92669.0171 0.1329 -6.6966 3 116.0545219 89502 30336 631 36 432 a-Alanine, conf. I
92669.0171 0.1329 -5.4805 3 116.0545219 89502 30336 631 36 532 a-Alanine, conf. I
92695.7132 6.2778 -5.6898 3 573.4318447 89502 303742945 742846 a-Alanine, conf. I
92702.9197 0.5906 -5.3032 3 281.2688309 89502 303512329 512230 a-Alanine, conf. I
92728.2734 0.5837 -6.8205 3 281.2688309 89502 303512328 512230 a-Alanine, conf. I
92740.2825 0.0106 -6.1680 3 40.0221105 89502 3031714 3 1614 2 a-Alanine, conf. I
92740.2825 0.0106 -6.1680 3 40.0221105 89502 3031714 4 1614 3 a-Alanine, conf. I
92742.1102 0.4404 -5.5395 3 482.3496411 89502 303682643 682544 a-Alanine, conf. I
92756.8341 0.1748 -6.2348 3 127.3852201 89502 303331915 322012 a-Alanine, conf. I
92756.8429 0.1748 -6.2348 3 127.3852201 89502 303331914 322013 a-Alanine, conf. I
92825.2938 0.6461 -5.5207 3 469.5070405 89502 303672642 672543 a-Alanine, conf. I
92826.1596 0.2611 -6.6100 3 226.7480255 89502 303422913 413012 a-Alanine, conf. I
92826.1596 0.2611 -6.6100 3 226.7480255 89502 303422914 413011 a-Alanine, conf. I
92838.9038 1.2812 -6.9746 3 173.3488249 89502 303411427 401724 a-Alanine, conf. I
92848.1603 0.0755 -6.4073 3 66.1250153 89502 303251114 25 817 a-Alanine, conf. I
92867.2373 0.2428 -6.6405 3 54.4633141 89502 30323 914 23 617 a-Alanine, conf. I
92890.6480 0.0093 -6.0516 3 37.9192105 89502 3031713 5 1613 4 a-Alanine, conf. I
92890.6483 0.0093 -6.0516 3 37.9192105 89502 3031713 4 1613 3 a-Alanine, conf. I
92919.1615 1.2418 -5.3396 3 307.5259333 89502 303551838 551739 a-Alanine, conf. I
92929.5359 9.4351 -5.7773 3 627.0536471 89502 303782751 782652 a-Alanine, conf. I
92940.8279 0.0234 -5.7284 3 25.1277 99 89502 30316 610 15 6 9 a-Alanine, conf. I
92950.5433 15.3073 -6.7255 3 1179.5828645 89502 303A73968 A73869 a-Alanine, conf. I
92992.9424 1.2212 -6.7273 3 307.5234333 89502 303551838 551639 a-Alanine, conf. I
93013.2186 0.6403 -6.6210 3 229.1353291 89502 303481335 481336 a-Alanine, conf. I
93014.9176 0.6400 -5.2983 3 229.1352291 89502 303481335 481236 a-Alanine, conf. I
93021.1827 0.1989 -6.0845 3 76.4563189 89502 30331 130 31 031 a-Alanine, conf. I
93021.1827 0.1989 -6.0845 3 76.4563189 89502 30331 230 31 131 a-Alanine, conf. I
93031.6583 0.6367 -5.2982 3 229.1353291 89502 303481435 481336 a-Alanine, conf. I
93033.3573 0.6364 -6.6208 3 229.1352291 89502 303481435 481236 a-Alanine, conf. I
93039.1380 1.0745 -5.4189 3 393.4155369 89502 303612537 612438 a-Alanine, conf. I
93082.8147 0.0093 -5.9636 3 35.9785105 89502 3031712 6 1612 5 a-Alanine, conf. I
93082.8232 0.0093 -5.9636 3 35.9785105 89502 3031712 5 1612 4 a-Alanine, conf. I
93087.9048 0.8608 -5.3510 3 334.8818339 89502 303562433 562334 a-Alanine, conf. I
93092.2387 0.1120 -6.7048 3 146.1103213 89502 303352115 352015 a-Alanine, conf. I
93092.2390 0.1120 -5.3030 3 146.1103213 89502 303352114 352015 a-Alanine, conf. I
93092.2440 0.1120 -5.3030 3 146.1103213 89502 303352115 352016 a-Alanine, conf. I
93092.2442 0.1120 -6.7048 3 146.1103213 89502 303352114 352016 a-Alanine, conf. I
93108.5025 0.4514 -6.9939 3 341.1977303 89502 303503812 493911 a-Alanine, conf. I
93108.5025 0.4514 -6.9939 3 341.1977303 89502 303503813 493910 a-Alanine, conf. I
93122.5624 6.8804 -5.6535 3 548.9377441 89502 303732548 732449 a-Alanine, conf. I
93137.8333 1.4845 -6.9084 3 200.8409273 89502 303451333 441430 a-Alanine, conf. I
93194.5530 1.5822 -5.5341 3 479.2410411 89502 303682544 682445 a-Alanine, conf. I
93214.0263 1.0997 -6.8674 3 192.7371267 89502 303441232 431529 a-Alanine, conf. I
93252.6471 0.8074 -6.9062 3 334.8818339 89502 303562432 562334 a-Alanine, conf. I
93271.1409 0.1836 -6.2616 3 136.5666207 89502 303342015 332112 a-Alanine, conf. I
93271.1424 0.1836 -6.2616 3 136.5666207 89502 303342014 332113 a-Alanine, conf. I
93291.3922 1.0336 -6.7274 3 129.2245219 89502 303361126 351223 a-Alanine, conf. I
93328.5019 0.7315 -5.5544 3 495.3665417 89502 303692644 692545 a-Alanine, conf. I
93334.8798 0.0105 -5.8936 3 34.2019105 89502 3031711 7 1611 6 a-Alanine, conf. I
93335.1237 0.0105 -5.8936 3 34.2019105 89502 3031711 6 1611 5 a-Alanine, conf. I
93345.2795 12.3863 -6.0344 3 786.9179525 89502 303873354 873255 a-Alanine, conf. I
93358.6081 0.3038 -6.7269 3 215.6486267 89502 303442223 442123 a-Alanine, conf. I
93359.0540 0.3037 -5.2647 3 215.6486267 89502 303442222 442123 a-Alanine, conf. I
93363.8335 0.3028 -5.2646 3 215.6485267 89502 303442223 442124 a-Alanine, conf. I
93364.2794 0.3027 -6.7268 3 215.6485267 89502 303442222 442124 a-Alanine, conf. I
93404.4231 1.6282 -7.0089 3 246.8813303 89502 303501337 491634 a-Alanine, conf. I
93414.1740 1.4364 -5.3580 3 331.3851345 89502 303571939 571840 a-Alanine, conf. I
93418.5901 0.0100 -5.7108 3 27.8082105 89502 30317 612 16 611 a-Alanine, conf. I
93425.9998 4.2039 -6.9682 3 447.4897399 89502 303662244 662245 a-Alanine, conf. I
93480.6310 0.2775 -6.6399 3 239.1264261 89502 303433013 423112 a-Alanine, conf. I
93480.6310 0.2775 -6.6399 3 239.1264261 89502 303433014 423111 a-Alanine, conf. I
93481.4764 0.9383 -5.4987 3 456.8471399 89502 303662641 662542 a-Alanine, conf. I
93486.0581 0.0977 -6.7088 3 139.6778207 89502 303342114 342014 a-Alanine, conf. I
93486.0582 0.0977 -5.3141 3 139.6778207 89502 303342113 342014 a-Alanine, conf. I
93486.0596 0.0977 -5.3141 3 139.6778207 89502 303342114 342015 a-Alanine, conf. I
93486.0597 0.0977 -6.7088 3 139.6778207 89502 303342113 342015 a-Alanine, conf. I
93493.8104 0.1801 -6.6209 3 141.3044237 89502 30339 732 39 733 a-Alanine, conf. I
93493.8106 0.1801 -5.3814 3 141.3044237 89502 30339 732 39 633 a-Alanine, conf. I
93493.8162 0.1801 -5.3814 3 141.3044237 89502 30339 832 39 733 a-Alanine, conf. I
93493.8165 0.1801 -6.6209 3 141.3044237 89502 30339 832 39 633 a-Alanine, conf. I
93557.8118 1.3927 -6.7616 3 331.3803345 89502 303571939 571740 a-Alanine, conf. I
93604.2847 18.7476 -6.8356 3 1242.3100663 89502 303B03971 B03872 a-Alanine, conf. I
93619.2561 0.4695 -6.9847 3 410.9965381 89502 303632341 632142 a-Alanine, conf. I
93659.4241 3.4852 -5.5295 3 472.8192405 89502 303672740 672641 a-Alanine, conf. I
93661.7126 0.1406 -5.5477 3 107.0362213 89502 30335 431 35 332 a-Alanine, conf. I
93661.7126 0.1406 -6.7519 3 107.0362213 89502 30335 431 35 432 a-Alanine, conf. I
93661.7126 0.1406 -6.7519 3 107.0362213 89502 30335 531 35 332 a-Alanine, conf. I
93661.7126 0.1406 -5.5477 3 107.0362213 89502 30335 531 35 432 a-Alanine, conf. I
93675.8130 0.0127 -5.8360 3 32.5928105 89502 3031710 8 1610 7 a-Alanine, conf. I
93680.7737 0.0128 -5.8359 3 32.5929105 89502 3031710 7 1610 6 a-Alanine, conf. I
93697.0208 0.0075 -5.0830 3 30.1426117 89502 30319 217 18 316 a-Alanine, conf. I
93697.2151 0.0075 -5.6307 3 30.1426117 89502 30319 317 18 316 a-Alanine, conf. I
93697.5543 0.0075 -5.6307 3 30.1426117 89502 30319 217 18 216 a-Alanine, conf. I
93697.7486 0.0075 -5.0830 3 30.1426117 89502 30319 317 18 216 a-Alanine, conf. I
93705.2121 0.0032 -6.4310 3 16.4447 81 89502 30313 6 7 12 5 7 a-Alanine, conf. I
93766.2411 0.4362 -6.5926 3 197.8692273 89502 303451134 451135 a-Alanine, conf. I
93766.3660 0.4362 -5.3006 3 197.8692273 89502 303451134 451035 a-Alanine, conf. I
93767.9276 0.4359 -5.3006 3 197.8692273 89502 303451234 451135 a-Alanine, conf. I
93768.0525 0.4359 -6.5926 3 197.8692273 89502 303451234 451035 a-Alanine, conf. I
93799.7989 1.6369 -5.3805 3 356.0886357 89502 303592040 591941 a-Alanine, conf. I
93805.3465 0.1497 -5.9022 3 44.8863129 89502 30321 813 20 912 a-Alanine, conf. I
93810.8146 0.1928 -6.2886 3 146.0863213 89502 303352115 342212 a-Alanine, conf. I
93810.8148 0.1928 -6.2886 3 146.0863213 89502 303352114 342213 a-Alanine, conf. I
93814.0317 0.5549 -6.7940 3 271.7383303 89502 303502328 502228 a-Alanine, conf. I
93814.0886 0.0941 -6.3429 3 71.0126159 89502 303261115 26 818 a-Alanine, conf. I
93824.8281 0.5520 -5.2894 3 271.7383303 89502 303502327 502228 a-Alanine, conf. I
93828.4283 0.0145 -5.5970 3 18.9577 87 89502 30314 6 9 13 5 8 a-Alanine, conf. I
93842.4894 0.0965 -6.1022 3 63.1873153 89502 30325 917 241014 a-Alanine, conf. I
93842.7227 0.0847 -5.3279 3 133.4364201 89502 303332112 332013 a-Alanine, conf. I
93842.7227 0.0847 -6.7157 3 133.4364201 89502 303332113 332013 a-Alanine, conf. I
93842.7231 0.0847 -6.7157 3 133.4364201 89502 303332112 332014 a-Alanine, conf. I
93842.7231 0.0847 -5.3279 3 133.4364201 89502 303332113 332014 a-Alanine, conf. I
93885.7508 0.2847 -6.5908 3 168.5837255 89502 30342 933 42 934 a-Alanine, conf. I
93885.7576 0.2847 -5.3262 3 168.5837255 89502 30342 933 42 834 a-Alanine, conf. I
93885.8679 0.2847 -5.3262 3 168.5837255 89502 303421033 42 934 a-Alanine, conf. I
93885.8747 0.2847 -6.5908 3 168.5837255 89502 303421033 42 834 a-Alanine, conf. I
93910.6009 0.5315 -5.2886 3 271.7351303 89502 303502328 502229 a-Alanine, conf. I
93921.3973 0.5286 -6.7931 3 271.7351303 89502 303502327 502229 a-Alanine, conf. I
93989.7813 0.9606 -6.8764 3 324.3851333 89502 303552432 552332 a-Alanine, conf. I
94029.0515 0.2445 -6.7365 3 147.1206231 89502 303381226 371523 a-Alanine, conf. I
94035.2491 1.7434 -7.0027 3 246.8603303 89502 303501437 491534 a-Alanine, conf. I
94035.7557 8.2544 -7.0012 3 1334.8971687 89502 303B44173 B44074 a-Alanine, conf. I
94065.9467 0.9357 -5.3351 3 324.3851333 89502 303552431 552332 a-Alanine, conf. I
94072.3906 1.5473 -6.8006 3 356.0795357 89502 303592040 591841 a-Alanine, conf. I
94082.9534 0.7762 -6.6343 3 249.9970303 89502 303501436 501437 a-Alanine, conf. I
94086.6278 0.1873 -6.2079 3 67.9848159 89502 30326 918 251015 a-Alanine, conf. I
94086.7685 0.7753 -5.2986 3 249.9969303 89502 303501436 501337 a-Alanine, conf. I
94106.2807 1.8308 -5.4065 3 381.6335369 89502 303612141 612042 a-Alanine, conf. I
94121.2188 0.7679 -5.2983 3 249.9970303 89502 303501536 501437 a-Alanine, conf. I
94125.0339 0.7670 -6.6339 3 249.9969303 89502 303501536 501337 a-Alanine, conf. I
94135.9609 0.2709 -6.7123 3 207.4869261 89502 303432222 432122 a-Alanine, conf. I
94136.1222 0.2709 -5.2599 3 207.4869261 89502 303432221 432122 a-Alanine, conf. I
94137.9967 0.2705 -5.2599 3 207.4869261 89502 303432222 432123 a-Alanine, conf. I
94138.1580 0.2705 -6.7123 3 207.4869261 89502 303432221 432123 a-Alanine, conf. I
94138.1673 0.0154 -5.7872 3 31.1562105 89502 30317 9 9 16 9 8 a-Alanine, conf. I
94138.5610 0.2953 -6.6703 3 251.8419267 89502 303443113 433212 a-Alanine, conf. I
94138.5610 0.2953 -6.6703 3 251.8419267 89502 303443114 433211 a-Alanine, conf. I
94165.3344 0.0730 -5.3446 3 127.3852195 89502 303322111 322012 a-Alanine, conf. I
94165.3344 0.0730 -6.7259 3 127.3852195 89502 303322112 322012 a-Alanine, conf. I
94165.3345 0.0730 -6.7259 3 127.3852195 89502 303322111 322013 a-Alanine, conf. I
94165.3345 0.0730 -5.3446 3 127.3852195 89502 303322112 322013 a-Alanine, conf. I
94208.2157 0.0163 -5.7865 3 31.1574105 89502 30317 9 8 16 9 7 a-Alanine, conf. I
94216.9480 17.6072 -6.4562 3 1033.6169603 89502 303A03763 A03664 a-Alanine, conf. I
94274.2740 0.0024 -5.2833 3 13.1773 63 89502 30310 9 2 9 8 1 a-Alanine, conf. I
94274.2757 0.0024 -6.4216 3 13.1773 63 89502 30310 9 1 9 8 1 a-Alanine, conf. I
94274.2886 0.0024 -6.4216 3 13.1773 63 89502 30310 9 2 9 8 2 a-Alanine, conf. I
94274.2903 0.0024 -5.2833 3 13.1773 63 89502 30310 9 1 9 8 2 a-Alanine, conf. I
94297.2600 3.8222 -5.4959 3 447.4606399 89502 303662244 662145 a-Alanine, conf. I
94305.6941 0.7996 -6.9633 3 423.0306387 89502 303642342 642143 a-Alanine, conf. I
94333.0674 21.5874 -6.5208 3 1069.6071615 89502 303A23666 A23567 a-Alanine, conf. I
94371.1392 0.2024 -6.3159 3 155.9440219 89502 303362214 352313 a-Alanine, conf. I
94371.1392 0.2024 -6.3159 3 155.9440219 89502 303362215 352312 a-Alanine, conf. I
94379.5068 1.9997 -5.4357 3 408.0169381 89502 303632242 632143 a-Alanine, conf. I
94456.6898 0.0625 -5.3648 3 121.5236189 89502 303312110 312011 a-Alanine, conf. I
94456.6898 0.0625 -6.7398 3 121.5236189 89502 303312110 312012 a-Alanine, conf. I
94456.6898 0.0625 -6.7398 3 121.5236189 89502 303312111 312011 a-Alanine, conf. I
94456.6898 0.0625 -5.3648 3 121.5236189 89502 303312111 312012 a-Alanine, conf. I
94554.1325 0.7968 -5.3307 3 324.3663333 89502 303552432 552333 a-Alanine, conf. I
94559.9276 0.1613 -5.6440 3 98.2419207 89502 30334 331 34 232 a-Alanine, conf. I
94559.9276 0.1613 -6.8369 3 98.2419207 89502 30334 331 34 332 a-Alanine, conf. I
94559.9276 0.1613 -6.8369 3 98.2419207 89502 30334 431 34 232 a-Alanine, conf. I
94559.9276 0.1613 -5.6440 3 98.2419207 89502 30334 431 34 332 a-Alanine, conf. I
94569.5247 1.0769 -5.3946 3 381.9165363 89502 303602536 602437 a-Alanine, conf. I
94569.9593 7.3886 -5.7495 3 619.9387465 89502 303773047 772948 a-Alanine, conf. I
94578.9680 1.1437 -5.4744 3 444.3781393 89502 303652640 652541 a-Alanine, conf. I
94611.0111 1.6527 -6.8440 3 381.6166369 89502 303612141 611942 a-Alanine, conf. I
94627.5420 1.2945 -5.5652 3 508.5492423 89502 303702645 702546 a-Alanine, conf. I
94630.2978 0.7723 -6.8708 3 324.3663333 89502 303552431 552333 a-Alanine, conf. I
94644.0150 0.0171 -5.7461 3 29.8977105 89502 30317 810 16 8 9 a-Alanine, conf. I
94652.6899 0.0198 -5.9336 3 13.2874 75 89502 30312 5 7 11 4 8 a-Alanine, conf. I
94655.3580 0.1825 -5.9614 3 60.0300147 89502 303241014 231113 a-Alanine, conf. I
94671.9342 0.0150 -5.7177 3 28.8051105 89502 30317 711 16 710 a-Alanine, conf. I
94682.5945 2.1194 -5.4676 3 435.2362393 89502 303652343 652244 a-Alanine, conf. I
94686.9934 0.1426 -6.5256 3 61.3662147 89502 303241113 24 816 a-Alanine, conf. I
94692.3102 0.1538 -5.4161 3 131.5925231 89502 30338 632 38 533 a-Alanine, conf. I
94692.3102 0.1538 -6.6425 3 131.5925231 89502 30338 632 38 633 a-Alanine, conf. I
94692.3109 0.1538 -6.6425 3 131.5925231 89502 30338 732 38 533 a-Alanine, conf. I
94692.3109 0.1538 -5.4161 3 131.5925231 89502 30338 732 38 633 a-Alanine, conf. I
94719.3265 0.0535 -5.3888 3 115.8511183 89502 3033021 9 302010 a-Alanine, conf. I
94719.3265 0.0535 -6.7579 3 115.8511183 89502 3033021 9 302011 a-Alanine, conf. I
94719.3265 0.0535 -6.7579 3 115.8511183 89502 303302110 302010 a-Alanine, conf. I
94719.3265 0.0535 -5.3888 3 115.8511183 89502 303302110 302011 a-Alanine, conf. I
94753.0660 1.4962 -6.9484 3 370.6695357 89502 303592535 592435 a-Alanine, conf. I
94799.4234 0.3145 -6.7012 3 264.8945273 89502 303453213 443312 a-Alanine, conf. I
94799.4234 0.3145 -6.7012 3 264.8945273 89502 303453214 443311 a-Alanine, conf. I
94841.7133 0.2418 -6.7001 3 199.5227255 89502 303422221 422121 a-Alanine, conf. I
94841.7695 0.2418 -5.2569 3 199.5227255 89502 303422220 422121 a-Alanine, conf. I
94842.4781 0.2416 -5.2569 3 199.5226255 89502 303422221 422122 a-Alanine, conf. I
94842.5343 0.2416 -6.7001 3 199.5226255 89502 303422220 422122 a-Alanine, conf. I
94879.2491 0.2604 -6.4699 3 64.8199153 89502 303251015 25 718 a-Alanine, conf. I
94939.2244 13.8646 -5.9837 3 761.8338519 89502 303863056 862957 a-Alanine, conf. I
94943.2529 2.2105 -5.4454 3 420.1419381 89502 303632637 632538 a-Alanine, conf. I
94948.4560 0.2127 -6.3434 3 166.1396225 89502 303372314 362413 a-Alanine, conf. I
94948.4560 0.2127 -6.3434 3 166.1396225 89502 303372315 362412 a-Alanine, conf. I
94955.5600 0.0460 -5.4175 3 110.3668177 89502 3032921 8 2920 9 a-Alanine, conf. I
94955.5600 0.0460 -6.7808 3 110.3668177 89502 3032921 8 292010 a-Alanine, conf. I
94955.5600 0.0460 -6.7808 3 110.3668177 89502 3032921 9 2920 9 a-Alanine, conf. I
94955.5600 0.0460 -5.4175 3 110.3668177 89502 3032921 9 292010 a-Alanine, conf. I
94962.2123 1.4162 -5.3814 3 370.6695357 89502 303592534 592435 a-Alanine, conf. I
94974.0098 0.0022 -5.3515 3 13.8387 69 89502 30311 8 4 10 7 3 a-Alanine, conf. I
94974.5084 0.4870 -6.7688 3 262.4066297 89502 303492327 492227 a-Alanine, conf. I
94974.8021 0.0022 -6.4357 3 13.8387 69 89502 30311 8 3 10 7 3 a-Alanine, conf. I
94978.9645 0.4859 -5.2761 3 262.4066297 89502 303492326 492227 a-Alanine, conf. I
94979.1149 0.0022 -6.4357 3 13.8386 69 89502 30311 8 4 10 7 4 a-Alanine, conf. I
94979.9072 0.0022 -5.3515 3 13.8386 69 89502 30311 8 3 10 7 4 a-Alanine, conf. I
95000.7544 0.9169 -6.9748 3 381.9165363 89502 303602535 602437 a-Alanine, conf. I
95003.3107 0.9357 -6.6533 3 271.7154315 89502 303521537 521538 a-Alanine, conf. I
95008.6320 1.3159 -6.7832 3 159.3770243 89502 303401229 391326 a-Alanine, conf. I
95011.5890 0.9337 -5.3041 3 271.7151315 89502 303521537 521438 a-Alanine, conf. I
95017.3062 0.4769 -5.2758 3 262.4051297 89502 303492327 492228 a-Alanine, conf. I
95021.7624 0.4757 -6.7683 3 262.4051297 89502 303492326 492228 a-Alanine, conf. I
95080.2989 0.9174 -5.3035 3 271.7154315 89502 303521637 521538 a-Alanine, conf. I
95088.5773 0.9154 -6.6525 3 271.7151315 89502 303521637 521438 a-Alanine, conf. I
95095.0856 2.1617 -5.5014 3 463.2891405 89502 303672444 672345 a-Alanine, conf. I
95132.5850 0.0300 -4.9932 3 31.5274123 -89502 30320 119 19 218 a-Alanine, conf. I
95132.5756 0.0093 -5.5860 3 31.5274123 89502 30320 219 19 218 a-Alanine, conf. I
95132.5784 0.0093 -5.5860 3 31.5274123 89502 30320 119 19 118 a-Alanine, conf. I
95132.5850 0.0300 -4.9932 3 31.5274123 -89502 30320 219 19 118 a-Alanine, conf. I
95143.0552 0.5375 -6.5942 3 217.4174285 89502 303471235 471236 a-Alanine, conf. I
95143.3662 0.5374 -5.2902 3 217.4174285 89502 303471235 471136 a-Alanine, conf. I
95146.9007 0.5368 -5.2902 3 217.4174285 89502 303471335 471236 a-Alanine, conf. I
95147.2118 0.5367 -6.5942 3 217.4174285 89502 303471335 471136 a-Alanine, conf. I
95167.5141 0.0404 -5.4518 3 105.0704171 89502 3032821 7 2820 8 a-Alanine, conf. I
95167.5141 0.0404 -6.8096 3 105.0704171 89502 3032821 7 2820 9 a-Alanine, conf. I
95167.5141 0.0404 -6.8096 3 105.0704171 89502 3032821 8 2820 8 a-Alanine, conf. I
95167.5141 0.0404 -5.4518 3 105.0704171 89502 3032821 8 2820 9 a-Alanine, conf. I
95181.8440 3.2258 -6.8975 3 419.8557387 89502 303642143 642144 a-Alanine, conf. I
95196.7082 17.3602 -6.8304 3 1245.4323663 89502 303B04070 B03971 a-Alanine, conf. I
95196.8859 13.9772 -6.1137 3 841.1314543 89502 303903456 903357 a-Alanine, conf. I
95240.8620 0.0300 -5.2596 3 29.8141111 -89502 30318 414 17 513 a-Alanine, conf. I
95244.6037 18.6238 -6.2335 3 909.3962567 89502 303943361 943262 a-Alanine, conf. I
95262.5703 0.0026 -5.4454 3 14.8839 75 89502 30312 7 6 11 6 5 a-Alanine, conf. I
95281.8133 0.0237 -5.7400 3 29.9123105 89502 30317 8 9 16 8 8 a-Alanine, conf. I
95291.6843 1.6570 -6.8912 3 407.9865381 89502 303632242 632043 a-Alanine, conf. I
95292.7176 19.8939 -6.9480 3 1309.8313681 89502 303B34073 B33974 a-Alanine, conf. I
95322.9480 0.0100 -6.5967 3 14.5528 81 89502 30313 310 12 210 a-Alanine, conf. I
95329.0005 0.2310 -6.5923 3 158.1898249 89502 30341 833 41 834 a-Alanine, conf. I
95329.0014 0.2310 -5.3422 3 158.1898249 89502 30341 833 41 734 a-Alanine, conf. I
95329.0178 0.2310 -5.3422 3 158.1898249 89502 30341 933 41 834 a-Alanine, conf. I
95329.0186 0.2310 -6.5923 3 158.1898249 89502 30341 933 41 734 a-Alanine, conf. I
95341.4678 0.0026 -6.4412 3 14.8839 75 89502 30312 7 5 11 6 5 a-Alanine, conf. I
95357.1456 0.0368 -5.4931 3 99.9613165 89502 3032721 6 2720 7 a-Alanine, conf. I
95357.1456 0.0368 -6.8456 3 99.9613165 89502 3032721 6 2720 8 a-Alanine, conf. I
95357.1456 0.0368 -6.8456 3 99.9613165 89502 3032721 7 2720 7 a-Alanine, conf. I
95357.1456 0.0368 -5.4931 3 99.9613165 89502 3032721 7 2720 8 a-Alanine, conf. I
95373.4359 0.1891 -5.7923 3 89.6741201 89502 30333 231 33 132 a-Alanine, conf. I
95373.4359 0.1891 -6.9746 3 89.6741201 89502 30333 231 33 232 a-Alanine, conf. I
95373.4359 0.1891 -6.9746 3 89.6741201 89502 30333 331 33 132 a-Alanine, conf. I
95373.4359 0.1891 -5.7923 3 89.6741201 89502 30333 331 33 232 a-Alanine, conf. I
95442.5419 0.0084 -5.6590 3 29.8141111 89502 30318 514 17 513 a-Alanine, conf. I
95454.5750 0.9839 -6.8050 3 184.7083261 89502 303431231 421528 a-Alanine, conf. I
95462.7635 0.3352 -6.7326 3 278.2841279 89502 303463313 453412 a-Alanine, conf. I
95462.7635 0.3352 -6.7326 3 278.2841279 89502 303463314 453411 a-Alanine, conf. I
95483.7756 0.2157 -6.6902 3 191.7547249 89502 303412220 412120 a-Alanine, conf. I
95483.7944 0.2157 -5.2557 3 191.7547249 89502 303412219 412120 a-Alanine, conf. I
95484.0523 0.2157 -5.2557 3 191.7547249 89502 303412220 412121 a-Alanine, conf. I
95484.0711 0.2157 -6.6902 3 191.7547249 89502 303412219 412121 a-Alanine, conf. I
95509.1155 0.3603 -6.5792 3 186.8061267 89502 303441034 441035 a-Alanine, conf. I
95509.1348 0.3602 -5.3034 3 186.8061267 89502 303441034 44 935 a-Alanine, conf. I
95509.4148 0.3602 -5.3034 3 186.8061267 89502 303441134 441035 a-Alanine, conf. I
95509.4341 0.3602 -6.5792 3 186.8061267 89502 303441134 44 935 a-Alanine, conf. I
95526.2647 0.0356 -5.5435 3 95.0390159 89502 3032621 5 2620 6 a-Alanine, conf. I
95526.2647 0.0356 -6.8909 3 95.0390159 89502 3032621 5 2620 7 a-Alanine, conf. I
95526.2647 0.0356 -6.8909 3 95.0390159 89502 3032621 6 2620 6 a-Alanine, conf. I
95526.2647 0.0356 -5.5435 3 95.0390159 89502 3032621 6 2620 7 a-Alanine, conf. I
95539.8805 0.2235 -6.3713 3 176.6730231 89502 303382414 372513 a-Alanine, conf. I
95539.8805 0.2235 -6.3713 3 176.6730231 89502 303382415 372512 a-Alanine, conf. I
95556.1053 0.0721 -5.9611 3 64.5246153 89502 303251016 241113 a-Alanine, conf. I
95621.8987 0.0027 -6.4395 3 14.8719 75 89502 30312 7 6 11 6 6 a-Alanine, conf. I
95648.9851 0.0085 -6.4977 3 15.4449 81 89502 30313 5 9 12 4 9 a-Alanine, conf. I
95663.6274 3.0278 -5.4490 3 419.8396387 89502 303642143 642044 a-Alanine, conf. I
95665.6559 0.8043 -6.8407 3 314.0665327 89502 303542431 542331 a-Alanine, conf. I
95676.5525 0.0364 -5.6062 3 90.3029153 89502 3032521 4 2520 5 a-Alanine, conf. I
95676.5525 0.0364 -6.9488 3 90.3029153 89502 3032521 4 2520 6 a-Alanine, conf. I
95676.5525 0.0364 -6.9488 3 90.3029153 89502 3032521 5 2520 5 a-Alanine, conf. I
95676.5525 0.0364 -5.6062 3 90.3029153 89502 3032521 5 2520 6 a-Alanine, conf. I
95679.3325 0.0195 -5.5596 3 21.6690 93 89502 30315 610 14 5 9 a-Alanine, conf. I
95684.9081 0.0085 -5.6565 3 29.7993111 89502 30318 414 17 413 a-Alanine, conf. I
95699.8378 0.7934 -5.3141 3 314.0665327 89502 303542430 542331 a-Alanine, conf. I
95700.7962 0.0029 -5.4430 3 14.8719 75 89502 30312 7 5 11 6 6 a-Alanine, conf. I
95708.9403 2.0980 -5.5365 3 492.1740417 89502 303692545 692446 a-Alanine, conf. I
95753.6720 1.1257 -6.6779 3 294.2876327 89502 303541638 541639 a-Alanine, conf. I
95771.0843 1.1210 -5.3147 3 294.2870327 89502 303541638 541539 a-Alanine, conf. I
95776.7335 0.1463 -5.4643 3 122.0990225 89502 30337 532 37 433 a-Alanine, conf. I
95776.7335 0.1463 -6.6785 3 122.0990225 89502 30337 532 37 533 a-Alanine, conf. I
95776.7335 0.1463 -5.4643 3 122.0990225 89502 30337 632 37 533 a-Alanine, conf. I
95776.7336 0.1463 -6.6785 3 122.0990225 89502 30337 632 37 433 a-Alanine, conf. I
95809.5747 0.0390 -5.6866 3 85.7527147 89502 3032421 3 2420 4 a-Alanine, conf. I
95809.5747 0.0390 -5.6866 3 85.7527147 89502 3032421 4 2420 5 a-Alanine, conf. I
95812.7316 0.0080 -5.6788 3 27.6121105 89502 30317 512 16 511 a-Alanine, conf. I
95833.2601 0.6851 -5.5603 3 511.7056423 89502 303702744 702645 a-Alanine, conf. I
95833.4793 0.5068 -5.5801 3 525.1130429 89502 303712745 712646 a-Alanine, conf. I
95858.5128 4.2255 -5.5757 3 515.1490423 89502 303702842 702743 a-Alanine, conf. I
95886.5780 0.0300 -5.2528 3 29.7993111 -89502 30318 514 17 413 a-Alanine, conf. I
95904.1747 1.0866 -5.3135 3 294.2876327 89502 303541738 541639 a-Alanine, conf. I
95921.5870 1.0818 -6.6764 3 294.2870327 89502 303541738 541539 a-Alanine, conf. I
95926.7937 0.0426 -5.7950 3 81.3878141 89502 3032321 2 2320 3 a-Alanine, conf. I
95926.7937 0.0426 -5.7950 3 81.3878141 89502 3032321 3 2320 4 a-Alanine, conf. I
95938.1439 0.7262 -5.3120 3 314.0575327 89502 303542431 542332 a-Alanine, conf. I
95972.3258 0.7154 -6.8381 3 314.0575327 89502 303542430 542332 a-Alanine, conf. I
95974.5036 1.2475 -5.4488 3 432.1066387 89502 303642639 642540 a-Alanine, conf. I
96009.4161 0.4319 -6.7464 3 253.2781291 89502 303482326 482226 a-Alanine, conf. I
96011.1980 0.4314 -5.2649 3 253.2781291 89502 303482325 482226 a-Alanine, conf. I
96020.3791 0.0049 -6.7198 3 8.0913 63 89502 30310 4 7 9 1 8 a-Alanine, conf. I
96027.7759 0.4276 -5.2647 3 253.2775291 89502 303482326 482227 a-Alanine, conf. I
96029.5578 0.4272 -6.7462 3 253.2775291 89502 303482325 482227 a-Alanine, conf. I
96029.5784 0.0470 -5.9544 3 77.2079135 89502 3032221 1 2220 2 a-Alanine, conf. I
96029.5784 0.0470 -5.9544 3 77.2079135 89502 3032221 2 2220 3 a-Alanine, conf. I
96044.8202 0.0074 -6.5910 3 14.5579 81 89502 30313 410 12 310 a-Alanine, conf. I
96068.5989 0.1922 -6.6824 3 184.1820243 89502 303402219 402119 a-Alanine, conf. I
96068.6049 0.1922 -5.2563 3 184.1820243 89502 303402218 402119 a-Alanine, conf. I
96068.6951 0.1922 -5.2563 3 184.1820243 89502 303402219 402120 a-Alanine, conf. I
96068.7012 0.1922 -6.6824 3 184.1820243 89502 303402218 402120 a-Alanine, conf. I
96096.3150 1.5650 -6.9426 3 237.8381297 89502 303491336 481633 a-Alanine, conf. I
96110.5405 0.2201 -6.0664 3 81.3354195 89502 30332 131 32 032 a-Alanine, conf. I
96110.5405 0.2201 -6.0664 3 81.3354195 89502 30332 231 32 132 a-Alanine, conf. I
96119.2126 0.0516 -6.2386 3 73.2126129 89502 3032121 0 2120 1 a-Alanine, conf. I
96119.2126 0.0516 -6.2386 3 73.2126129 89502 3032121 1 2120 2 a-Alanine, conf. I
96128.1864 0.3576 -6.7645 3 292.0106285 89502 303473413 463512 a-Alanine, conf. I
96128.1864 0.3576 -6.7645 3 292.0106285 89502 303473414 463511 a-Alanine, conf. I
96136.8428 1.0330 -5.3711 3 370.6234357 89502 303592535 592436 a-Alanine, conf. I
96138.7047 5.5148 -5.5849 3 518.4325429 89502 303712447 712348 a-Alanine, conf. I
96143.1056 0.2350 -6.3996 3 187.5441237 89502 303392514 382613 a-Alanine, conf. I
96143.1056 0.2350 -6.3996 3 187.5441237 89502 303392515 382612 a-Alanine, conf. I
96171.6311 2.5268 -6.8380 3 393.0578375 89502 303622042 622043 a-Alanine, conf. I
96291.3570 1.4831 -6.9417 3 435.1825393 89502 303652343 652144 a-Alanine, conf. I
96303.6768 1.3568 -6.7082 3 317.7109339 89502 303561739 561740 a-Alanine, conf. I
96339.2651 1.3461 -5.3304 3 317.7097339 89502 303561739 561640 a-Alanine, conf. I
96345.9891 0.9553 -6.9347 3 370.6234357 89502 303592534 592436 a-Alanine, conf. I
96374.1574 19.5962 -6.5521 3 1095.4314621 89502 303A33865 A33766 a-Alanine, conf. I
96396.4100 0.0300 -5.3979 3 30.9243111 -89502 30318 513 17 612 a-Alanine, conf. I
96403.6296 0.6547 -6.6019 3 237.8279297 89502 303491336 491337 a-Alanine, conf. I
96404.3713 0.6545 -5.2858 3 237.8279297 89502 303491336 491237 a-Alanine, conf. I
96412.0747 0.6529 -5.2857 3 237.8279297 89502 303491436 491337 a-Alanine, conf. I
96412.8164 0.6527 -6.6018 3 237.8279297 89502 303491436 491237 a-Alanine, conf. I
96414.2403 23.9018 -6.6197 3 1132.4709633 89502 303A53768 A53669 a-Alanine, conf. I
96430.1788 1.0329 -5.5372 3 498.4796417 89502 303692743 692644 a-Alanine, conf. I
96431.9650 2.4270 -5.4099 3 393.0491375 89502 303622042 621943 a-Alanine, conf. I
96452.0444 8.6209 -5.8139 3 668.2364483 89502 303803149 803050 a-Alanine, conf. I
96519.2861 0.9177 -5.5960 3 538.6930435 89502 303722746 722647 a-Alanine, conf. I
96523.7564 10.6940 -5.8296 3 675.6518489 89502 303812853 812754 a-Alanine, conf. I
96578.8161 0.0162 -5.5426 3 32.7284129 89502 30321 021 20 020 a-Alanine, conf. I
96578.8580 0.0300 -4.9163 3 32.7284129 -89502 30321 021 20 120 a-Alanine, conf. I
96578.8580 0.0300 -4.9163 3 32.7284129 -89502 30321 121 20 020 a-Alanine, conf. I
96578.8161 0.0162 -5.5426 3 32.7284129 89502 30321 121 20 120 a-Alanine, conf. I
96590.0070 1.2758 -5.3282 3 317.7109339 89502 303561839 561740 a-Alanine, conf. I
96595.2684 0.0208 -6.3814 3 18.4469 87 89502 30314 5 9 13 4 9 a-Alanine, conf. I
96597.8009 2.0217 -6.7875 3 367.0990363 89502 303601941 601942 a-Alanine, conf. I
96601.6146 0.1709 -6.6770 3 176.8035237 89502 303392218 392118 a-Alanine, conf. I
96601.6165 0.1709 -5.2587 3 176.8035237 89502 303392217 392118 a-Alanine, conf. I
96601.6468 0.1709 -5.2587 3 176.8035237 89502 303392218 392119 a-Alanine, conf. I
96601.6487 0.1709 -6.6770 3 176.8035237 89502 303392217 392119 a-Alanine, conf. I
96607.8555 1.6462 -6.7446 3 341.9823351 89502 303581840 581841 a-Alanine, conf. I
96621.1760 1.9058 -5.5722 3 521.8901429 89502 303712646 712547 a-Alanine, conf. I
96625.5953 1.2651 -6.7054 3 317.7097339 89502 303561839 561640 a-Alanine, conf. I
96631.7603 0.1900 -6.6033 3 148.0080243 89502 30340 733 40 734 a-Alanine, conf. I
96631.7604 0.1900 -5.3666 3 148.0080243 89502 30340 733 40 634 a-Alanine, conf. I
96631.7625 0.1900 -5.3666 3 148.0080243 89502 30340 833 40 734 a-Alanine, conf. I
96631.7626 0.1900 -6.6033 3 148.0080243 89502 30340 833 40 634 a-Alanine, conf. I
96678.6756 1.6230 -5.3513 3 341.9800351 89502 303581840 581741 a-Alanine, conf. I
96735.2269 1.9729 -5.3776 3 367.0944363 89502 303601941 601842 a-Alanine, conf. I
96756.2627 0.2472 -6.4283 3 198.7527243 89502 303402614 392713 a-Alanine, conf. I
96756.2627 0.2472 -6.4283 3 198.7527243 89502 303402615 392712 a-Alanine, conf. I
96759.9742 0.1567 -5.5314 3 112.8269219 89502 30336 432 36 333 a-Alanine, conf. I
96759.9742 0.1567 -6.7341 3 112.8269219 89502 30336 432 36 433 a-Alanine, conf. I
96759.9742 0.1567 -6.7341 3 112.8269219 89502 30336 532 36 333 a-Alanine, conf. I
96759.9742 0.1567 -5.5314 3 112.8269219 89502 30336 532 36 433 a-Alanine, conf. I
96795.3472 0.3817 -6.7970 3 306.0740291 89502 303483513 473612 a-Alanine, conf. I
96795.3472 0.3817 -6.7970 3 306.0740291 89502 303483514 473611 a-Alanine, conf. I
96811.7270 0.0300 -5.1211 3 31.6435117 -89502 30319 316 18 415 a-Alanine, conf. I
96816.9528 0.0086 -5.6158 3 31.6435117 89502 30319 416 18 415 a-Alanine, conf. I
96824.8949 0.0086 -5.6157 3 31.6431117 89502 30319 316 18 315 a-Alanine, conf. I
96830.1020 0.0300 -5.1210 3 31.6431117 -89502 30319 416 18 315 a-Alanine, conf. I
96924.5145 7.8076 -5.6962 3 594.5063459 89502 303762650 762551 a-Alanine, conf. I
96941.7277 0.3853 -6.7265 3 244.3510285 89502 303472325 472225 a-Alanine, conf. I
96942.4175 0.3852 -5.2555 3 244.3510285 89502 303472324 472225 a-Alanine, conf. I
96949.3504 0.3836 -5.2554 3 244.3508285 89502 303472325 472226 a-Alanine, conf. I
96950.0402 0.3834 -6.7264 3 244.3508285 89502 303472324 472226 a-Alanine, conf. I
96967.4251 1.1979 -6.9039 3 359.5610351 89502 303582534 582434 a-Alanine, conf. I
97018.8198 0.1154 -5.9446 3 70.7990159 89502 303261116 251213 a-Alanine, conf. I
97029.3235 0.0060 -6.7366 3 13.5392 81 89502 30313 211 12 111 a-Alanine, conf. I
97032.0331 0.4489 -6.5748 3 205.8960279 89502 303461135 461136 a-Alanine, conf. I
97032.0847 0.4489 -5.2877 3 205.8960279 89502 303461135 461036 a-Alanine, conf. I
97032.7615 0.4488 -5.2877 3 205.8960279 89502 303461235 461136 a-Alanine, conf. I
97032.8131 0.4488 -6.5748 3 205.8960279 89502 303461235 461036 a-Alanine, conf. I
97065.9332 1.1609 -5.3539 3 359.5610351 89502 303582533 582434 a-Alanine, conf. I
97073.5452 0.2949 -6.5734 3 175.9478261 89502 30343 934 43 935 a-Alanine, conf. I
97073.5478 0.2949 -5.3125 3 175.9478261 89502 30343 934 43 835 a-Alanine, conf. I
97073.5929 0.2949 -5.3125 3 175.9478261 89502 303431034 43 935 a-Alanine, conf. I
97073.5956 0.2949 -6.5734 3 175.9478261 89502 303431034 43 835 a-Alanine, conf. I
97086.6512 0.0059 -6.7361 3 13.5394 81 89502 30313 311 12 211 a-Alanine, conf. I
97087.4972 0.1515 -6.6738 3 169.6184231 89502 303382217 382117 a-Alanine, conf. I
97087.4978 0.1515 -5.2631 3 169.6184231 89502 303382216 382117 a-Alanine, conf. I
97087.5075 0.1515 -5.2631 3 169.6184231 89502 303382217 382118 a-Alanine, conf. I
97087.5081 0.1515 -6.6738 3 169.6184231 89502 303382216 382118 a-Alanine, conf. I
97089.0267 0.2870 -6.6878 3 154.2725237 89502 303391227 381524 a-Alanine, conf. I
97096.0002 0.6925 -6.8094 3 303.9588321 89502 303532430 532330 a-Alanine, conf. I
97110.8939 0.6878 -5.2960 3 303.9588321 89502 303532429 532330 a-Alanine, conf. I
97129.3234 15.7083 -6.1970 3 897.1135561 89502 303933558 933459 a-Alanine, conf. I
97138.5745 1.4840 -5.3473 3 341.9823351 89502 303581940 581841 a-Alanine, conf. I
97209.3946 1.4608 -6.7394 3 341.9800351 89502 303581940 581741 a-Alanine, conf. I
97223.3971 0.6566 -5.2950 3 303.9545321 89502 303532430 532331 a-Alanine, conf. I
97238.2909 0.6520 -6.8081 3 303.9545321 89502 303532429 532331 a-Alanine, conf. I
97245.2213 0.8397 -6.7495 3 176.8402255 89502 303421230 411527 a-Alanine, conf. I
97274.0848 0.0061 -6.4311 3 16.2507 81 89502 30313 6 8 12 5 8 a-Alanine, conf. I
97310.4970 1.7664 -6.9310 3 237.7979297 89502 303491436 481533 a-Alanine, conf. I
97361.1590 0.1411 -5.9585 3 77.4288165 89502 303271216 261313 a-Alanine, conf. I
97371.0010 0.0230 -5.4992 3 24.5603 99 89502 30316 611 15 510 a-Alanine, conf. I
97377.8214 0.2603 -6.4574 3 210.2988249 89502 303412714 402813 a-Alanine, conf. I
97377.8214 0.2603 -6.4574 3 210.2988249 89502 303412715 402812 a-Alanine, conf. I
97383.5375 0.1549 -5.9822 3 84.4056171 89502 303281316 271413 a-Alanine, conf. I
97384.0068 0.0033 -6.6811 3 8.7652 63 89502 30310 5 6 9 2 7 a-Alanine, conf. I
97401.5904 0.6020 -6.4717 3 96.1425189 89502 303311022 301119 a-Alanine, conf. I
97413.5835 0.1636 -6.0087 3 91.7259177 89502 303291416 281513 a-Alanine, conf. I
97456.6830 2.7137 -5.4827 3 460.0874399 89502 303662739 662640 a-Alanine, conf. I
97463.9426 0.4075 -6.8300 3 320.4743297 89502 303493613 483712 a-Alanine, conf. I
97463.9426 0.4075 -6.8300 3 320.4743297 89502 303493614 483711 a-Alanine, conf. I
97488.4715 0.1677 -6.0080 3 91.7258177 89502 303291415 281514 a-Alanine, conf. I
97497.2230 1.2929 -5.5116 3 485.4432411 89502 303682742 682643 a-Alanine, conf. I
97530.3319 0.1338 -6.6731 3 162.6259225 89502 303372216 372116 a-Alanine, conf. I
97530.3320 0.1338 -5.2695 3 162.6259225 89502 303372215 372116 a-Alanine, conf. I
97530.3350 0.1338 -5.2695 3 162.6259225 89502 303372216 372117 a-Alanine, conf. I
97530.3352 0.1338 -6.6731 3 162.6259225 89502 303372215 372117 a-Alanine, conf. I
97535.0556 1.2669 -5.4229 3 420.0377381 89502 303632638 632539 a-Alanine, conf. I
97540.1245 0.7902 -6.6153 3 259.0982309 89502 303511437 511438 a-Alanine, conf. I
97541.4391 0.1708 -6.0357 3 99.3879183 89502 303301516 291613 a-Alanine, conf. I
97541.8264 0.7897 -5.2867 3 259.0982309 89502 303511437 511338 a-Alanine, conf. I
97544.9617 19.8375 -6.9391 3 1313.0099681 89502 303B34172 B34073 a-Alanine, conf. I
97556.6926 1.7072 -5.3705 3 367.0990363 89502 303602041 601942 a-Alanine, conf. I
97558.0517 0.7860 -5.2866 3 259.0982309 89502 303511537 511438 a-Alanine, conf. I
97558.4381 1.5619 -6.8225 3 192.5935267 89502 303441332 431429 a-Alanine, conf. I
97558.9157 0.1719 -6.0355 3 99.3879183 89502 303301515 291614 a-Alanine, conf. I
97559.7536 0.7856 -6.6151 3 259.0982309 89502 303511537 511338 a-Alanine, conf. I
97612.9428 0.0332 -5.6859 3 28.9171105 89502 30317 710 16 7 9 a-Alanine, conf. I
97652.7306 0.1798 -5.6275 3 103.7788213 89502 30335 332 35 233 a-Alanine, conf. I
97652.7306 0.1798 -6.8194 3 103.7788213 89502 30335 332 35 333 a-Alanine, conf. I
97652.7306 0.1798 -6.8194 3 103.7788213 89502 30335 432 35 233 a-Alanine, conf. I
97652.7306 0.1798 -5.6275 3 103.7788213 89502 30335 432 35 333 a-Alanine, conf. I
97670.5692 0.9634 -5.3487 3 359.5375351 89502 303582534 582435 a-Alanine, conf. I
97680.6549 0.1686 -5.9793 3 84.4052171 89502 303281315 271414 a-Alanine, conf. I
97694.1186 1.6586 -6.7782 3 367.0944363 89502 303602041 601842 a-Alanine, conf. I
97743.5361 1.7496 -5.4096 3 408.2304375 89502 303622636 622537 a-Alanine, conf. I
97769.0773 0.9271 -6.8971 3 359.5375351 89502 303582533 582435 a-Alanine, conf. I
97770.2852 0.1781 -6.0627 3 107.3906189 89502 303311616 301713 a-Alanine, conf. I
97774.1081 0.1784 -6.0627 3 107.3906189 89502 303311615 301714 a-Alanine, conf. I
97786.9796 0.3450 -6.7090 3 235.6236279 89502 303462324 462224 a-Alanine, conf. I
97787.2379 0.3449 -5.2478 3 235.6236279 89502 303462323 462224 a-Alanine, conf. I
97790.0412 0.3443 -5.2478 3 235.6235279 89502 303462324 462225 a-Alanine, conf. I
97790.2995 0.3443 -6.7090 3 235.6235279 89502 303462323 462225 a-Alanine, conf. I
97811.7888 0.1656 -5.4013 3 138.0417237 89502 30339 633 39 534 a-Alanine, conf. I
97811.7888 0.1656 -6.6255 3 138.0417237 89502 30339 633 39 634 a-Alanine, conf. I
97811.7891 0.1656 -6.6255 3 138.0417237 89502 30339 733 39 534 a-Alanine, conf. I
97811.7891 0.1656 -5.4013 3 138.0417237 89502 30339 733 39 634 a-Alanine, conf. I
97860.2845 1.9374 -5.3976 3 393.0578375 89502 303622142 622043 a-Alanine, conf. I
97899.3855 20.9129 -6.3172 3 967.5478585 89502 303973463 973364 a-Alanine, conf. I
97923.7835 0.2406 -6.3373 3 76.0279165 89502 303271116 27 819 a-Alanine, conf. I
97923.9072 1.5770 -5.6080 3 552.4374441 89502 303732747 732648 a-Alanine, conf. I
97933.7299 0.1177 -6.6748 3 155.8252219 89502 303362215 362115 a-Alanine, conf. I
97933.7300 0.1177 -5.2782 3 155.8252219 89502 303362214 362115 a-Alanine, conf. I
97933.7308 0.1177 -5.2782 3 155.8252219 89502 303362215 362116 a-Alanine, conf. I
97933.7309 0.1177 -6.6748 3 155.8252219 89502 303362214 362116 a-Alanine, conf. I
97956.6722 0.0193 -6.5915 3 50.3757111 89502 3031817 1 1717 0 a-Alanine, conf. I
97956.6722 0.0193 -6.5915 3 50.3757111 89502 3031817 2 1717 1 a-Alanine, conf. I
98006.5149 0.2743 -6.4870 3 222.1823255 89502 303422814 412913 a-Alanine, conf. I
98006.5149 0.2743 -6.4870 3 222.1823255 89502 303422815 412912 a-Alanine, conf. I
98022.3647 5.0740 -5.6274 3 559.2793441 89502 303732944 732845 a-Alanine, conf. I
98052.2322 0.0158 -6.2968 3 47.7956111 89502 3031816 2 1716 1 a-Alanine, conf. I
98052.2322 0.0158 -6.2968 3 47.7956111 89502 3031816 3 1716 2 a-Alanine, conf. I
98077.8307 2.1607 -5.4282 3 419.8557387 89502 303642243 642144 a-Alanine, conf. I
98082.2150 0.1859 -6.0897 3 115.7332195 89502 303321716 311813 a-Alanine, conf. I
98083.0058 0.1859 -6.0897 3 115.7332195 89502 303321715 311814 a-Alanine, conf. I
98088.4794 0.1143 -5.7196 3 39.9441123 89502 30320 713 19 812 a-Alanine, conf. I
98120.6184 1.8383 -6.8216 3 393.0491375 89502 303622142 621943 a-Alanine, conf. I
98124.9805 15.6542 -6.0518 3 815.2276537 89502 303893158 893059 a-Alanine, conf. I
98133.7048 0.4353 -6.8636 3 335.2112303 89502 303503713 493812 a-Alanine, conf. I
98133.7048 0.4353 -6.8636 3 335.2112303 89502 303503714 493811 a-Alanine, conf. I
98168.4295 0.0130 -6.1276 3 45.3753111 89502 3031815 3 1715 2 a-Alanine, conf. I
98168.4295 0.0130 -6.1276 3 45.3753111 89502 3031815 4 1715 3 a-Alanine, conf. I
98218.4258 0.0087 -5.0193 3 33.2680123 89502 30320 218 19 317 a-Alanine, conf. I
98218.4957 0.0087 -5.5728 3 33.2680123 89502 30320 318 19 317 a-Alanine, conf. I
98218.6201 0.0087 -5.5728 3 33.2680123 89502 30320 218 19 217 a-Alanine, conf. I
98218.6900 0.0087 -5.0193 3 33.2680123 89502 30320 318 19 217 a-Alanine, conf. I
98253.5927 2.3567 -5.4619 3 447.4897399 89502 303662344 662245 a-Alanine, conf. I
98288.7437 0.0104 -5.6447 3 30.9243111 89502 30318 613 17 612 a-Alanine, conf. I
98291.4490 4.3709 -5.5258 3 488.7410417 89502 303692346 692247 a-Alanine, conf. I
98300.9125 0.1029 -6.6793 3 149.2155213 89502 303352214 352114 a-Alanine, conf. I
98300.9126 0.1029 -5.2892 3 149.2155213 89502 303352213 352114 a-Alanine, conf. I
98300.9128 0.1029 -6.6793 3 149.2155213 89502 303352213 352115 a-Alanine, conf. I
98300.9128 0.1029 -5.2892 3 149.2155213 89502 303352214 352115 a-Alanine, conf. I
98311.7266 0.0113 -6.0101 3 43.1156111 89502 3031814 4 1714 3 a-Alanine, conf. I
98311.7266 0.0113 -6.0101 3 43.1156111 89502 3031814 5 1714 4 a-Alanine, conf. I
98327.9973 26.2636 -6.7241 3 1197.0796651 89502 303A83870 A83771 a-Alanine, conf. I
98328.3317 0.6671 -6.7061 3 169.1397249 89502 303411229 401526 a-Alanine, conf. I
98348.4075 0.6074 -6.7814 3 294.0581315 89502 303522429 522329 a-Alanine, conf. I
98354.7076 0.6055 -5.2802 3 294.0581315 89502 303522428 522329 a-Alanine, conf. I
98357.3329 9.9790 -5.8830 3 718.3203501 89502 303833251 833152 a-Alanine, conf. I
98364.2020 0.0068 -6.3513 3 18.9577 87 89502 30314 6 8 13 5 8 a-Alanine, conf. I
98394.0671 0.4730 -6.6821 3 161.6145243 89502 303401228 391525 a-Alanine, conf. I
98406.1290 0.5915 -5.2798 3 294.0562315 89502 303522429 522330 a-Alanine, conf. I
98412.4292 0.5895 -6.7809 3 294.0562315 89502 303522428 522330 a-Alanine, conf. I
98431.7779 0.1810 -5.9474 3 77.4273165 89502 303271215 261314 a-Alanine, conf. I
98449.6646 2.4978 -5.4982 3 475.9571411 89502 303682445 682346 a-Alanine, conf. I
98450.3467 0.5518 -6.5769 3 225.8512291 89502 303481236 481237 a-Alanine, conf. I
98450.4781 0.5517 -5.2784 3 225.8512291 89502 303481236 481137 a-Alanine, conf. I
98452.0458 0.5514 -5.2784 3 225.8512291 89502 303481336 481237 a-Alanine, conf. I
98452.1772 0.5514 -6.5769 3 225.8512291 89502 303481336 481137 a-Alanine, conf. I
98458.9928 0.1942 -6.1168 3 124.4153201 89502 303331816 321913 a-Alanine, conf. I
98459.1485 0.1942 -6.1168 3 124.4153201 89502 303331815 321914 a-Alanine, conf. I
98464.0225 0.2098 -5.7756 3 94.9575207 89502 30334 232 34 133 a-Alanine, conf. I
98464.0225 0.2098 -6.9572 3 94.9575207 89502 30334 232 34 233 a-Alanine, conf. I
98464.0225 0.2098 -6.9572 3 94.9575207 89502 30334 332 34 133 a-Alanine, conf. I
98464.0225 0.2098 -5.7756 3 94.9575207 89502 30334 332 34 233 a-Alanine, conf. I
98485.6729 0.2409 -6.5757 3 165.2986255 89502 30342 834 42 835 a-Alanine, conf. I
98485.6732 0.2409 -5.3286 3 165.2986255 89502 30342 834 42 735 a-Alanine, conf. I
98485.6797 0.2409 -5.3286 3 165.2986255 89502 30342 934 42 835 a-Alanine, conf. I
98485.6800 0.2409 -6.5757 3 165.2986255 89502 30342 934 42 735 a-Alanine, conf. I
98491.5150 0.0109 -5.9210 3 41.0177111 89502 3031813 6 1713 5 a-Alanine, conf. I
98491.5162 0.0109 -5.9210 3 41.0177111 89502 3031813 5 1713 4 a-Alanine, conf. I
98542.1583 0.9472 -6.6341 3 281.2258321 89502 303531538 531539 a-Alanine, conf. I
98545.9307 0.9462 -5.2928 3 281.2257321 89502 303531538 531439 a-Alanine, conf. I
98556.3782 0.3094 -6.6938 3 227.0946273 89502 303452323 452223 a-Alanine, conf. I
98556.4717 0.3094 -5.2418 3 227.0946273 89502 303452322 452223 a-Alanine, conf. I
98557.5670 0.3092 -5.2418 3 227.0946273 89502 303452323 452224 a-Alanine, conf. I
98557.6605 0.3091 -6.6937 3 227.0946273 89502 303452322 452224 a-Alanine, conf. I
98559.6140 1.9647 -6.8692 3 419.8396387 89502 303642243 642044 a-Alanine, conf. I
98579.0523 0.9377 -5.2925 3 281.2258321 89502 303531638 531539 a-Alanine, conf. I
98582.8247 0.9367 -6.6337 3 281.2257321 89502 303531638 531439 a-Alanine, conf. I
98634.7748 0.0895 -5.3029 3 142.7962207 89502 303342212 342113 a-Alanine, conf. I
98634.7748 0.0895 -6.6866 3 142.7962207 89502 303342213 342113 a-Alanine, conf. I
98634.7749 0.0895 -6.6866 3 142.7962207 89502 303342212 342114 a-Alanine, conf. I
98634.7749 0.0895 -5.3029 3 142.7962207 89502 303342213 342114 a-Alanine, conf. I
98641.2852 0.2892 -6.5170 3 234.4031261 89502 303432914 423013 a-Alanine, conf. I
98641.2852 0.2892 -6.5170 3 234.4031261 89502 303432915 423012 a-Alanine, conf. I
98645.3594 21.8472 -6.6518 3 1158.9890639 89502 303A63967 A63868 a-Alanine, conf. I
98699.2218 0.1799 -6.6794 3 56.7476141 89502 303231112 23 815 a-Alanine, conf. I
98722.0324 0.0119 -5.8501 3 39.0834111 89502 3031812 7 1712 6 a-Alanine, conf. I
98722.0721 0.0119 -5.8501 3 39.0834111 89502 3031812 6 1712 5 a-Alanine, conf. I
98724.8521 0.3718 -6.5625 3 194.5761273 89502 303451035 451036 a-Alanine, conf. I
98724.8598 0.3718 -5.2909 3 194.5761273 89502 303451035 45 936 a-Alanine, conf. I
98724.9770 0.3718 -5.2909 3 194.5761273 89502 303451135 451036 a-Alanine, conf. I
98724.9847 0.3718 -6.5625 3 194.5761273 89502 303451135 45 936 a-Alanine, conf. I
98745.7268 2.5516 -5.5365 3 505.2554423 89502 303702546 702447 a-Alanine, conf. I
98775.1239 0.0223 -5.6499 3 28.2279105 89502 30317 611 16 610 a-Alanine, conf. I
98782.5953 0.9974 -6.8655 3 348.6705345 89502 303572533 572433 a-Alanine, conf. I
98790.2573 1.4859 -6.8763 3 228.9426291 89502 303481335 471632 a-Alanine, conf. I
98804.3963 0.4650 -6.8977 3 350.2849309 89502 303513813 503912 a-Alanine, conf. I
98804.3963 0.4650 -6.8977 3 350.2849309 89502 303513814 503911 a-Alanine, conf. I
98827.6836 0.9808 -5.3304 3 348.6705345 89502 303572532 572433 a-Alanine, conf. I
98832.7650 0.7229 -5.6055 3 555.7037441 89502 303732846 732747 a-Alanine, conf. I
98883.3854 0.1609 -5.4494 3 128.2941231 89502 30338 533 38 434 a-Alanine, conf. I
98883.3854 0.1609 -6.6618 3 128.2941231 89502 30338 533 38 534 a-Alanine, conf. I
98883.3854 0.1609 -6.6618 3 128.2941231 89502 30338 633 38 434 a-Alanine, conf. I
98883.3854 0.1609 -5.4494 3 128.2941231 89502 30338 633 38 534 a-Alanine, conf. I
98886.2670 0.2031 -6.1439 3 133.4364207 89502 303341916 332013 a-Alanine, conf. I
98886.2963 0.2031 -6.1439 3 133.4364207 89502 303341915 332014 a-Alanine, conf. I
98891.6148 1.4357 -5.4846 3 472.6033405 89502 303672741 672642 a-Alanine, conf. I
98913.5929 0.5974 -5.6263 3 569.6748447 89502 303742847 742748 a-Alanine, conf. I
98937.9360 0.0774 -5.3195 3 136.5666201 89502 303332211 332112 a-Alanine, conf. I
98937.9360 0.0774 -6.6972 3 136.5666201 89502 303332211 332113 a-Alanine, conf. I
98937.9360 0.0774 -6.6972 3 136.5666201 89502 303332212 332112 a-Alanine, conf. I
98937.9360 0.0774 -5.3195 3 136.5666201 89502 303332212 332113 a-Alanine, conf. I
98970.0828 0.0032 -6.3456 3 14.5048 63 89502 3031010 0 9 9 0 a-Alanine, conf. I
98970.0900 0.0300 -5.1868 3 14.5048 63 -89502 3031010 1 9 9 0 a-Alanine, conf. I
98970.0900 0.0300 -5.1868 3 14.5048 63 -89502 3031010 0 9 9 1 a-Alanine, conf. I
98970.0829 0.0032 -6.3456 3 14.5048 63 89502 3031010 1 9 9 1 a-Alanine, conf. I
99009.3313 0.4840 -6.7339 3 163.6456243 89502 303401327 391624 a-Alanine, conf. I
99025.8594 0.0140 -5.7915 3 37.3153111 89502 3031811 8 1711 7 a-Alanine, conf. I
99026.7884 0.0140 -5.7915 3 37.3153111 89502 3031811 7 1711 6 a-Alanine, conf. I
99124.8530 1.9803 -6.9206 3 447.4606399 89502 303662344 662145 a-Alanine, conf. I
99128.3048 0.8832 -5.3278 3 348.6589345 89502 303572533 572434 a-Alanine, conf. I
99152.5686 1.2274 -5.3975 3 408.1746375 89502 303622637 622538 a-Alanine, conf. I
99154.2306 17.5950 -6.2842 3 954.8587579 89502 303963660 963561 a-Alanine, conf. I
99173.3931 0.8668 -6.8622 3 348.6589345 89502 303572532 572434 a-Alanine, conf. I
99201.5613 0.2428 -6.0494 3 86.3651201 89502 30333 132 33 033 a-Alanine, conf. I
99201.5613 0.2428 -6.0494 3 86.3651201 89502 30333 232 33 133 a-Alanine, conf. I
99212.7796 0.0668 -5.3395 3 130.5262195 89502 303322210 322111 a-Alanine, conf. I
99212.7796 0.0668 -6.7114 3 130.5262195 89502 303322210 322112 a-Alanine, conf. I
99212.7796 0.0668 -6.7114 3 130.5262195 89502 303322211 322111 a-Alanine, conf. I
99212.7796 0.0668 -5.3395 3 130.5262195 89502 303322211 322112 a-Alanine, conf. I
99213.5098 0.1996 -5.8733 3 54.2516141 89502 30323 914 221013 a-Alanine, conf. I
99235.5436 2.4851 -5.5761 3 535.3829435 89502 303722647 722548 a-Alanine, conf. I
99239.0639 3.7001 -6.9271 3 459.8866405 89502 303672245 672246 a-Alanine, conf. I
99258.5095 0.2777 -6.6806 3 218.7628267 89502 303442322 442222 a-Alanine, conf. I
99258.5422 0.2777 -5.2375 3 218.7628267 89502 303442321 442222 a-Alanine, conf. I
99258.9554 0.2776 -5.2375 3 218.7628267 89502 303442322 442223 a-Alanine, conf. I
99258.9880 0.2776 -6.6806 3 218.7628267 89502 303442321 442223 a-Alanine, conf. I
99281.2411 0.3053 -6.5475 3 246.9611267 89502 303443014 433113 a-Alanine, conf. I
99281.2411 0.3053 -6.5475 3 246.9611267 89502 303443015 433112 a-Alanine, conf. I
99296.0806 0.0234 -5.4205 3 27.6121105 89502 30317 612 16 511 a-Alanine, conf. I
99331.5890 0.0634 -5.5242 3 35.3011117 89502 30319 613 18 712 a-Alanine, conf. I
99341.9657 0.0358 -6.9181 3 43.9472129 89502 30321 714 20 812 a-Alanine, conf. I
99353.3454 0.2125 -6.1713 3 142.7962213 89502 303352016 342113 a-Alanine, conf. I
99353.3507 0.2125 -6.1713 3 142.7962213 89502 303352015 342114 a-Alanine, conf. I
99370.4702 1.1286 -5.5813 3 541.9126435 89502 303722845 722746 a-Alanine, conf. I
99395.4840 1.1305 -6.6582 3 304.2079333 89502 303551639 551640 a-Alanine, conf. I
99403.5880 1.1281 -5.3038 3 304.2077333 89502 303551639 551540 a-Alanine, conf. I
99437.1952 0.0170 -5.7419 3 35.7175111 89502 3031810 9 1710 8 a-Alanine, conf. I
99452.8186 0.0172 -5.7417 3 35.7177111 89502 3031810 8 1710 7 a-Alanine, conf. I
99461.4861 0.0576 -5.3634 3 124.6744189 89502 3033122 9 312110 a-Alanine, conf. I
99461.4861 0.0576 -6.7297 3 124.6744189 89502 3033122 9 312111 a-Alanine, conf. I
99461.4861 0.0576 -6.7297 3 124.6744189 89502 303312210 312110 a-Alanine, conf. I
99461.4861 0.0576 -5.3634 3 124.6744189 89502 303312210 312111 a-Alanine, conf. I
99464.3949 0.5391 -6.7564 3 284.3618309 89502 303512428 512328 a-Alanine, conf. I
99466.9814 0.5384 -5.2664 3 284.3618309 89502 303512427 512328 a-Alanine, conf. I
99469.2650 1.1099 -5.3032 3 304.2079333 89502 303551739 551640 a-Alanine, conf. I
99475.8050 0.4968 -6.9324 3 365.6951315 89502 303523913 514012 a-Alanine, conf. I
99475.8050 0.4968 -6.9324 3 365.6951315 89502 303523914 514011 a-Alanine, conf. I
99477.3689 1.1075 -6.6576 3 304.2077333 89502 303551739 551540 a-Alanine, conf. I
99489.7486 0.5323 -5.2662 3 284.3610309 89502 303512428 512329 a-Alanine, conf. I
99492.3351 0.5315 -6.7561 3 284.3610309 89502 303512427 512329 a-Alanine, conf. I
99519.9947 0.0155 -5.6280 3 16.2507 81 89502 30313 6 7 12 5 8 a-Alanine, conf. I
99655.1710 0.0110 -4.9351 3 34.7007129 89502 30321 120 20 219 a-Alanine, conf. I
99655.1715 0.0110 -5.5304 3 34.7007129 89502 30321 220 20 219 a-Alanine, conf. I
99655.1724 0.0110 -5.5304 3 34.7007129 89502 30321 120 20 119 a-Alanine, conf. I
99655.1729 0.0110 -4.9351 3 34.7007129 89502 30321 220 20 119 a-Alanine, conf. I
99686.0603 0.0502 -5.3919 3 119.0105183 89502 3033022 8 3021 9 a-Alanine, conf. I
99686.0603 0.0502 -6.7528 3 119.0105183 89502 3033022 8 302110 a-Alanine, conf. I
99686.0603 0.0502 -6.7528 3 119.0105183 89502 3033022 9 3021 9 a-Alanine, conf. I
99686.0603 0.0502 -5.3919 3 119.0105183 89502 3033022 9 302110 a-Alanine, conf. I
99693.4123 1.1351 -5.6434 3 583.8171453 89502 303752848 752749 a-Alanine, conf. I
99700.8845 3.4828 -5.4755 3 459.8712405 89502 303672245 672146 a-Alanine, conf. I
99702.4005 0.0023 -5.2463 3 14.9987 69 89502 30311 9 3 10 8 2 a-Alanine, conf. I
99702.4174 0.0023 -6.3638 3 14.9987 69 89502 30311 9 2 10 8 2 a-Alanine, conf. I
99702.5291 0.0023 -6.3638 3 14.9987 69 89502 30311 9 3 10 8 3 a-Alanine, conf. I
99702.5460 0.0023 -5.2463 3 14.9987 69 89502 30311 9 2 10 8 3 a-Alanine, conf. I
99759.0037 0.6702 -6.5850 3 246.6693303 89502 303501337 501338 a-Alanine, conf. I
99759.3239 0.6702 -5.2748 3 246.6693303 89502 303501337 501238 a-Alanine, conf. I
99762.8188 0.6694 -5.2748 3 246.6693303 89502 303501437 501338 a-Alanine, conf. I
99763.1390 0.6693 -6.5849 3 246.6693303 89502 303501437 501238 a-Alanine, conf. I
99765.5407 0.2008 -5.3530 3 154.8620249 89502 30341 734 41 635 a-Alanine, conf. I
99765.5407 0.2008 -6.5872 3 154.8620249 89502 30341 734 41 735 a-Alanine, conf. I
99765.5415 0.2008 -5.3530 3 154.8620249 89502 30341 834 41 735 a-Alanine, conf. I
99765.5416 0.2008 -6.5872 3 154.8620249 89502 30341 834 41 635 a-Alanine, conf. I
99852.2640 0.2224 -6.1988 3 152.4944219 89502 303362116 352213 a-Alanine, conf. I
99852.2650 0.2224 -6.1988 3 152.4944219 89502 303362115 352214 a-Alanine, conf. I
99858.3095 0.1742 -5.5163 3 118.7681225 89502 30337 433 37 334 a-Alanine, conf. I
99858.3095 0.1742 -6.7177 3 118.7681225 89502 30337 433 37 434 a-Alanine, conf. I
99858.3095 0.1742 -6.7177 3 118.7681225 89502 30337 533 37 334 a-Alanine, conf. I
99858.3095 0.1742 -5.5163 3 118.7681225 89502 30337 533 37 434 a-Alanine, conf. I
99879.7544 0.0092 -5.6263 3 30.8081111 89502 30318 513 17 512 a-Alanine, conf. I
99887.2376 1.4816 -6.9377 3 396.5477369 89502 303612636 612536 a-Alanine, conf. I
99888.3528 0.0448 -5.4260 3 113.5342177 89502 3032922 7 2921 8 a-Alanine, conf. I
99888.3528 0.0448 -6.7818 3 113.5342177 89502 3032922 7 2921 9 a-Alanine, conf. I
99888.3528 0.0448 -6.7818 3 113.5342177 89502 3032922 8 2921 8 a-Alanine, conf. I
99888.3528 0.0448 -5.4260 3 113.5342177 89502 3032922 8 2921 9 a-Alanine, conf. I
99889.6233 0.0097 -5.1767 3 32.9977117 89502 30319 415 18 514 a-Alanine, conf. I
99900.2801 0.2491 -6.6696 3 210.6270261 89502 303432321 432221 a-Alanine, conf. I
99900.2910 0.2491 -5.2348 3 210.6270261 89502 303432320 432221 a-Alanine, conf. I
99900.4414 0.2491 -5.2348 3 210.6270261 89502 303432321 432222 a-Alanine, conf. I
99900.4524 0.2491 -6.6696 3 210.6270261 89502 303432320 432222 a-Alanine, conf. I
99919.3433 0.9809 -6.5810 3 122.4643213 89502 303351125 341222 a-Alanine, conf. I
99921.6731 3.3015 -5.5258 3 501.8377417 89502 303692841 692742 a-Alanine, conf. I
99925.6261 0.3226 -6.5785 3 259.8563273 89502 303453114 443213 a-Alanine, conf. I
99925.6261 0.3226 -6.5785 3 259.8563273 89502 303453115 443212 a-Alanine, conf. I
99971.9564 0.0200 -5.6990 3 34.2963111 89502 30318 910 17 9 9 a-Alanine, conf. I
99977.9780 0.0096 -5.5999 3 32.9977117 89502 30319 515 18 514 a-Alanine, conf. I
100011.3110 6.2575 -5.6246 3 562.7599447 89502 303742549 742450 a-Alanine, conf. I
100012.2989 1.4279 -5.3794 3 396.5477369 89502 303612635 612536 a-Alanine, conf. I
100014.8872 12.0697 -5.8881 3 726.0374507 89502 303842955 842856 a-Alanine, conf. I
100019.8537 2.2707 -5.6163 3 566.3385447 89502 303742748 742649 a-Alanine, conf. I
100066.0700 28.6284 -6.8340 3 1263.4272669 89502 303B13972 B13873 a-Alanine, conf. I
100070.0792 0.0418 -5.4672 3 108.2449171 89502 3032822 6 2821 7 a-Alanine, conf. I
100070.0792 0.0418 -6.8179 3 108.2449171 89502 3032822 6 2821 8 a-Alanine, conf. I
100070.0792 0.0418 -6.8179 3 108.2449171 89502 3032822 7 2821 7 a-Alanine, conf. I
100070.0792 0.0418 -5.4672 3 108.2449171 89502 3032822 7 2821 8 a-Alanine, conf. I
100073.3232 0.0161 -5.6437 3 31.9631111 89502 30318 712 17 711 a-Alanine, conf. I
100079.8572 1.3476 -6.6877 3 328.0420345 89502 303571740 571741 a-Alanine, conf. I
100083.1570 0.0037 -5.4262 3 17.1214 81 89502 30313 7 7 12 6 6 a-Alanine, conf. I
100091.2918 0.0098 -5.5988 3 32.9910117 89502 30319 415 18 414 a-Alanine, conf. I
100096.7723 1.3422 -5.3196 3 328.0414345 89502 303571740 571641 a-Alanine, conf. I
100153.7075 0.0225 -5.6974 3 34.2998111 89502 30318 9 9 17 9 8 a-Alanine, conf. I
100163.8841 6.0369 -5.6844 3 605.2062459 89502 303763046 762947 a-Alanine, conf. I
100179.6465 0.0100 -5.1739 3 32.9910117 89502 30319 515 18 414 a-Alanine, conf. I
100223.4950 1.3038 -5.3185 3 328.0420345 89502 303571840 571741 a-Alanine, conf. I
100232.8351 0.0411 -5.5174 3 103.1421165 89502 3032722 5 2721 6 a-Alanine, conf. I
100232.8351 0.0411 -6.8634 3 103.1421165 89502 3032722 5 2721 7 a-Alanine, conf. I
100232.8351 0.0411 -6.8634 3 103.1421165 89502 3032722 6 2721 6 a-Alanine, conf. I
100232.8351 0.0411 -5.5174 3 103.1421165 89502 3032722 6 2721 7 a-Alanine, conf. I
100240.4102 1.2984 -6.6864 3 328.0414345 89502 303571840 571641 a-Alanine, conf. I
100242.7181 0.0206 -6.4454 3 17.7325 87 89502 30314 410 13 310 a-Alanine, conf. I
100252.0428 0.3056 -6.5576 3 183.4620267 89502 30344 935 44 936 a-Alanine, conf. I
100252.0438 0.3056 -5.3002 3 183.4620267 89502 30344 935 44 836 a-Alanine, conf. I
100252.0621 0.3056 -5.3002 3 183.4620267 89502 303441035 44 936 a-Alanine, conf. I
100252.0631 0.3056 -6.5576 3 183.4620267 89502 303441035 44 836 a-Alanine, conf. I
100267.5260 2.9220 -6.8644 3 431.8380393 89502 303652144 652145 a-Alanine, conf. I
100279.8548 0.4620 -6.5588 3 214.0724285 89502 303471136 471137 a-Alanine, conf. I
100279.8759 0.4620 -5.2763 3 214.0724285 89502 303471136 471037 a-Alanine, conf. I
100280.1658 0.4620 -5.2763 3 214.0724285 89502 303471236 471137 a-Alanine, conf. I
100280.1869 0.4620 -6.5588 3 214.0724285 89502 303471236 471037 a-Alanine, conf. I
100300.9608 11.4675 -5.9566 3 770.1855519 89502 303863353 863254 a-Alanine, conf. I
100324.4139 0.8557 -6.8314 3 337.9924339 89502 303562532 562432 a-Alanine, conf. I
100326.7335 0.0031 -6.3770 3 17.1214 81 89502 30313 7 6 12 6 6 a-Alanine, conf. I
100344.4756 0.8485 -5.3098 3 337.9924339 89502 303562531 562432 a-Alanine, conf. I
100347.2226 0.0025 -5.3175 3 15.8556 75 89502 30312 8 5 11 7 4 a-Alanine, conf. I
100351.0441 0.0025 -6.3737 3 15.8556 75 89502 30312 8 4 11 7 4 a-Alanine, conf. I
100369.2212 0.0025 -6.3736 3 15.8549 75 89502 30312 8 5 11 7 5 a-Alanine, conf. I
100373.0426 0.0025 -5.3174 3 15.8549 75 89502 30312 8 4 11 7 5 a-Alanine, conf. I
100376.9997 0.2327 -6.2266 3 162.5309225 89502 303372216 362313 a-Alanine, conf. I
100376.9998 0.2327 -6.2266 3 162.5309225 89502 303372215 362314 a-Alanine, conf. I
100378.1095 0.0426 -5.5799 3 98.2254159 89502 3032622 4 2621 5 a-Alanine, conf. I
100378.1095 0.0426 -6.9214 3 98.2254159 89502 3032622 4 2621 6 a-Alanine, conf. I
100378.1095 0.0426 -6.9214 3 98.2254159 89502 3032622 5 2621 5 a-Alanine, conf. I
100378.1095 0.0426 -5.5799 3 98.2254159 89502 3032622 5 2621 6 a-Alanine, conf. I
100395.3229 23.3728 -6.4067 3 1027.4611603 89502 303A03565 A03466 a-Alanine, conf. I
100404.0325 0.2124 -5.9062 3 70.7928159 89502 303261115 251214 a-Alanine, conf. I
100404.7644 1.4507 -5.5545 3 528.3097429 89502 303712844 712745 a-Alanine, conf. I
100423.7041 0.0206 -5.6638 3 33.0546111 89502 30318 811 17 810 a-Alanine, conf. I
100453.5257 0.0545 -5.9296 3 69.2221159 89502 303261017 251114 a-Alanine, conf. I
100470.2498 0.4821 -6.7338 3 274.8680303 89502 303502427 502327 a-Alanine, conf. I
100471.2800 0.4818 -5.2544 3 274.8680303 89502 303502426 502327 a-Alanine, conf. I
100472.2656 2.1433 -5.4439 3 447.5992393 89502 303652738 652639 a-Alanine, conf. I
100477.0733 1.4771 -5.4571 3 459.9653399 89502 303662740 662641 a-Alanine, conf. I
100481.0463 0.4792 -5.2543 3 274.8676303 89502 303502427 502328 a-Alanine, conf. I
100482.0764 0.4789 -6.7337 3 274.8676303 89502 303502426 502328 a-Alanine, conf. I
100487.4473 0.2232 -6.6607 3 202.6863255 89502 303422320 422220 a-Alanine, conf. I
100487.4509 0.2232 -5.2338 3 202.6863255 89502 303422319 422220 a-Alanine, conf. I
100487.5036 0.2232 -5.2338 3 202.6863255 89502 303422320 422221 a-Alanine, conf. I
100487.5071 0.2232 -6.6607 3 202.6863255 89502 303422319 422221 a-Alanine, conf. I
100489.1561 0.8021 -5.3086 3 337.9869339 89502 303562532 562433 a-Alanine, conf. I
100507.2953 0.0456 -5.6602 3 93.4943153 89502 3032522 3 2521 4 a-Alanine, conf. I
100507.2953 0.0456 -5.6602 3 93.4943153 89502 3032522 4 2521 5 a-Alanine, conf. I
100509.2178 0.7949 -6.8299 3 337.9869339 89502 303562531 562433 a-Alanine, conf. I
100517.0873 2.8121 -5.4327 3 431.8296393 89502 303652144 652045 a-Alanine, conf. I
100565.6566 1.6101 -6.7226 3 352.7250357 89502 303591841 591842 a-Alanine, conf. I
100573.7934 0.3412 -6.6099 3 273.0885279 89502 303463214 453313 a-Alanine, conf. I
100573.7934 0.3412 -6.6099 3 273.0885279 89502 303463215 453312 a-Alanine, conf. I
100600.0336 1.5980 -5.3402 3 352.7238357 89502 303591841 591742 a-Alanine, conf. I
100621.6990 0.0498 -5.7685 3 88.9485147 89502 3032422 2 2421 3 a-Alanine, conf. I
100621.6990 0.0498 -5.7685 3 88.9485147 89502 3032422 3 2421 4 a-Alanine, conf. I
100637.5380 8.8222 -5.7453 3 641.8692477 89502 303792752 792653 a-Alanine, conf. I
100678.9169 0.0854 -6.2870 3 82.6302171 89502 303281216 28 919 a-Alanine, conf. I
100722.5478 0.0546 -5.9279 3 84.5876141 89502 3032322 1 2321 2 a-Alanine, conf. I
100722.5478 0.0546 -5.9279 3 84.5876141 89502 3032322 2 2321 3 a-Alanine, conf. I
100742.4165 2.3581 -6.8102 3 404.6260381 89502 303632043 632044 a-Alanine, conf. I
100746.3991 0.1997 -5.6121 3 109.4664219 89502 30336 333 36 234 a-Alanine, conf. I
100746.3991 0.1997 -6.8030 3 109.4664219 89502 30336 333 36 334 a-Alanine, conf. I
100746.3991 0.1997 -6.8030 3 109.4664219 89502 30336 433 36 234 a-Alanine, conf. I
100746.3991 0.1997 -5.6121 3 109.4664219 89502 30336 433 36 334 a-Alanine, conf. I
100749.7058 1.1534 -5.3731 3 396.5189369 89502 303612636 612537 a-Alanine, conf. I
100808.6739 1.9368 -6.7633 3 378.2540369 89502 303611942 611943 a-Alanine, conf. I
100810.9969 0.0597 -6.2120 3 80.4111135 89502 3032222 0 2221 1 a-Alanine, conf. I
100810.9969 0.0597 -6.2120 3 80.4111135 89502 3032222 1 2221 2 a-Alanine, conf. I
100838.2483 1.5201 -5.3382 3 352.7250357 89502 303591941 591842 a-Alanine, conf. I
100872.6253 1.5081 -6.7201 3 352.7238357 89502 303591941 591742 a-Alanine, conf. I
100874.3135 2.3040 -5.3963 3 404.6216381 89502 303632043 631944 a-Alanine, conf. I
100874.7672 1.1008 -6.9296 3 396.5189369 89502 303612635 612537 a-Alanine, conf. I
100876.8136 1.9109 -5.3657 3 378.2517369 89502 303611942 611843 a-Alanine, conf. I
100922.9144 0.2435 -6.2548 3 172.9055231 89502 303382315 372414 a-Alanine, conf. I
100922.9144 0.2435 -6.2548 3 172.9055231 89502 303382316 372413 a-Alanine, conf. I
100929.0851 0.1787 -5.3877 3 144.6414243 89502 30340 634 40 535 a-Alanine, conf. I
100929.0851 0.1787 -6.6098 3 144.6414243 89502 30340 634 40 635 a-Alanine, conf. I
100929.0852 0.1787 -6.6098 3 144.6414243 89502 30340 734 40 535 a-Alanine, conf. I
100929.0852 0.1787 -5.3877 3 144.6414243 89502 30340 734 40 635 a-Alanine, conf. I
100951.7506 0.8063 -6.5986 3 268.3477315 89502 303521438 521439 a-Alanine, conf. I
100952.5010 0.8061 -5.2766 3 268.3477315 89502 303521438 521339 a-Alanine, conf. I
100960.0290 0.8043 -5.2765 3 268.3477315 89502 303521538 521439 a-Alanine, conf. I
100960.7794 0.8041 -6.5985 3 268.3477315 89502 303521538 521339 a-Alanine, conf. I
101024.9312 0.1996 -6.6538 3 194.9397249 89502 303412319 412219 a-Alanine, conf. I
101024.9324 0.1996 -5.2345 3 194.9397249 89502 303412318 412219 a-Alanine, conf. I
101024.9501 0.1996 -5.2345 3 194.9397249 89502 303412319 412220 a-Alanine, conf. I
101024.9512 0.1996 -6.6538 3 194.9397249 89502 303412318 412220 a-Alanine, conf. I
101043.2696 24.4008 -6.7551 3 1224.2836657 89502 303A94069 A93970 a-Alanine, conf. I
101049.0002 0.0037 -6.3732 3 17.0892 81 89502 30313 7 7 12 6 7 a-Alanine, conf. I
101059.8683 1.8239 -6.8548 3 228.8675291 89502 303481435 471532 a-Alanine, conf. I
101100.2375 0.0188 -5.4892 3 35.9500135 89502 30322 022 21 021 a-Alanine, conf. I
101100.2375 0.0188 -4.8623 3 35.9500135 89502 30322 022 21 121 a-Alanine, conf. I
101100.2375 0.0188 -4.8623 3 35.9500135 89502 30322 122 21 021 a-Alanine, conf. I
101100.2375 0.0188 -5.4892 3 35.9500135 89502 30322 122 21 121 a-Alanine, conf. I
101180.4745 17.6046 -6.1259 3 870.3970555 89502 303923260 923161 a-Alanine, conf. I
101196.2491 1.8969 -5.6565 3 598.1223459 89502 303762849 762750 a-Alanine, conf. I
101225.1861 0.3612 -6.6419 3 286.6578285 89502 303473314 463413 a-Alanine, conf. I
101225.1861 0.3612 -6.6419 3 286.6578285 89502 303473315 463412 a-Alanine, conf. I
101275.0701 1.3508 -6.6659 3 151.9216237 89502 303391228 381325 a-Alanine, conf. I
101283.2759 19.6547 -6.3754 3 1014.3615597 89502 303993762 993663 a-Alanine, conf. I
101292.5767 0.0048 -5.4207 3 17.0892 81 89502 30313 7 6 12 6 7 a-Alanine, conf. I
101313.4043 1.7576 -5.3620 3 378.2540369 89502 303612042 611943 a-Alanine, conf. I
101330.2532 0.0098 -5.0540 3 34.8730123 89502 30320 317 19 416 a-Alanine, conf. I
101332.2713 0.0099 -5.5591 3 34.8730123 89502 30320 417 19 416 a-Alanine, conf. I
101335.4523 0.0099 -5.5590 3 34.8728123 89502 30320 317 19 316 a-Alanine, conf. I
101337.4704 0.0099 -5.0539 3 34.8728123 89502 30320 417 19 316 a-Alanine, conf. I
101381.5440 1.7318 -6.7586 3 378.2517369 89502 303612042 611843 a-Alanine, conf. I
101383.4806 0.4329 -6.7136 3 265.5747297 89502 303492426 492326 a-Alanine, conf. I
101383.8784 0.4328 -5.2441 3 265.5747297 89502 303492425 492326 a-Alanine, conf. I
101387.9368 0.4318 -5.2440 3 265.5746297 89502 303492426 492327 a-Alanine, conf. I
101388.3345 0.4317 -6.7136 3 265.5746297 89502 303492425 492327 a-Alanine, conf. I
101400.7587 1.3836 -6.8111 3 220.1968285 89502 303471334 461631 a-Alanine, conf. I
101486.3760 0.2549 -6.2833 3 183.6180237 89502 303392415 382514 a-Alanine, conf. I
101486.3760 0.2549 -6.2833 3 183.6180237 89502 303392416 382513 a-Alanine, conf. I
101517.0094 0.1781 -6.6491 3 187.3865243 89502 303402318 402218 a-Alanine, conf. I
101517.0098 0.1781 -5.2370 3 187.3865243 89502 303402317 402218 a-Alanine, conf. I
101517.0155 0.1781 -5.2370 3 187.3865243 89502 303402318 402219 a-Alanine, conf. I
101517.0158 0.1781 -6.6491 3 187.3865243 89502 303402317 402219 a-Alanine, conf. I
101556.0064 0.2318 -5.7600 3 100.3913213 89502 30335 233 35 134 a-Alanine, conf. I
101556.0064 0.2318 -5.7600 3 100.3913213 89502 30335 333 35 234 a-Alanine, conf. I
101636.4070 0.2515 -6.5605 3 172.5576261 89502 30343 835 43 836 a-Alanine, conf. I
101636.4071 0.2515 -5.3163 3 172.5576261 89502 30343 835 43 736 a-Alanine, conf. I
101636.4096 0.2515 -5.3163 3 172.5576261 89502 30343 935 43 836 a-Alanine, conf. I
101636.4098 0.2515 -6.5605 3 172.5576261 89502 30343 935 43 736 a-Alanine, conf. I
101654.5940 2.0121 -5.3898 3 404.6260381 89502 303632143 632044 a-Alanine, conf. I
101670.4144 0.7495 -6.8010 3 327.5228333 89502 303552531 552431 a-Alanine, conf. I
101679.0922 0.7465 -5.2916 3 327.5228333 89502 303552530 552431 a-Alanine, conf. I
101725.3555 0.0342 -5.6517 3 33.0906111 89502 30318 810 17 8 9 a-Alanine, conf. I
101734.9221 0.5666 -6.5615 3 234.4344297 89502 303491237 491238 a-Alanine, conf. I
101734.9771 0.5666 -5.2680 3 234.4344297 89502 303491237 491138 a-Alanine, conf. I
101735.6638 0.5664 -5.2680 3 234.4344297 89502 303491337 491238 a-Alanine, conf. I
101735.7188 0.5664 -6.5615 3 234.4344297 89502 303491337 491138 a-Alanine, conf. I
101746.5798 0.7252 -5.2910 3 327.5202333 89502 303552531 552432 a-Alanine, conf. I
101755.2576 0.7222 -6.8003 3 327.5202333 89502 303552530 552432 a-Alanine, conf. I
101772.0927 0.0207 -5.3337 3 30.8081111 89502 30318 613 17 512 a-Alanine, conf. I
101786.4910 1.9583 -6.8017 3 404.6216381 89502 303632143 631944 a-Alanine, conf. I
101794.1198 1.6395 -5.5262 3 514.9023423 89502 303702843 702744 a-Alanine, conf. I
101823.1278 0.7617 -5.6562 3 601.4978459 89502 303762948 762849 a-Alanine, conf. I
101846.8672 1.2263 -6.8965 3 385.0854363 89502 303602635 602535 a-Alanine, conf. I
101876.2885 2.2748 -5.4214 3 431.8380393 89502 303652244 652145 a-Alanine, conf. I
101879.3221 0.3827 -6.6745 3 300.5640291 89502 303483414 473513 a-Alanine, conf. I
101879.3221 0.3827 -6.6745 3 300.5640291 89502 303483415 473512 a-Alanine, conf. I
101905.1571 1.2018 -5.3533 3 385.0854363 89502 303602634 602535 a-Alanine, conf. I
101928.5116 0.3837 -6.5475 3 202.4961279 89502 303461036 461037 a-Alanine, conf. I
101928.5147 0.3837 -5.2797 3 202.4961279 89502 303461036 46 937 a-Alanine, conf. I
101928.5632 0.3837 -5.2797 3 202.4961279 89502 303461136 461037 a-Alanine, conf. I
101928.5663 0.3837 -6.5475 3 202.4961279 89502 303461136 46 937 a-Alanine, conf. I
101967.4479 0.1583 -6.6465 3 180.0258237 89502 303392317 392217 a-Alanine, conf. I
101967.4480 0.1583 -5.2414 3 180.0258237 89502 303392316 392217 a-Alanine, conf. I
101967.4498 0.1583 -5.2414 3 180.0258237 89502 303392317 392218 a-Alanine, conf. I
101967.4499 0.1583 -6.6465 3 180.0258237 89502 303392316 392218 a-Alanine, conf. I
101980.3603 0.7147 -5.6781 3 616.0317465 89502 303772949 772850 a-Alanine, conf. I
101989.2875 0.1769 -5.4356 3 134.6397237 89502 30339 534 39 435 a-Alanine, conf. I
101989.2875 0.1769 -6.6464 3 134.6397237 89502 30339 534 39 535 a-Alanine, conf. I
101989.2875 0.1769 -6.6464 3 134.6397237 89502 30339 634 39 435 a-Alanine, conf. I
101989.2875 0.1769 -5.4356 3 134.6397237 89502 30339 634 39 535 a-Alanine, conf. I
102005.3732 2.5304 -5.4564 3 459.8866405 89502 303672345 672246 a-Alanine, conf. I
102020.6484 0.9626 -6.6175 3 290.8840327 89502 303541539 541540 a-Alanine, conf. I
102022.3466 0.9621 -5.2834 3 290.8839327 89502 303541539 541440 a-Alanine, conf. I
102038.0607 0.9578 -5.2832 3 290.8840327 89502 303541639 541540 a-Alanine, conf. I
102039.7589 0.9574 -6.6174 3 290.8839327 89502 303541639 541440 a-Alanine, conf. I
102055.1735 0.0183 -5.2778 3 34.2029117 89502 30319 514 18 613 a-Alanine, conf. I
102060.5503 0.1868 -6.3826 3 77.3062165 89502 303271215 27 918 a-Alanine, conf. I
102064.4965 0.2669 -6.3121 3 194.6682243 89502 303402515 392614 a-Alanine, conf. I
102064.4965 0.2669 -6.3121 3 194.6682243 89502 303402516 392613 a-Alanine, conf. I
102084.6481 2.7559 -5.4945 3 488.7689417 89502 303692446 692347 a-Alanine, conf. I
102099.4788 0.4609 -6.2925 3 90.3062183 89502 303301021 291118 a-Alanine, conf. I
102125.8498 2.1656 -6.8492 3 431.8296393 89502 303652244 652045 a-Alanine, conf. I
102139.8974 1.4453 -5.4300 3 447.5329393 89502 303652739 652640 a-Alanine, conf. I
102175.3147 2.9206 -5.5351 3 518.4819429 89502 303712547 712448 a-Alanine, conf. I
102216.4891 0.3898 -6.6956 3 256.4807291 89502 303482425 482325 a-Alanine, conf. I
102216.6379 0.3898 -5.2353 3 256.4807291 89502 303482424 482325 a-Alanine, conf. I
102216.8435 4.9756 -5.5624 3 531.8246435 89502 303722448 722349 a-Alanine, conf. I
102218.2710 0.3894 -5.2353 3 256.4807291 89502 303482425 482326 a-Alanine, conf. I
102218.4197 0.3893 -6.6956 3 256.4807291 89502 303482424 482326 a-Alanine, conf. I
102278.0968 1.0634 -5.3502 3 385.0710363 89502 303602635 602536 a-Alanine, conf. I
102294.3142 0.2669 -6.0336 3 91.5453207 89502 30334 133 34 034 a-Alanine, conf. I
102294.3142 0.2669 -6.0336 3 91.5453207 89502 30334 233 34 134 a-Alanine, conf. I
102296.6483 7.1197 -5.7464 3 652.9255477 89502 303793148 793049 a-Alanine, conf. I
102297.7428 13.0914 -6.0345 3 823.8272537 89502 303893455 893356 a-Alanine, conf. I
102303.1483 1.2257 -5.6309 3 587.1425453 89502 303752947 752848 a-Alanine, conf. I
102336.3867 1.0392 -6.8925 3 385.0710363 89502 303602634 602536 a-Alanine, conf. I
102347.1589 0.9152 -6.7741 3 181.0490255 89502 303421428 411725 a-Alanine, conf. I
102347.4288 3.9815 -5.5746 3 545.3893435 89502 303722943 722844 a-Alanine, conf. I
102357.2659 2.9872 -5.5776 3 549.0231441 89502 303732648 732549 a-Alanine, conf. I
102379.5768 0.1734 -6.2444 3 88.0794177 89502 303291217 29 920 a-Alanine, conf. I
102379.5944 0.1402 -5.2478 3 172.8569231 89502 303382315 382216 a-Alanine, conf. I
102379.5944 0.1402 -6.6463 3 172.8569231 89502 303382316 382216 a-Alanine, conf. I
102379.5950 0.1402 -6.6463 3 172.8569231 89502 303382315 382217 a-Alanine, conf. I
102379.5950 0.1402 -5.2478 3 172.8569231 89502 303382316 382217 a-Alanine, conf. I
102467.1937 2.3150 -6.9010 3 459.8712405 89502 303672345 672146 a-Alanine, conf. I
102535.7811 0.4058 -6.7075 3 314.8070297 89502 303493514 483613 a-Alanine, conf. I
102535.7811 0.4058 -6.7075 3 314.8070297 89502 303493515 483612 a-Alanine, conf. I
102605.6827 0.0124 -6.6522 3 9.7585 69 89502 30311 3 8 10 2 9 a-Alanine, conf. I
102654.9486 0.2796 -6.3414 3 206.0561249 89502 303412615 402714 a-Alanine, conf. I
102654.9486 0.2796 -6.3414 3 206.0561249 89502 303412616 402713 a-Alanine, conf. I
102718.5150 26.0061 -6.5019 3 1089.1308621 89502 303A33667 A33568 a-Alanine, conf. I
102726.0772 2.9174 -5.6215 3 580.3905453 89502 303752749 752650 a-Alanine, conf. I
102739.8084 0.0100 -4.9596 3 36.5442129 89502 30321 219 20 318 a-Alanine, conf. I
102739.8333 0.0100 -5.5182 3 36.5442129 89502 30321 319 20 318 a-Alanine, conf. I
102739.8783 0.0100 -5.5182 3 36.5442129 89502 30321 219 20 218 a-Alanine, conf. I
102739.9032 0.0100 -4.9596 3 36.5442129 89502 30321 319 20 218 a-Alanine, conf. I
102756.4487 0.1236 -5.2563 3 165.8792225 89502 303372314 372215 a-Alanine, conf. I
102756.4487 0.1236 -6.6485 3 165.8792225 89502 303372315 372215 a-Alanine, conf. I
102756.4488 0.1236 -6.6485 3 165.8792225 89502 303372314 372216 a-Alanine, conf. I
102756.4488 0.1236 -5.2563 3 165.8792225 89502 303372315 372216 a-Alanine, conf. I
102762.1783 0.2608 -6.9204 3 48.8617135 89502 30322 814 22 517 a-Alanine, conf. I
102762.6387 0.0113 -6.4306 3 17.7617 87 89502 30314 510 13 410 a-Alanine, conf. I
102847.6195 1.3842 -5.6962 3 630.7353471 89502 303782950 782851 a-Alanine, conf. I
102868.2562 0.6655 -6.7734 3 317.2587327 89502 303542530 542430 a-Alanine, conf. I
102871.9049 0.6642 -5.2753 3 317.2587327 89502 303542529 542430 a-Alanine, conf. I
102895.8038 0.2127 -5.3407 3 161.8663255 89502 30342 735 42 636 a-Alanine, conf. I
102895.8038 0.2127 -6.5725 3 161.8663255 89502 30342 735 42 736 a-Alanine, conf. I
102895.8042 0.2127 -6.5725 3 161.8663255 89502 30342 835 42 636 a-Alanine, conf. I
102895.8042 0.2127 -5.3407 3 161.8663255 89502 30342 835 42 736 a-Alanine, conf. I
102899.4598 1.6552 -6.7264 3 184.4629261 89502 303431331 421428 a-Alanine, conf. I
102902.4381 0.6548 -5.2751 3 317.2576327 89502 303542530 542431 a-Alanine, conf. I
102906.0868 0.6535 -6.7731 3 317.2576327 89502 303542529 542431 a-Alanine, conf. I
102909.9492 1.7423 -5.4111 3 435.3428387 89502 303642737 642638 a-Alanine, conf. I
102955.2875 1.1428 -6.6415 3 314.2755339 89502 303561640 561641 a-Alanine, conf. I
102956.9206 0.1931 -5.5023 3 124.8599231 89502 30338 434 38 335 a-Alanine, conf. I
102956.9206 0.1931 -6.7024 3 124.8599231 89502 30338 434 38 435 a-Alanine, conf. I
102956.9206 0.1931 -6.7024 3 124.8599231 89502 30338 534 38 335 a-Alanine, conf. I
102956.9206 0.1931 -5.5023 3 124.8599231 89502 30338 534 38 435 a-Alanine, conf. I
102959.0111 1.1416 -5.2949 3 314.2753339 89502 303561640 561541 a-Alanine, conf. I
102978.6142 0.3514 -6.6796 3 247.5847285 89502 303472424 472324 a-Alanine, conf. I
102978.6681 0.3514 -5.2281 3 247.5847285 89502 303472423 472324 a-Alanine, conf. I
102979.3041 0.3513 -5.2281 3 247.5846285 89502 303472424 472325 a-Alanine, conf. I
102979.3579 0.3512 -6.6796 3 247.5846285 89502 303472423 472325 a-Alanine, conf. I
102990.8758 1.1321 -5.2947 3 314.2755339 89502 303561740 561641 a-Alanine, conf. I
102994.5994 1.1309 -6.6412 3 314.2753339 89502 303561740 561541 a-Alanine, conf. I
103014.1146 0.0111 -5.5845 3 34.2029117 89502 30319 614 18 613 a-Alanine, conf. I
103046.6096 0.0363 -6.8957 3 48.0153135 89502 30322 715 21 813 a-Alanine, conf. I
103085.7296 0.6866 -6.5700 3 255.6596309 89502 303511338 511339 a-Alanine, conf. I
103085.8664 0.6866 -5.2653 3 255.6596309 89502 303511338 511239 a-Alanine, conf. I
103087.4315 0.6862 -5.2653 3 255.6596309 89502 303511438 511339 a-Alanine, conf. I
103087.5683 0.6862 -6.5700 3 255.6596309 89502 303511438 511239 a-Alanine, conf. I
103100.7170 0.1084 -5.2673 3 159.0919219 89502 303362313 362214 a-Alanine, conf. I
103100.7170 0.1084 -6.6532 3 159.0919219 89502 303362314 362214 a-Alanine, conf. I
103100.7171 0.1084 -6.6532 3 159.0919219 89502 303362313 362215 a-Alanine, conf. I
103100.7171 0.1084 -5.2673 3 159.0919219 89502 303362314 362215 a-Alanine, conf. I
103154.8327 2.6042 -5.4842 3 488.7733411 89502 303682840 682741 a-Alanine, conf. I
103194.1950 0.4306 -6.7412 3 329.3869303 89502 303503614 493713 a-Alanine, conf. I
103194.1950 0.4306 -6.7412 3 329.3869303 89502 303503615 493712 a-Alanine, conf. I
103239.2727 0.1125 -5.8768 3 75.6502165 89502 303271117 261214 a-Alanine, conf. I
103255.8349 0.2929 -6.3710 3 217.7815255 89502 303422715 412814 a-Alanine, conf. I
103255.8349 0.2929 -6.3710 3 217.7815255 89502 303422716 412813 a-Alanine, conf. I
103264.9653 0.0105 -6.5279 3 16.7757 87 89502 30314 311 13 211 a-Alanine, conf. I
103303.7505 1.6173 -5.6030 3 572.9742447 89502 303742946 742847 a-Alanine, conf. I
103317.7819 0.3339 -6.7167 3 58.7730147 89502 30324 915 24 618 a-Alanine, conf. I
103386.1575 2.6786 -5.6660 3 612.5831465 89502 303772850 772751 a-Alanine, conf. I
103390.1916 0.0229 -6.5566 3 56.3799117 89502 3031918 1 1818 0 a-Alanine, conf. I
103390.1916 0.0229 -6.5566 3 56.3799117 89502 3031918 2 1818 1 a-Alanine, conf. I
103393.7145 13.5743 -5.9527 3 778.2068525 89502 303873057 872958 a-Alanine, conf. I
103399.8815 1.7086 -5.4972 3 501.6962417 89502 303692842 692743 a-Alanine, conf. I
103414.8557 0.0946 -5.2808 3 152.4944213 89502 303352312 352213 a-Alanine, conf. I
103414.8557 0.0946 -6.6609 3 152.4944213 89502 303352312 352214 a-Alanine, conf. I
103414.8557 0.0946 -6.6609 3 152.4944213 89502 303352313 352213 a-Alanine, conf. I
103414.8557 0.0946 -5.2808 3 152.4944213 89502 303352313 352214 a-Alanine, conf. I
103422.5306 0.3167 -6.5433 3 191.1263273 89502 30345 936 45 937 a-Alanine, conf. I
103422.5310 0.3167 -5.2891 3 191.1263273 89502 30345 936 45 837 a-Alanine, conf. I
103422.5383 0.3167 -5.2891 3 191.1263273 89502 303451036 45 937 a-Alanine, conf. I
103422.5387 0.3167 -6.5433 3 191.1263273 89502 303451036 45 837 a-Alanine, conf. I
103484.0421 0.0190 -6.2610 3 53.6432117 89502 3031917 2 1817 1 a-Alanine, conf. I
103484.0421 0.0190 -6.2610 3 53.6432117 89502 3031917 3 1817 2 a-Alanine, conf. I
103492.2837 0.0093 -6.3636 3 18.6354 87 89502 30314 6 9 13 5 9 a-Alanine, conf. I
103503.1922 1.0480 -6.8600 3 373.8371357 89502 303592634 592534 a-Alanine, conf. I
103512.3165 0.4755 -6.5445 3 222.3984291 89502 303481137 481138 a-Alanine, conf. I
103512.3251 0.4755 -5.2662 3 222.3984291 89502 303481137 481038 a-Alanine, conf. I
103512.4480 0.4755 -5.2662 3 222.3984291 89502 303481237 481138 a-Alanine, conf. I
103512.4565 0.4755 -6.5445 3 222.3984291 89502 303481237 481038 a-Alanine, conf. I
103528.4218 21.9064 -6.4703 3 1075.6161615 89502 303A23864 A23765 a-Alanine, conf. I
103529.6313 1.0371 -5.3303 3 373.8371357 89502 303592633 592534 a-Alanine, conf. I
103582.8833 27.2972 -6.8620 3 1291.3089675 89502 303B24171 B24072 a-Alanine, conf. I
103596.8735 0.0157 -6.0909 3 51.0663117 89502 3031916 3 1816 2 a-Alanine, conf. I
103596.8735 0.0157 -6.0909 3 51.0663117 89502 3031916 4 1816 3 a-Alanine, conf. I
103611.2291 0.0089 -6.5252 3 16.7779 87 89502 30314 411 13 311 a-Alanine, conf. I
103676.3013 3.9863 -5.5086 3 501.7086423 89502 303702347 702248 a-Alanine, conf. I
103677.2627 0.3169 -6.6656 3 238.8855279 89502 303462423 462323 a-Alanine, conf. I
103677.2815 0.3169 -5.2225 3 238.8855279 89502 303462422 462323 a-Alanine, conf. I
103677.5210 0.3169 -5.2225 3 238.8855279 89502 303462423 462324 a-Alanine, conf. I
103677.5398 0.3169 -6.6656 3 238.8855279 89502 303462422 462324 a-Alanine, conf. I
103691.1784 0.0149 -6.2753 3 21.6690 93 89502 30315 6 9 14 5 9 a-Alanine, conf. I
103701.1063 0.0822 -5.2973 3 146.0863207 89502 303342311 342212 a-Alanine, conf. I
103701.1063 0.0822 -6.6717 3 146.0863207 89502 303342311 342213 a-Alanine, conf. I
103701.1063 0.0822 -6.6717 3 146.0863207 89502 303342312 342212 a-Alanine, conf. I
103701.1063 0.0822 -5.2973 3 146.0863207 89502 303342312 342213 a-Alanine, conf. I
103712.3385 0.9700 -5.3288 3 373.8302357 89502 303592634 592535 a-Alanine, conf. I
103734.1935 0.0135 -5.9723 3 48.6499117 89502 3031915 4 1815 3 a-Alanine, conf. I
103734.1935 0.0135 -5.9723 3 48.6499117 89502 3031915 5 1815 4 a-Alanine, conf. I
103738.7776 0.9591 -6.8581 3 373.8302357 89502 303592633 592535 a-Alanine, conf. I
103741.5138 1.3521 -6.6706 3 338.5195351 89502 303581741 581742 a-Alanine, conf. I
103749.4459 1.3494 -5.3111 3 338.5193351 89502 303581741 581642 a-Alanine, conf. I
103793.3422 1.2511 -6.7487 3 211.6047279 89502 303461333 451630 a-Alanine, conf. I
103796.3385 1.3683 -5.4038 3 435.3080387 89502 303642738 642639 a-Alanine, conf. I
103797.7814 1.5245 -6.8562 3 199.3319267 89502 303441529 431826 a-Alanine, conf. I
103802.9699 7.0727 -5.6706 3 608.8847465 89502 303772651 772552 a-Alanine, conf. I
103805.9686 0.2864 -6.6472 3 171.1743249 89502 303411328 401625 a-Alanine, conf. I
103812.3339 1.3289 -5.3106 3 338.5195351 89502 303581841 581742 a-Alanine, conf. I
103820.2660 1.3262 -6.6700 3 338.5193351 89502 303581841 581642 a-Alanine, conf. I
103841.0643 0.2210 -5.5980 3 115.3044225 89502 30337 334 37 235 a-Alanine, conf. I
103841.0643 0.2210 -6.7879 3 115.3044225 89502 30337 334 37 335 a-Alanine, conf. I
103841.0643 0.2210 -6.7879 3 115.3044225 89502 30337 434 37 235 a-Alanine, conf. I
103841.0643 0.2210 -5.5980 3 115.3044225 89502 30337 434 37 335 a-Alanine, conf. I
103854.2396 0.4571 -6.7753 3 344.3034309 89502 303513714 503813 a-Alanine, conf. I
103854.2396 0.4571 -6.7753 3 344.3034309 89502 303513715 503812 a-Alanine, conf. I
103865.5915 0.3071 -6.4012 3 229.8444261 89502 303432815 422914 a-Alanine, conf. I
103865.5915 0.3071 -6.4012 3 229.8444261 89502 303432816 422913 a-Alanine, conf. I
103903.7990 0.0127 -5.8823 3 46.3950117 89502 3031914 6 1814 5 a-Alanine, conf. I
103903.7992 0.0127 -5.8823 3 46.3950117 89502 3031914 5 1814 4 a-Alanine, conf. I
103947.5117 0.0108 -5.5749 3 34.1397117 89502 30319 514 18 513 a-Alanine, conf. I
103947.9217 0.5959 -6.7484 3 307.1980321 89502 303532529 532429 a-Alanine, conf. I
103949.4124 0.5954 -5.2609 3 307.1980321 89502 303532528 532429 a-Alanine, conf. I
103961.5249 0.0713 -5.3171 3 139.8668201 89502 303332310 332211 a-Alanine, conf. I
103961.5249 0.0713 -6.6861 3 139.8668201 89502 303332310 332212 a-Alanine, conf. I
103961.5249 0.0713 -6.6861 3 139.8668201 89502 303332311 332211 a-Alanine, conf. I
103961.5249 0.0713 -5.3171 3 139.8668201 89502 303332311 332212 a-Alanine, conf. I
103962.8154 0.5913 -5.2608 3 307.1975321 89502 303532529 532430 a-Alanine, conf. I
103964.3062 0.5908 -6.7482 3 307.1975321 89502 303532528 532430 a-Alanine, conf. I
103972.2707 0.0763 -5.9421 3 74.1419165 89502 303271018 261115 a-Alanine, conf. I
103976.2189 0.3929 -6.5356 3 69.5460159 89502 303261016 26 719 a-Alanine, conf. I
103998.8685 0.0183 -5.5867 3 31.5227111 89502 30318 612 17 611 a-Alanine, conf. I
104044.6273 0.1930 -5.3752 3 151.3914249 89502 30341 635 41 536 a-Alanine, conf. I
104044.6273 0.1930 -6.5954 3 151.3914249 89502 30341 635 41 636 a-Alanine, conf. I
104044.6273 0.1930 -6.5954 3 151.3914249 89502 30341 735 41 536 a-Alanine, conf. I
104044.6273 0.1930 -5.3752 3 151.3914249 89502 30341 735 41 636 a-Alanine, conf. I
104060.8237 0.1848 -6.8455 3 52.2895135 89502 303221111 22 814 a-Alanine, conf. I
104063.1200 0.1560 -5.8773 3 82.4451171 89502 303281217 271314 a-Alanine, conf. I
104083.1694 0.1921 -5.9226 3 97.0859183 89502 303301417 291514 a-Alanine, conf. I
104087.5457 0.2006 -5.9498 3 104.9226189 89502 303311517 301614 a-Alanine, conf. I
104093.3975 19.7306 -6.2058 3 927.3376573 89502 303953362 953263 a-Alanine, conf. I
104117.1337 0.0135 -5.8103 3 44.3031117 89502 3031913 7 1813 6 a-Alanine, conf. I
104117.1398 0.0135 -5.8103 3 44.3031117 89502 3031913 6 1813 5 a-Alanine, conf. I
104133.4694 0.2037 -5.9493 3 104.9226189 89502 303311516 301615 a-Alanine, conf. I
104141.4908 1.9165 -6.8967 3 268.2413315 89502 303521438 511735 a-Alanine, conf. I
104146.3005 0.1795 -5.8969 3 89.5925177 89502 303291317 281414 a-Alanine, conf. I
104177.2862 0.0130 -4.8804 3 38.0248135 89502 30322 121 21 220 a-Alanine, conf. I
104177.2864 0.0130 -5.4780 3 38.0248135 89502 30322 221 21 220 a-Alanine, conf. I
104177.2867 0.0130 -5.4780 3 38.0248135 89502 30322 121 21 120 a-Alanine, conf. I
104177.2868 0.0130 -4.8804 3 38.0248135 89502 30322 221 21 120 a-Alanine, conf. I
104198.0054 0.0622 -5.3408 3 133.8356195 89502 3033223 9 322210 a-Alanine, conf. I
104198.0054 0.0622 -6.7045 3 133.8356195 89502 3033223 9 322211 a-Alanine, conf. I
104198.0054 0.0622 -6.7045 3 133.8356195 89502 303322310 322210 a-Alanine, conf. I
104198.0054 0.0622 -5.3408 3 133.8356195 89502 303322310 322211 a-Alanine, conf. I
104203.7081 0.2083 -5.9773 3 113.1010195 89502 303321617 311714 a-Alanine, conf. I
104214.3000 0.2092 -5.9772 3 113.1010195 89502 303321616 311715 a-Alanine, conf. I
104255.0961 9.9335 -5.8007 3 691.0230495 89502 303822854 822755 a-Alanine, conf. I
104260.1501 0.0236 -6.3143 3 12.4900 75 89502 30312 4 8 11 3 9 a-Alanine, conf. I
104268.7390 0.2028 -5.9209 3 97.0857183 89502 303301416 291515 a-Alanine, conf. I
104271.3735 0.0382 -5.5985 3 32.1731111 89502 30318 711 17 710 a-Alanine, conf. I
104305.6604 3.3610 -6.8974 3 472.4265411 89502 303682246 682247 a-Alanine, conf. I
104318.5440 0.2857 -6.6535 3 230.3821273 89502 303452422 452322 a-Alanine, conf. I
104318.5504 0.2857 -5.2184 3 230.3821273 89502 303452421 452322 a-Alanine, conf. I
104318.6375 0.2857 -5.2184 3 230.3821273 89502 303452422 452323 a-Alanine, conf. I
104318.6438 0.2857 -6.6535 3 230.3821273 89502 303452421 452323 a-Alanine, conf. I
104327.0670 0.8239 -6.5840 3 277.7457321 89502 303531439 531440 a-Alanine, conf. I
104327.3943 0.8239 -5.2680 3 277.7457321 89502 303531439 531340 a-Alanine, conf. I
104329.9109 0.0068 -5.4182 3 19.5704 87 89502 30314 7 8 13 6 7 a-Alanine, conf. I
104330.8395 0.8229 -5.2680 3 277.7457321 89502 303531539 531440 a-Alanine, conf. I
104331.1667 0.8228 -6.5840 3 277.7457321 89502 303531539 531340 a-Alanine, conf. I
104359.3726 1.5986 -6.7047 3 363.6134363 89502 303601842 601843 a-Alanine, conf. I
104362.1328 14.8562 -6.1166 3 879.2402555 89502 303923557 923458 a-Alanine, conf. I
104375.8241 1.5925 -5.3318 3 363.6128363 89502 303601842 601743 a-Alanine, conf. I
104391.7694 0.0155 -5.7509 3 42.3764117 89502 3031912 8 1812 7 a-Alanine, conf. I
104391.9321 0.0155 -5.7509 3 42.3764117 89502 3031912 7 1812 6 a-Alanine, conf. I
104405.3354 0.0028 -5.1519 3 16.3220 69 89502 3031110 2 10 9 1 a-Alanine, conf. I
104405.3356 0.0028 -6.2934 3 16.3220 69 89502 3031110 1 10 9 1 a-Alanine, conf. I
104405.3372 0.0028 -6.2934 3 16.3220 69 89502 3031110 2 10 9 2 a-Alanine, conf. I
104405.3373 0.0028 -5.1519 3 16.3220 69 89502 3031110 1 10 9 2 a-Alanine, conf. I
104412.3002 0.0549 -5.3691 3 127.9921189 89502 3033123 8 3122 9 a-Alanine, conf. I
104412.3002 0.0549 -6.7278 3 127.9921189 89502 3033123 8 312210 a-Alanine, conf. I
104412.3002 0.0549 -6.7278 3 127.9921189 89502 3033123 9 3122 9 a-Alanine, conf. I
104412.3002 0.0549 -5.3691 3 127.9921189 89502 3033123 9 312210 a-Alanine, conf. I
104421.4211 0.2165 -6.0048 3 121.6201201 89502 303331717 321814 a-Alanine, conf. I
104423.7214 0.2167 -6.0048 3 121.6201201 89502 303331716 321815 a-Alanine, conf. I
104434.7171 8.3270 -5.8134 3 702.4329495 89502 303823250 823151 a-Alanine, conf. I
104439.6390 0.2482 -5.8391 3 64.5010153 89502 303251015 241114 a-Alanine, conf. I
104440.4858 2.2550 -5.7105 3 645.6005477 89502 303792951 792852 a-Alanine, conf. I
104449.2272 0.0295 -6.3186 3 21.0762 93 89502 30315 510 14 410 a-Alanine, conf. I
104456.9677 0.0110 -5.1024 3 36.3326123 89502 30320 416 19 515 a-Alanine, conf. I
104468.0181 0.1733 -5.7189 3 48.8048135 89502 30322 814 21 913 a-Alanine, conf. I
104482.9170 0.3222 -6.4317 3 242.2446267 89502 303442915 433014 a-Alanine, conf. I
104482.9170 0.3222 -6.4317 3 242.2446267 89502 303442916 433013 a-Alanine, conf. I
104494.5510 0.0110 -5.5444 3 36.3326123 89502 30320 516 19 515 a-Alanine, conf. I
104496.7985 1.5499 -5.3308 3 363.6134363 89502 303601942 601843 a-Alanine, conf. I
104513.2501 1.5438 -6.7035 3 363.6128363 89502 303601942 601743 a-Alanine, conf. I
104515.6282 0.4856 -6.8101 3 359.5567315 89502 303523814 513913 a-Alanine, conf. I
104515.6282 0.4856 -6.8101 3 359.5567315 89502 303523815 513912 a-Alanine, conf. I
104545.3224 0.0111 -5.5439 3 36.3297123 89502 30320 416 19 415 a-Alanine, conf. I
104545.9253 3.2401 -5.4621 3 472.4184411 89502 303682246 682147 a-Alanine, conf. I
104582.9057 0.0112 -5.1012 3 36.3297123 89502 30320 516 19 415 a-Alanine, conf. I
104606.0364 0.0499 -5.4030 3 122.3357183 89502 3033023 7 3022 8 a-Alanine, conf. I
104606.0364 0.0499 -6.7569 3 122.3357183 89502 3033023 7 3022 9 a-Alanine, conf. I
104606.0364 0.0499 -6.7569 3 122.3357183 89502 3033023 8 3022 8 a-Alanine, conf. I
104606.0364 0.0499 -5.4030 3 122.3357183 89502 3033023 8 3022 9 a-Alanine, conf. I
104649.4768 0.2554 -5.7456 3 105.9756219 89502 30336 234 36 135 a-Alanine, conf. I
104649.4768 0.2554 -5.7456 3 105.9756219 89502 30336 334 36 235 a-Alanine, conf. I
104680.1315 0.0057 -6.5057 3 10.5498 69 89502 30311 5 7 10 2 8 a-Alanine, conf. I
104685.0841 0.0075 -6.6726 3 15.6563 87 89502 30314 212 13 112 a-Alanine, conf. I
104685.2717 1.8597 -5.5733 3 559.0005441 89502 303732945 732846 a-Alanine, conf. I
104708.3749 0.0075 -6.6724 3 15.6564 87 89502 30314 312 13 212 a-Alanine, conf. I
104720.4613 0.2253 -6.0324 3 130.4792207 89502 303341817 331914 a-Alanine, conf. I
104720.9352 0.2253 -6.0324 3 130.4792207 89502 303341816 331915 a-Alanine, conf. I
104744.0442 4.7606 -5.6289 3 590.7385453 89502 303753045 752946 a-Alanine, conf. I
104755.5308 0.0185 -5.7005 3 40.6184117 89502 3031911 9 1811 8 a-Alanine, conf. I
104758.7072 0.0185 -5.7005 3 40.6184117 89502 3031911 8 1811 7 a-Alanine, conf. I
104779.8359 1.8952 -6.7440 3 389.5540375 89502 303621943 621944 a-Alanine, conf. I
104780.7300 0.0474 -5.4440 3 116.8661177 89502 3032923 6 2922 7 a-Alanine, conf. I
104780.7300 0.0474 -6.7932 3 116.8661177 89502 3032923 6 2922 8 a-Alanine, conf. I
104780.7300 0.0474 -6.7932 3 116.8661177 89502 3032923 7 2922 7 a-Alanine, conf. I
104780.7300 0.0474 -5.4440 3 116.8661177 89502 3032923 7 2922 8 a-Alanine, conf. I
104782.0534 0.2629 -6.5467 3 179.9669267 89502 30344 836 44 837 a-Alanine, conf. I
104782.0535 0.2629 -5.3052 3 179.9669267 89502 30344 836 44 737 a-Alanine, conf. I
104782.0545 0.2629 -6.5467 3 179.9669267 89502 30344 936 44 737 a-Alanine, conf. I
104782.0545 0.2629 -5.3052 3 179.9669267 89502 30344 936 44 837 a-Alanine, conf. I
104803.2918 0.8040 -5.7122 3 649.0843477 89502 303793050 792951 a-Alanine, conf. I
104813.1169 1.8817 -5.3570 3 389.5529375 89502 303621943 621844 a-Alanine, conf. I
104834.0965 2.7333 -6.8396 3 443.9637399 89502 303662145 662146 a-Alanine, conf. I
104834.5313 0.2123 -5.8904 3 89.5915177 89502 303291316 281415 a-Alanine, conf. I
104855.4156 28.8116 -6.6029 3 1152.5515639 89502 303A63769 A63670 a-Alanine, conf. I
104906.4528 0.0171 -5.2477 3 34.1397117 89502 30319 614 18 513 a-Alanine, conf. I
104907.6399 0.2573 -6.6434 3 222.0737267 89502 303442421 442321 a-Alanine, conf. I
104907.6420 0.2573 -5.2159 3 222.0737267 89502 303442420 442321 a-Alanine, conf. I
104907.6726 0.2573 -5.2159 3 222.0737267 89502 303442421 442322 a-Alanine, conf. I
104907.6747 0.2573 -6.6434 3 222.0737267 89502 303442420 442322 a-Alanine, conf. I
104929.1273 0.5364 -6.7256 3 297.3388315 89502 303522528 522428 a-Alanine, conf. I
104929.7189 0.5362 -5.2481 3 297.3388315 89502 303522527 522428 a-Alanine, conf. I
104935.4274 0.5346 -5.2480 3 297.3386315 89502 303522528 522429 a-Alanine, conf. I
104936.0190 0.5344 -6.7256 3 297.3386315 89502 303522527 522429 a-Alanine, conf. I
104936.6954 1.4607 -5.3826 3 423.3088381 89502 303632736 632637 a-Alanine, conf. I
104937.7978 0.0474 -5.4940 3 111.5829171 89502 3032823 5 2822 6 a-Alanine, conf. I
104937.7978 0.0474 -6.8387 3 111.5829171 89502 3032823 5 2822 7 a-Alanine, conf. I
104937.7978 0.0474 -6.8387 3 111.5829171 89502 3032823 6 2822 6 a-Alanine, conf. I
104937.7978 0.0474 -5.4940 3 111.5829171 89502 3032823 6 2822 7 a-Alanine, conf. I
104944.3848 0.9162 -6.8270 3 362.7987351 89502 303582633 582533 a-Alanine, conf. I
104956.0573 0.9115 -5.3098 3 362.7987351 89502 303582632 582533 a-Alanine, conf. I
104959.7204 2.2623 -6.7888 3 416.3385387 89502 303642044 642045 a-Alanine, conf. I
104961.1637 2.6736 -5.4218 3 443.9595399 89502 303662145 662046 a-Alanine, conf. I
104965.0838 0.3088 -6.1302 3 84.6843177 89502 303291020 281117 a-Alanine, conf. I
104989.7415 0.0039 -6.3157 3 19.5704 87 89502 30314 7 7 13 6 7 a-Alanine, conf. I
105000.2233 0.5818 -6.5478 3 243.1668303 89502 303501238 501239 a-Alanine, conf. I
105000.2461 0.5818 -5.2589 3 243.1668303 89502 303501238 501139 a-Alanine, conf. I
105000.5435 0.5818 -5.2589 3 243.1668303 89502 303501338 501239 a-Alanine, conf. I
105000.5662 0.5817 -6.5478 3 243.1668303 89502 303501338 501139 a-Alanine, conf. I
105025.4833 2.2336 -5.3869 3 416.3363387 89502 303642044 641945 a-Alanine, conf. I
105031.3977 0.8587 -5.7352 3 664.1799483 89502 303803051 802952 a-Alanine, conf. I
105040.1698 1.7958 -5.3552 3 389.5540375 89502 303622043 621944 a-Alanine, conf. I
105042.8929 0.8800 -5.3091 3 362.7954351 89502 303582633 582534 a-Alanine, conf. I
105054.5654 0.8754 -6.8262 3 362.7954351 89502 303582632 582534 a-Alanine, conf. I
105073.4508 1.7823 -6.7417 3 389.5529375 89502 303622043 621844 a-Alanine, conf. I
105078.5676 0.0494 -5.5564 3 106.4855165 89502 3032723 4 2722 5 a-Alanine, conf. I
105078.5676 0.0494 -6.8968 3 106.4855165 89502 3032723 4 2722 6 a-Alanine, conf. I
105078.5676 0.0494 -6.8968 3 106.4855165 89502 3032723 5 2722 5 a-Alanine, conf. I
105078.5676 0.0494 -5.5564 3 106.4855165 89502 3032723 5 2722 6 a-Alanine, conf. I
105082.9924 0.2347 -6.0601 3 139.6778213 89502 303351917 342014 a-Alanine, conf. I
105083.0856 0.2347 -6.0601 3 139.6778213 89502 303351916 342015 a-Alanine, conf. I
105094.7202 0.1944 -5.4230 3 141.1358243 89502 30340 535 40 436 a-Alanine, conf. I
105094.7202 0.1944 -6.6323 3 141.1358243 89502 30340 535 40 536 a-Alanine, conf. I
105094.7202 0.1944 -6.6323 3 141.1358243 89502 30340 635 40 436 a-Alanine, conf. I
105094.7202 0.1944 -5.4230 3 141.1358243 89502 30340 635 40 536 a-Alanine, conf. I
105103.4530 1.6879 -5.4684 3 488.6953411 89502 303682841 682742 a-Alanine, conf. I
105106.7193 0.3382 -6.4628 3 254.9821273 89502 303453015 443114 a-Alanine, conf. I
105106.7193 0.3382 -6.4628 3 254.9821273 89502 303453016 443113 a-Alanine, conf. I
105118.1899 0.0025 -5.2121 3 17.0067 75 89502 30312 9 4 11 8 3 a-Alanine, conf. I
105118.3051 0.0025 -6.3075 3 17.0067 75 89502 30312 9 3 11 8 3 a-Alanine, conf. I
105118.9822 0.0025 -6.3075 3 17.0067 75 89502 30312 9 4 11 8 4 a-Alanine, conf. I
105119.0974 0.0025 -5.2121 3 17.0067 75 89502 30312 9 3 11 8 4 a-Alanine, conf. I
105121.7443 0.3960 -6.5340 3 210.5659285 89502 303471037 471038 a-Alanine, conf. I
105121.7455 0.3960 -5.2697 3 210.5659285 89502 303471037 47 938 a-Alanine, conf. I
105121.7655 0.3960 -5.2697 3 210.5659285 89502 303471137 471038 a-Alanine, conf. I
105121.7667 0.3960 -6.5340 3 210.5659285 89502 303471137 47 938 a-Alanine, conf. I
105178.1055 0.5160 -6.8454 3 375.1465321 89502 303533914 524013 a-Alanine, conf. I
105178.1055 0.5160 -6.8454 3 375.1465321 89502 303533915 524012 a-Alanine, conf. I
105190.4570 0.4196 -6.3803 3 81.1755171 89502 303281117 28 820 a-Alanine, conf. I
105204.2864 0.0530 -5.6365 3 101.5737159 89502 3032623 3 2622 4 a-Alanine, conf. I
105204.2864 0.0530 -5.6365 3 101.5737159 89502 3032623 4 2622 5 a-Alanine, conf. I
105228.5898 1.3250 -5.6858 3 634.1659471 89502 303783049 782950 a-Alanine, conf. I
105244.6719 0.0221 -5.6568 3 39.0344117 89502 303191010 1810 9 a-Alanine, conf. I
105280.7346 0.0165 -5.5776 3 35.3011117 89502 30319 713 18 712 a-Alanine, conf. I
105284.8045 2.1439 -6.8866 3 268.2034315 89502 303521538 511635 a-Alanine, conf. I
105289.3513 0.0229 -5.6564 3 39.0351117 89502 3031910 9 1810 8 a-Alanine, conf. I
105312.8405 0.0307 -5.9831 3 15.4449 81 89502 30313 5 8 12 4 9 a-Alanine, conf. I
105316.1279 0.0577 -5.7447 3 96.8469153 89502 3032523 2 2522 3 a-Alanine, conf. I
105316.1279 0.0577 -5.7447 3 96.8469153 89502 3032523 3 2522 4 a-Alanine, conf. I
105388.8668 0.2927 -6.0189 3 96.8759213 89502 30335 134 35 035 a-Alanine, conf. I
105388.8668 0.2927 -6.0189 3 96.8759213 89502 30335 234 35 135 a-Alanine, conf. I
105392.1644 1.2687 -5.3789 3 423.2912381 89502 303632737 632638 a-Alanine, conf. I
105415.1987 0.0630 -5.9040 3 92.3049147 89502 3032423 1 2422 2 a-Alanine, conf. I
105415.1987 0.0630 -5.9040 3 92.3049147 89502 3032423 2 2422 3 a-Alanine, conf. I
105441.5038 2.0652 -5.3836 3 416.3385387 89502 303642144 642045 a-Alanine, conf. I
105449.0313 0.2313 -6.6352 3 213.9593261 89502 303432420 432320 a-Alanine, conf. I
105449.0319 0.2313 -5.2150 3 213.9593261 89502 303432419 432320 a-Alanine, conf. I
105449.0423 0.2313 -5.2150 3 213.9593261 89502 303432420 432321 a-Alanine, conf. I
105449.0429 0.2313 -6.6352 3 213.9593261 89502 303432419 432321 a-Alanine, conf. I
105452.5419 0.9807 -6.6032 3 300.6902333 89502 303551540 551541 a-Alanine, conf. I
105453.2977 0.9804 -5.2755 3 300.6901333 89502 303551540 551441 a-Alanine, conf. I
105460.6459 0.9783 -5.2755 3 300.6902333 89502 303551640 551541 a-Alanine, conf. I
105461.4017 0.9781 -6.6031 3 300.6901333 89502 303551640 551441 a-Alanine, conf. I
105493.0993 1.9208 -6.7724 3 220.0616285 89502 303471434 461531 a-Alanine, conf. I
105495.3600 0.2447 -6.0880 3 149.2155219 89502 303362017 352114 a-Alanine, conf. I
105495.3776 0.2447 -6.0880 3 149.2155219 89502 303362016 352115 a-Alanine, conf. I
105502.5434 0.0686 -6.1881 3 87.9473141 89502 3032323 0 2322 1 a-Alanine, conf. I
105502.5434 0.0686 -6.1881 3 87.9473141 89502 3032323 1 2322 2 a-Alanine, conf. I
105507.2667 2.0366 -6.7845 3 416.3363387 89502 303642144 641945 a-Alanine, conf. I
105593.2546 0.1717 -6.0087 3 79.2942171 89502 303281019 271116 a-Alanine, conf. I
105621.0089 0.0217 -5.4389 3 39.3223141 89502 30323 023 22 022 a-Alanine, conf. I
105621.0089 0.0217 -4.8113 3 39.3223141 89502 30323 023 22 122 a-Alanine, conf. I
105621.0089 0.0217 -4.8113 3 39.3223141 89502 30323 123 22 022 a-Alanine, conf. I
105621.0089 0.0217 -5.4389 3 39.3223141 89502 30323 123 22 122 a-Alanine, conf. I
105657.2639 0.0031 -5.2885 3 18.0641 81 89502 30313 8 6 12 7 5 a-Alanine, conf. I
105672.5850 0.0031 -6.3140 3 18.0641 81 89502 30313 8 5 12 7 5 a-Alanine, conf. I
105705.3567 2.3538 -5.4158 3 443.9637399 89502 303662245 662146 a-Alanine, conf. I
105736.0741 0.3553 -6.4944 3 268.0567279 89502 303463115 453214 a-Alanine, conf. I
105736.0741 0.3553 -6.4944 3 268.0567279 89502 303463116 453213 a-Alanine, conf. I
105736.1614 0.0031 -6.3136 3 18.0615 81 89502 30313 8 6 12 7 6 a-Alanine, conf. I
105751.4825 0.0031 -5.2880 3 18.0615 81 89502 30313 8 5 12 7 6 a-Alanine, conf. I
105764.2199 2.1096 -5.4489 3 475.9434405 89502 303672839 672740 a-Alanine, conf. I
105776.3599 1.0829 -6.6921 3 203.1716273 89502 303451332 441629 a-Alanine, conf. I
105798.3748 3.1391 -5.5303 3 531.7492429 89502 303712942 712843 a-Alanine, conf. I
105825.6113 0.4845 -6.7050 3 287.6797309 89502 303512527 512427 a-Alanine, conf. I
105825.8392 0.4844 -5.2368 3 287.6797309 89502 303512526 512427 a-Alanine, conf. I
105828.1978 0.4837 -5.2368 3 287.6796309 89502 303512527 512428 a-Alanine, conf. I
105828.4257 0.4837 -6.7050 3 287.6796309 89502 303512526 512428 a-Alanine, conf. I
105828.9814 0.0250 -5.6187 3 37.6310117 89502 30319 911 18 910 a-Alanine, conf. I
105832.4239 2.2943 -6.8318 3 443.9595399 89502 303662245 662046 a-Alanine, conf. I
105838.0656 0.0069 -6.6555 3 9.7570 69 89502 30311 4 8 10 1 9 a-Alanine, conf. I
105841.4437 0.5484 -6.8813 3 391.0728327 89502 303544014 534113 a-Alanine, conf. I
105841.4437 0.5484 -6.8813 3 391.0728327 89502 303544015 534112 a-Alanine, conf. I
105844.8917 2.6518 -5.4517 3 472.4265411 89502 303682346 682247 a-Alanine, conf. I
105847.4943 0.0112 -4.9916 3 38.2530129 89502 30321 318 20 417 a-Alanine, conf. I
105848.2647 0.0112 -5.5056 3 38.2530129 89502 30321 418 20 417 a-Alanine, conf. I
105849.5124 0.0112 -5.5056 3 38.2530129 89502 30321 318 20 317 a-Alanine, conf. I
105850.2829 0.0112 -4.9915 3 38.2530129 89502 30321 418 20 317 a-Alanine, conf. I
105855.3956 3.3905 -5.5780 3 562.8076447 89502 303742649 742550 a-Alanine, conf. I
105868.9133 3.2003 -5.5332 3 531.8515435 89502 303722548 722449 a-Alanine, conf. I
105885.5707 2.9425 -5.4909 3 501.7234423 89502 303702447 702348 a-Alanine, conf. I
105902.1545 24.3693 -6.5689 3 1138.6166633 89502 303A53966 A53867 a-Alanine, conf. I
105925.2514 3.4708 -5.6247 3 594.5890459 89502 303762750 762651 a-Alanine, conf. I
105946.6466 0.2075 -6.6290 3 206.0382255 89502 303422419 422319 a-Alanine, conf. I
105946.6468 0.2075 -5.2157 3 206.0382255 89502 303422418 422319 a-Alanine, conf. I
105946.6502 0.2075 -5.2157 3 206.0382255 89502 303422419 422320 a-Alanine, conf. I
105946.6504 0.2075 -6.6290 3 206.0382255 89502 303422418 422320 a-Alanine, conf. I
105947.3816 0.2552 -6.1161 3 159.0919225 89502 303372117 362214 a-Alanine, conf. I
105947.3848 0.2552 -6.1161 3 159.0919225 89502 303372116 362215 a-Alanine, conf. I
105948.3856 0.2586 -6.5163 3 72.1161159 89502 303261214 26 917 a-Alanine, conf. I
105978.4521 1.6648 -5.7545 3 679.4440489 89502 303813052 812953 a-Alanine, conf. I
106023.1167 0.2256 -5.3295 3 169.0210261 89502 30343 736 43 637 a-Alanine, conf. I
106023.1167 0.2256 -6.5591 3 169.0210261 89502 30343 736 43 737 a-Alanine, conf. I
106023.1169 0.2256 -6.5591 3 169.0210261 89502 30343 836 43 637 a-Alanine, conf. I
106023.1169 0.2256 -5.3295 3 169.0210261 89502 30343 836 43 737 a-Alanine, conf. I
106055.9908 0.2134 -5.4895 3 131.1021237 89502 30339 435 39 336 a-Alanine, conf. I
106055.9908 0.2134 -6.6884 3 131.1021237 89502 30339 435 39 436 a-Alanine, conf. I
106055.9908 0.2134 -6.6884 3 131.1021237 89502 30339 535 39 336 a-Alanine, conf. I
106055.9908 0.2134 -5.4895 3 131.1021237 89502 30339 535 39 436 a-Alanine, conf. I
106069.8556 5.6414 -5.6052 3 576.7085453 89502 303752550 752451 a-Alanine, conf. I
106085.1566 2.5317 -6.8834 3 472.4184411 89502 303682346 682147 a-Alanine, conf. I
106116.9208 0.0234 -5.5895 3 36.4044117 89502 30319 812 18 811 a-Alanine, conf. I
106175.9416 3.3970 -5.6727 3 627.1936471 89502 303782851 782752 a-Alanine, conf. I
106195.9235 1.7936 -5.6568 3 619.4334465 89502 303773048 772949 a-Alanine, conf. I
106224.7886 0.8132 -6.7971 3 351.9670345 89502 303572632 572532 a-Alanine, conf. I
106229.8043 0.8113 -5.2912 3 351.9670345 89502 303572631 572532 a-Alanine, conf. I
106257.1397 0.0314 -5.6151 3 37.6406117 89502 30319 910 18 9 9 a-Alanine, conf. I
106269.8769 0.7970 -5.2909 3 351.9655345 89502 303572632 572533 a-Alanine, conf. I
106274.8926 0.7950 -6.7967 3 351.9655345 89502 303572631 572533 a-Alanine, conf. I
106307.4875 1.9621 -5.5429 3 545.2272435 89502 303722944 722845 a-Alanine, conf. I
106345.4584 0.2423 -5.8541 3 82.4412171 89502 303281216 271315 a-Alanine, conf. I
106370.1936 0.3736 -6.5264 3 281.4684285 89502 303473215 463314 a-Alanine, conf. I
106370.1936 0.3736 -6.5264 3 281.4684285 89502 303473216 463313 a-Alanine, conf. I
106372.3811 0.8593 -6.4146 3 115.8585207 89502 303341124 331221 a-Alanine, conf. I
106388.4359 0.7037 -6.5569 3 264.7989315 89502 303521339 521340 a-Alanine, conf. I
106388.4938 0.7037 -5.2572 3 264.7989315 89502 303521339 521240 a-Alanine, conf. I
106389.1863 0.7035 -5.2572 3 264.7989315 89502 303521439 521340 a-Alanine, conf. I
106389.2442 0.7035 -6.5569 3 264.7989315 89502 303521439 521240 a-Alanine, conf. I
106403.9667 0.1856 -5.2182 3 198.3095249 89502 303412417 412318 a-Alanine, conf. I
106403.9667 0.1856 -6.6248 3 198.3095249 89502 303412418 412318 a-Alanine, conf. I
106403.9678 0.1856 -6.6248 3 198.3095249 89502 303412417 412319 a-Alanine, conf. I
106403.9678 0.1856 -5.2182 3 198.3095249 89502 303412418 412319 a-Alanine, conf. I
106431.4047 0.2663 -6.1445 3 169.3067231 89502 303382217 372314 a-Alanine, conf. I
106431.4053 0.2663 -6.1445 3 169.3067231 89502 303382216 372315 a-Alanine, conf. I
106454.1083 1.1597 -6.6273 3 324.4905345 89502 303571641 571642 a-Alanine, conf. I
106455.7990 1.1591 -5.2878 3 324.4904345 89502 303571641 571542 a-Alanine, conf. I
106471.0234 1.1543 -5.2876 3 324.4905345 89502 303571741 571642 a-Alanine, conf. I
106472.7142 1.1537 -6.6272 3 324.4904345 89502 303571741 571542 a-Alanine, conf. I
106486.7349 0.3981 -6.6128 3 178.8979255 89502 303421329 411626 a-Alanine, conf. I
106508.2274 16.7677 -6.2028 3 936.4191573 89502 303953659 953560 a-Alanine, conf. I
106575.8208 0.0055 -6.3097 3 19.4954 87 89502 30314 7 8 13 6 8 a-Alanine, conf. I
106586.1003 0.3285 -6.5303 3 198.9407279 89502 30346 937 46 938 a-Alanine, conf. I
106586.1005 0.3285 -5.2791 3 198.9407279 89502 30346 937 46 838 a-Alanine, conf. I
106586.1034 0.3285 -5.2791 3 198.9407279 89502 303461037 46 938 a-Alanine, conf. I
106586.1035 0.3285 -6.5303 3 198.9407279 89502 303461037 46 838 a-Alanine, conf. I
106592.4419 9.6625 -5.8849 3 753.7240513 89502 303853352 853253 a-Alanine, conf. I
106636.3790 1.2732 -6.8946 3 411.4907375 89502 303622736 622636 a-Alanine, conf. I
106647.5474 0.4384 -6.6864 3 278.2193303 89502 303502526 502426 a-Alanine, conf. I
106647.6326 0.4384 -5.2270 3 278.2193303 89502 303502525 502426 a-Alanine, conf. I
106648.5776 0.4381 -5.2270 3 278.2193303 89502 303502526 502427 a-Alanine, conf. I
106648.6627 0.4381 -6.6864 3 278.2193303 89502 303502525 502427 a-Alanine, conf. I
106651.0313 15.2222 -6.0232 3 832.1558543 89502 303903159 903060 a-Alanine, conf. I
106670.5260 1.2572 -5.3573 3 411.4907375 89502 303622735 622636 a-Alanine, conf. I
106715.5594 3.1308 -5.7214 3 660.6202483 89502 303802952 802853 a-Alanine, conf. I
106731.5291 0.4894 -6.5317 3 230.8742297 89502 303491138 491139 a-Alanine, conf. I
106731.5325 0.4894 -5.2573 3 230.8742297 89502 303491138 491039 a-Alanine, conf. I
106731.5841 0.4894 -5.2573 3 230.8742297 89502 303491238 491139 a-Alanine, conf. I
106731.5875 0.4894 -6.5317 3 230.8742297 89502 303491238 491039 a-Alanine, conf. I
106792.9679 31.7811 -6.7094 3 1217.7176657 89502 303A93871 A93772 a-Alanine, conf. I
106807.1982 0.0519 -5.3571 3 38.8129123 89502 30320 614 19 713 a-Alanine, conf. I
106815.1564 1.6097 -5.4405 3 475.9019405 89502 303672840 672741 a-Alanine, conf. I
106824.1011 0.1654 -6.6227 3 190.7727243 89502 303402417 402317 a-Alanine, conf. I
106824.1012 0.1654 -5.2225 3 190.7727243 89502 303402416 402317 a-Alanine, conf. I
106824.1015 0.1654 -6.6227 3 190.7727243 89502 303402416 402318 a-Alanine, conf. I
106824.1015 0.1654 -5.2225 3 190.7727243 89502 303402417 402318 a-Alanine, conf. I
106851.2638 22.0481 -6.2916 3 986.0448591 89502 303983464 983365 a-Alanine, conf. I
106897.3805 1.1622 -5.3555 3 411.4820375 89502 303622736 622637 a-Alanine, conf. I
106926.0328 1.8292 -6.8314 3 258.7851309 89502 303511437 501734 a-Alanine, conf. I
106931.5275 1.1463 -6.8923 3 411.4820375 89502 303622735 622637 a-Alanine, conf. I
106936.8481 0.2438 -5.5849 3 121.2928231 89502 30338 335 38 236 a-Alanine, conf. I
106936.8481 0.2438 -6.7739 3 121.2928231 89502 30338 335 38 336 a-Alanine, conf. I
106936.8481 0.2438 -6.7739 3 121.2928231 89502 30338 435 38 236 a-Alanine, conf. I
106936.8481 0.2438 -5.5849 3 121.2928231 89502 30338 435 38 336 a-Alanine, conf. I
106941.5818 0.2778 -6.1732 3 179.8599237 89502 303392317 382414 a-Alanine, conf. I
106941.5819 0.2778 -6.1732 3 179.8599237 89502 303392316 382415 a-Alanine, conf. I
107008.4016 0.3931 -6.5590 3 295.2171291 89502 303483315 473414 a-Alanine, conf. I
107008.4016 0.3931 -6.5590 3 295.2171291 89502 303483316 473413 a-Alanine, conf. I
107098.7357 0.8777 -6.6458 3 194.9042267 89502 303441331 431628 a-Alanine, conf. I
107122.4169 5.6451 -5.6883 3 637.8816471 89502 303783147 783048 a-Alanine, conf. I
107158.7932 0.2087 -5.3639 3 158.2919255 89502 30342 636 42 537 a-Alanine, conf. I
107158.7932 0.2087 -6.5822 3 158.2919255 89502 30342 636 42 637 a-Alanine, conf. I
107158.7932 0.2087 -6.5822 3 158.2919255 89502 30342 736 42 537 a-Alanine, conf. I
107158.7932 0.2087 -5.3639 3 158.2919255 89502 30342 736 42 637 a-Alanine, conf. I
107174.9874 0.0149 -5.1808 3 37.6390123 89502 30320 515 19 614 a-Alanine, conf. I
107209.8480 0.1468 -5.2288 3 183.4271237 89502 303392415 392316 a-Alanine, conf. I
107209.8480 0.1468 -6.6228 3 183.4271237 89502 303392416 392316 a-Alanine, conf. I
107209.8481 0.1468 -6.6228 3 183.4271237 89502 303392415 392317 a-Alanine, conf. I
107209.8481 0.1468 -5.2288 3 183.4271237 89502 303392416 392317 a-Alanine, conf. I
107235.6514 0.0095 -5.4097 3 19.4954 87 89502 30314 7 7 13 6 8 a-Alanine, conf. I
107261.0927 0.0115 -4.9035 3 39.9713135 89502 30322 220 21 319 a-Alanine, conf. I
107261.1015 0.0115 -5.4668 3 39.9713135 89502 30322 320 21 319 a-Alanine, conf. I
107261.1176 0.0115 -5.4668 3 39.9713135 89502 30322 220 21 219 a-Alanine, conf. I
107261.1263 0.0115 -4.9035 3 39.9713135 89502 30322 320 21 219 a-Alanine, conf. I
107321.3063 1.3651 -6.6563 3 349.1440357 89502 303591742 591743 a-Alanine, conf. I
107324.9799 1.3637 -5.3045 3 349.1438357 89502 303591742 591643 a-Alanine, conf. I
107355.6833 1.3530 -5.3042 3 349.1440357 89502 303591842 591743 a-Alanine, conf. I
107359.3569 1.3517 -6.6560 3 349.1438357 89502 303591842 591643 a-Alanine, conf. I
107378.4524 0.7289 -6.7697 3 341.3395339 89502 303562631 562531 a-Alanine, conf. I
107380.5497 0.7281 -5.2745 3 341.3395339 89502 303562630 562531 a-Alanine, conf. I
107398.5140 0.7218 -5.2743 3 341.3389339 89502 303562631 562532 a-Alanine, conf. I
107400.6114 0.7210 -6.7695 3 341.3389339 89502 303562630 562532 a-Alanine, conf. I
107402.8892 0.3971 -6.6696 3 268.9565297 89502 303492525 492425 a-Alanine, conf. I
107402.9200 0.3970 -5.2186 3 268.9565297 89502 303492524 492425 a-Alanine, conf. I
107403.2869 0.3969 -5.2186 3 268.9565297 89502 303492525 492426 a-Alanine, conf. I
107403.3178 0.3969 -6.6696 3 268.9565297 89502 303492524 492426 a-Alanine, conf. I
107417.5535 0.3943 -6.2559 3 93.6549183 89502 303301218 30 921 a-Alanine, conf. I
107453.7683 0.6407 -6.6164 3 186.8103261 89502 303431330 421627 a-Alanine, conf. I
107473.3662 0.2899 -6.2022 3 190.7511243 89502 303402416 392515 a-Alanine, conf. I
107473.3662 0.2899 -6.2022 3 190.7511243 89502 303402417 392514 a-Alanine, conf. I
107508.9985 7.9677 -5.7228 3 656.8036483 89502 303802753 802654 a-Alanine, conf. I
107563.7406 0.1297 -5.2372 3 176.2719231 89502 303382414 382315 a-Alanine, conf. I
107563.7406 0.1297 -6.6253 3 176.2719231 89502 303382414 382316 a-Alanine, conf. I
107563.7406 0.1297 -6.6253 3 176.2719231 89502 303382415 382315 a-Alanine, conf. I
107563.7406 0.1297 -5.2372 3 176.2719231 89502 303382415 382316 a-Alanine, conf. I
107567.9571 2.0969 -5.6259 3 604.8943459 89502 303763047 762948 a-Alanine, conf. I
107586.8359 4.5425 -5.5481 3 545.3490441 89502 303732449 732350 a-Alanine, conf. I
107635.7555 0.0122 -5.5292 3 37.6390123 89502 30320 615 19 614 a-Alanine, conf. I
107650.1143 0.4140 -6.5921 3 309.3028297 89502 303493415 483514 a-Alanine, conf. I
107650.1143 0.4140 -6.5921 3 309.3028297 89502 303493416 483513 a-Alanine, conf. I
107652.4300 2.6517 -5.7700 3 694.8685495 89502 303823053 822954 a-Alanine, conf. I
107672.4692 0.8426 -6.5714 3 287.2923327 89502 303541440 541441 a-Alanine, conf. I
107672.6105 0.8425 -5.2608 3 287.2923327 89502 303541440 541341 a-Alanine, conf. I
107674.1674 0.8421 -5.2608 3 287.2923327 89502 303541540 541441 a-Alanine, conf. I
107674.3087 0.8421 -6.5714 3 287.2923327 89502 303541540 541341 a-Alanine, conf. I
107680.3760 0.1132 -5.5204 3 43.6690129 89502 30321 714 20 813 a-Alanine, conf. I
107744.5194 0.2804 -5.7322 3 111.7104225 89502 30337 235 37 136 a-Alanine, conf. I
107744.5194 0.2804 -5.7322 3 111.7104225 89502 30337 335 37 236 a-Alanine, conf. I
107748.7734 0.0132 -5.4194 3 22.2388 93 89502 30315 7 9 14 6 8 a-Alanine, conf. I
107770.6750 11.1521 -5.8620 3 741.9642513 89502 303852956 852857 a-Alanine, conf. I
107771.9230 0.8530 -5.7735 3 698.4594495 89502 303823152 823053 a-Alanine, conf. I
107888.0852 0.1141 -5.2480 3 169.3067225 89502 303372413 372314 a-Alanine, conf. I
107888.0852 0.1141 -6.6304 3 169.3067225 89502 303372413 372315 a-Alanine, conf. I
107888.0852 0.1141 -6.6304 3 169.3067225 89502 303372414 372314 a-Alanine, conf. I
107888.0852 0.1141 -5.2480 3 169.3067225 89502 303372414 372315 a-Alanine, conf. I
107923.3469 0.2752 -5.2953 3 187.5264273 89502 30345 837 45 738 a-Alanine, conf. I
107923.3469 0.2752 -6.5343 3 187.5264273 89502 30345 837 45 838 a-Alanine, conf. I
107923.3473 0.2752 -6.5343 3 187.5264273 89502 30345 937 45 738 a-Alanine, conf. I
107923.3473 0.2752 -5.2953 3 187.5264273 89502 30345 937 45 838 a-Alanine, conf. I
107926.9970 1.7621 -5.4180 3 463.3382399 89502 303662838 662739 a-Alanine, conf. I
108023.1656 0.3025 -6.2316 3 201.9801249 89502 303412516 402615 a-Alanine, conf. I
108023.1656 0.3025 -6.2316 3 201.9801249 89502 303412517 402614 a-Alanine, conf. I
108028.0574 0.0286 -5.6640 3 18.6354 87 89502 30314 6 8 13 5 9 a-Alanine, conf. I
108040.0290 1.6026 -6.6900 3 374.6479369 89502 303611843 611844 a-Alanine, conf. I
108047.6625 1.9566 -5.5126 3 531.6588429 89502 303712943 712844 a-Alanine, conf. I
108047.8000 1.5995 -5.3255 3 374.6477369 89502 303611843 611744 a-Alanine, conf. I
108064.1284 1.0284 -5.7976 3 714.1157501 89502 303833153 833054 a-Alanine, conf. I
108098.1254 0.3597 -6.6547 3 259.8903291 89502 303482524 482424 a-Alanine, conf. I
108098.1362 0.3597 -5.2118 3 259.8903291 89502 303482523 482424 a-Alanine, conf. I
108098.2741 0.3597 -5.2118 3 259.8903291 89502 303482524 482425 a-Alanine, conf. I
108098.2849 0.3597 -6.6547 3 259.8903291 89502 303482523 482425 a-Alanine, conf. I
108108.1687 1.5768 -5.3251 3 374.6479369 89502 303611943 611844 a-Alanine, conf. I
108115.9397 1.5737 -6.6894 3 374.6477369 89502 303611943 611744 a-Alanine, conf. I
108133.9285 0.0123 -5.5245 3 37.6071123 89502 30320 515 19 514 a-Alanine, conf. I
108146.8364 1.4280 -5.7460 3 682.9790489 89502 303813151 813052 a-Alanine, conf. I
108174.2263 1.1105 -6.8593 3 399.8838369 89502 303612735 612635 a-Alanine, conf. I
108184.9925 0.0999 -5.2614 3 162.5309219 89502 303362412 362313 a-Alanine, conf. I
108184.9925 0.0999 -6.6382 3 162.5309219 89502 303362412 362314 a-Alanine, conf. I
108184.9925 0.0999 -6.6382 3 162.5309219 89502 303362413 362313 a-Alanine, conf. I
108184.9925 0.0999 -5.2614 3 162.5309219 89502 303362413 362314 a-Alanine, conf. I
108189.5877 1.1034 -5.3346 3 399.8838369 89502 303612734 612635 a-Alanine, conf. I
108199.9347 0.2133 -5.4115 3 147.7823249 89502 30341 536 41 437 a-Alanine, conf. I
108199.9347 0.2133 -6.6192 3 147.7823249 89502 30341 536 41 537 a-Alanine, conf. I
108199.9347 0.2133 -6.6192 3 147.7823249 89502 30341 636 41 437 a-Alanine, conf. I
108199.9347 0.2133 -5.4115 3 147.7823249 89502 30341 636 41 537 a-Alanine, conf. I
108209.9494 1.3133 -6.5282 3 144.5917231 89502 303381227 371324 a-Alanine, conf. I
108248.9623 0.5975 -6.5357 3 252.0488309 89502 303511239 511240 a-Alanine, conf. I
108248.9716 0.5975 -5.2511 3 252.0488309 89502 303511239 511140 a-Alanine, conf. I
108249.0991 0.5975 -5.2511 3 252.0488309 89502 303511339 511240 a-Alanine, conf. I
108249.1084 0.5975 -6.5357 3 252.0488309 89502 303511339 511140 a-Alanine, conf. I
108294.8243 0.4364 -6.6257 3 323.7253303 89502 303503515 493614 a-Alanine, conf. I
108294.8243 0.4364 -6.6257 3 323.7253303 89502 303503516 493613 a-Alanine, conf. I
108299.2876 1.0580 -5.3337 3 399.8796369 89502 303612735 612636 a-Alanine, conf. I
108305.9357 0.4088 -6.5219 3 218.7857291 89502 303481038 481039 a-Alanine, conf. I
108305.9362 0.4088 -5.2609 3 218.7857291 89502 303481038 48 939 a-Alanine, conf. I
108305.9443 0.4088 -5.2609 3 218.7857291 89502 303481138 481039 a-Alanine, conf. I
108305.9448 0.4088 -6.5219 3 218.7857291 89502 303481138 48 939 a-Alanine, conf. I
108314.6490 1.0510 -6.8582 3 399.8796369 89502 303612734 612636 a-Alanine, conf. I
108410.7447 3.7547 -5.5819 3 576.5238447 89502 303743044 742945 a-Alanine, conf. I
108417.6464 27.0611 -6.6711 3 1203.3572651 89502 303A84068 A83969 a-Alanine, conf. I
108427.5379 0.6573 -6.7446 3 330.9144333 89502 303552630 552530 a-Alanine, conf. I
108428.3911 0.6570 -5.2593 3 330.9144333 89502 303552629 552530 a-Alanine, conf. I
108436.2157 0.6543 -5.2593 3 330.9141333 89502 303552630 552531 a-Alanine, conf. I
108437.0689 0.6540 -6.7445 3 330.9141333 89502 303552629 552531 a-Alanine, conf. I
108449.0143 0.0465 -5.5679 3 36.4838117 89502 30319 811 18 810 a-Alanine, conf. I
108456.4027 0.0873 -5.2776 3 155.9440213 89502 303352411 352312 a-Alanine, conf. I
108456.4027 0.0873 -6.6492 3 155.9440213 89502 303352411 352313 a-Alanine, conf. I
108456.4027 0.0873 -6.6492 3 155.9440213 89502 303352412 352312 a-Alanine, conf. I
108456.4027 0.0873 -5.2776 3 155.9440213 89502 303352412 352313 a-Alanine, conf. I
108475.1016 1.5010 -5.4137 3 463.3169399 89502 303662839 662740 a-Alanine, conf. I
108485.2858 0.3200 -6.0053 3 102.3569219 89502 30336 135 36 036 a-Alanine, conf. I
108485.2858 0.3200 -6.0053 3 102.3569219 89502 30336 235 36 136 a-Alanine, conf. I
108515.7441 3.7145 -5.4979 3 514.8128429 89502 303712348 712249 a-Alanine, conf. I
108518.8797 34.8969 -6.8216 3 1284.6230675 89502 303B23973 B23874 a-Alanine, conf. I
108544.4270 0.1033 -6.1899 3 100.9668189 89502 303311318 311021 a-Alanine, conf. I
108580.9257 2.5354 -5.4925 3 518.3465423 89502 303702941 702842 a-Alanine, conf. I
108588.1014 0.3158 -6.2614 3 213.5470255 89502 303422616 412715 a-Alanine, conf. I
108588.1014 0.3158 -6.2614 3 213.5470255 89502 303422617 412714 a-Alanine, conf. I
108590.5279 1.8811 -6.7286 3 400.9995381 89502 303631944 631945 a-Alanine, conf. I
108594.6966 0.0149 -5.1672 3 37.6071123 89502 30320 615 19 514 a-Alanine, conf. I
108606.5612 1.8742 -5.3509 3 400.9989381 89502 303631944 631845 a-Alanine, conf. I
108608.4376 0.0134 -5.5356 3 34.9917117 89502 30319 613 18 612 a-Alanine, conf. I
108643.6047 0.0901 -6.8343 3 53.1237141 89502 30323 815 22 913 a-Alanine, conf. I
108672.3252 0.0215 -6.3782 3 20.2203 93 89502 30315 411 14 311 a-Alanine, conf. I
108698.8726 0.0151 -4.8288 3 41.4998141 89502 30323 122 22 221 a-Alanine, conf. I
108698.8726 0.0151 -5.4285 3 41.4998141 89502 30323 222 22 221 a-Alanine, conf. I
108698.8727 0.0151 -5.4285 3 41.4998141 89502 30323 122 22 121 a-Alanine, conf. I
108698.8728 0.0151 -4.8288 3 41.4998141 89502 30323 222 22 121 a-Alanine, conf. I
108704.1072 0.0763 -5.2973 3 149.5454207 89502 303342410 342311 a-Alanine, conf. I
108704.1072 0.0763 -6.6637 3 149.5454207 89502 303342410 342312 a-Alanine, conf. I
108704.1072 0.0763 -6.6637 3 149.5454207 89502 303342411 342311 a-Alanine, conf. I
108704.1072 0.0763 -5.2973 3 149.5454207 89502 303342411 342312 a-Alanine, conf. I
108722.4248 1.8272 -5.3500 3 400.9995381 89502 303632044 631945 a-Alanine, conf. I
108738.4582 1.8203 -6.7274 3 400.9989381 89502 303632044 631845 a-Alanine, conf. I
108738.7155 0.3257 -6.6416 3 251.0197285 89502 303472523 472423 a-Alanine, conf. I
108738.7192 0.3257 -5.2063 3 251.0197285 89502 303472522 472423 a-Alanine, conf. I
108738.7694 0.3257 -5.2063 3 251.0197285 89502 303472523 472424 a-Alanine, conf. I
108738.7730 0.3257 -6.6416 3 251.0197285 89502 303472522 472424 a-Alanine, conf. I
108749.7969 18.8316 -6.2928 3 995.3585591 89502 303983761 983662 a-Alanine, conf. I
108784.2862 11.1288 -5.9610 3 806.7938531 89502 303883454 883355 a-Alanine, conf. I
108823.2381 0.0270 -6.5250 3 62.7218123 89502 3032019 1 1919 0 a-Alanine, conf. I
108823.2381 0.0270 -6.5250 3 62.7218123 89502 3032019 2 1919 1 a-Alanine, conf. I
108835.4198 0.0928 -5.8323 3 80.7106171 89502 303281118 271215 a-Alanine, conf. I
108846.9590 1.0004 -6.5909 3 310.6446339 89502 303561541 561542 a-Alanine, conf. I
108847.2919 1.0003 -5.2692 3 310.6446339 89502 303561541 561442 a-Alanine, conf. I
108850.6826 0.9993 -5.2691 3 310.6446339 89502 303561641 561542 a-Alanine, conf. I
108851.0155 0.9991 -6.5909 3 310.6446339 89502 303561641 561442 a-Alanine, conf. I
108870.3399 3.1505 -6.8756 3 485.1094417 89502 303692247 692248 a-Alanine, conf. I
108915.5509 0.0225 -6.2285 3 59.8286123 89502 3032018 2 1918 1 a-Alanine, conf. I
108915.5509 0.0225 -6.2285 3 59.8286123 89502 3032018 3 1918 2 a-Alanine, conf. I
108929.7667 0.0672 -5.3207 3 143.3346201 89502 3033324 9 332310 a-Alanine, conf. I
108929.7667 0.0672 -6.6823 3 143.3346201 89502 3033324 9 332311 a-Alanine, conf. I
108929.7667 0.0672 -6.6823 3 143.3346201 89502 303332410 332310 a-Alanine, conf. I
108929.7667 0.0672 -5.3207 3 143.3346201 89502 303332410 332311 a-Alanine, conf. I
108942.0882 0.4603 -6.6599 3 338.4846309 89502 303513615 503714 a-Alanine, conf. I
108942.0882 0.4603 -6.6599 3 338.4846309 89502 303513616 503713 a-Alanine, conf. I
108944.2255 2.2146 -6.7721 3 428.1956393 89502 303652045 652046 a-Alanine, conf. I
108976.5414 2.1996 -5.3806 3 428.1946393 89502 303652045 651946 a-Alanine, conf. I
108988.2330 0.0125 -5.0347 3 39.8182129 89502 30321 417 20 516 a-Alanine, conf. I
108993.2852 3.0847 -5.4537 3 485.1053417 89502 303692247 692148 a-Alanine, conf. I
109003.8265 0.0126 -5.4921 3 39.8182129 89502 30321 517 20 516 a-Alanine, conf. I
109025.4285 0.0188 -6.0574 3 57.0951123 89502 3032017 3 1917 2 a-Alanine, conf. I
109025.4285 0.0188 -6.0574 3 57.0951123 89502 3032017 4 1917 3 a-Alanine, conf. I
109025.8163 0.0126 -5.4919 3 39.8170129 89502 30321 417 20 416 a-Alanine, conf. I
109041.4098 0.0127 -5.0342 3 39.8170129 89502 30321 517 20 416 a-Alanine, conf. I
109058.7341 2.6256 -6.8209 3 456.2334405 89502 303672146 672147 a-Alanine, conf. I
109060.8670 2.2128 -6.8127 3 258.7145309 89502 303511537 501634 a-Alanine, conf. I
109082.3499 1.9760 -5.8181 3 729.9394507 89502 303843154 843055 a-Alanine, conf. I
109082.6730 1.9808 -5.7158 3 667.6833483 89502 303803150 803051 a-Alanine, conf. I
109100.4241 0.0040 -6.2251 3 17.8061 69 89502 3031111 0 1010 0 a-Alanine, conf. I
109100.4241 0.0040 -5.0654 3 17.8061 69 89502 3031111 0 1010 1 a-Alanine, conf. I
109100.4241 0.0040 -5.0654 3 17.8061 69 89502 3031111 1 1010 0 a-Alanine, conf. I
109100.4241 0.0040 -6.2251 3 17.8061 69 89502 3031111 1 1010 1 a-Alanine, conf. I
109122.4398 2.5938 -5.4148 3 456.2312405 89502 303672146 672047 a-Alanine, conf. I
109134.9256 0.0602 -5.3489 3 137.3113195 89502 3033224 8 3223 9 a-Alanine, conf. I
109134.9256 0.0602 -6.7056 3 137.3113195 89502 3033224 8 322310 a-Alanine, conf. I
109134.9256 0.0602 -6.7056 3 137.3113195 89502 3033224 9 3223 9 a-Alanine, conf. I
109134.9256 0.0602 -5.3489 3 137.3113195 89502 3033224 9 322310 a-Alanine, conf. I
109147.9762 0.2398 -5.3194 3 176.3261267 89502 30344 737 44 638 a-Alanine, conf. I
109147.9762 0.2398 -6.5469 3 176.3261267 89502 30344 737 44 738 a-Alanine, conf. I
109147.9762 0.2398 -6.5469 3 176.3261267 89502 30344 837 44 638 a-Alanine, conf. I
109147.9762 0.2398 -5.3194 3 176.3261267 89502 30344 837 44 738 a-Alanine, conf. I
109155.6880 0.2351 -5.4777 3 137.4947243 89502 30340 436 40 337 a-Alanine, conf. I
109155.6880 0.2351 -6.6754 3 137.4947243 89502 30340 436 40 437 a-Alanine, conf. I
109155.6880 0.2351 -6.6754 3 137.4947243 89502 30340 536 40 337 a-Alanine, conf. I
109155.6880 0.2351 -5.4777 3 137.4947243 89502 30340 536 40 437 a-Alanine, conf. I
109157.6196 0.0162 -5.9379 3 54.5219123 89502 3032016 4 1916 3 a-Alanine, conf. I
109157.6196 0.0162 -5.9379 3 54.5219123 89502 3032016 5 1916 4 a-Alanine, conf. I
109165.8376 0.3296 -6.2916 3 225.4515261 89502 303432716 422815 a-Alanine, conf. I
109165.8376 0.3296 -6.2916 3 225.4515261 89502 303432717 422814 a-Alanine, conf. I
109193.7868 2.1051 -5.3789 3 428.1956393 89502 303652145 652046 a-Alanine, conf. I
109197.6908 0.5369 -6.6441 3 188.9511261 89502 303431429 421726 a-Alanine, conf. I
109203.6118 2.2390 -5.5940 3 590.5550453 89502 303753046 752947 a-Alanine, conf. I
109226.1028 2.0901 -6.7699 3 428.1946393 89502 303652145 651946 a-Alanine, conf. I
109259.3484 1.7235 -6.6158 3 176.4456255 89502 303421330 411427 a-Alanine, conf. I
109318.6955 0.0150 -5.8470 3 52.1101123 89502 3032015 6 1915 5 a-Alanine, conf. I
109318.6956 0.0150 -5.8470 3 52.1101123 89502 3032015 5 1915 4 a-Alanine, conf. I
109321.0254 0.0557 -5.3826 3 131.4749189 89502 3033124 7 3123 8 a-Alanine, conf. I
109321.0254 0.0557 -6.7348 3 131.4749189 89502 3033124 7 3123 9 a-Alanine, conf. I
109321.0254 0.0557 -6.7348 3 131.4749189 89502 3033124 8 3123 8 a-Alanine, conf. I
109321.0254 0.0557 -5.3826 3 131.4749189 89502 3033124 8 3123 9 a-Alanine, conf. I
109329.3538 0.2947 -6.6304 3 242.3438279 89502 303462522 462422 a-Alanine, conf. I
109329.3550 0.2947 -5.2023 3 242.3438279 89502 303462521 462422 a-Alanine, conf. I
109329.3726 0.2947 -5.2023 3 242.3438279 89502 303462522 462423 a-Alanine, conf. I
109329.3738 0.2947 -6.6304 3 242.3438279 89502 303462521 462423 a-Alanine, conf. I
109330.5458 0.0045 -6.2547 3 22.2388 93 89502 30315 7 8 14 6 8 a-Alanine, conf. I
109350.8363 0.2271 -6.2652 3 95.0791183 89502 303301317 301020 a-Alanine, conf. I
109387.2638 0.5951 -6.7215 3 320.6902327 89502 303542629 542529 a-Alanine, conf. I
109387.6013 0.5949 -5.2457 3 320.6902327 89502 303542628 542529 a-Alanine, conf. I
109390.9125 0.5938 -5.2456 3 320.6901327 89502 303542629 542530 a-Alanine, conf. I
109391.2499 0.5937 -6.7215 3 320.6901327 89502 303542628 542530 a-Alanine, conf. I
109441.2252 24.5742 -6.3831 3 1046.5137609 89502 303A13566 A13467 a-Alanine, conf. I
109445.1717 4.0050 -5.6775 3 641.9498477 89502 303792852 792753 a-Alanine, conf. I
109485.6859 3.9103 -5.6267 3 608.9310465 89502 303772751 772652 a-Alanine, conf. I
109489.4154 0.0538 -5.4233 3 125.8250183 89502 3033024 6 3023 7 a-Alanine, conf. I
109489.4154 0.0538 -6.7711 3 125.8250183 89502 3033024 6 3023 8 a-Alanine, conf. I
109489.4154 0.0538 -6.7711 3 125.8250183 89502 3033024 7 3023 7 a-Alanine, conf. I
109489.4154 0.0538 -5.4233 3 125.8250183 89502 3033024 7 3023 8 a-Alanine, conf. I
109494.1298 6.6401 -5.7528 3 686.8143489 89502 303813249 813150 a-Alanine, conf. I
109518.0361 0.0153 -5.7741 3 49.8608123 89502 3032014 7 1914 6 a-Alanine, conf. I
109518.0370 0.0153 -5.7741 3 49.8608123 89502 3032014 6 1914 5 a-Alanine, conf. I
109520.5546 2.4093 -5.4117 3 456.2334405 89502 303672246 672147 a-Alanine, conf. I
109537.7914 0.9849 -6.8271 3 388.4845363 89502 303602734 602634 a-Alanine, conf. I
109544.5252 0.9819 -5.3138 3 388.4845363 89502 303602733 602634 a-Alanine, conf. I
109580.4851 3.9259 -5.7295 3 675.7888489 89502 303812953 812854 a-Alanine, conf. I
109584.2603 2.3776 -6.8169 3 456.2312405 89502 303672246 672047 a-Alanine, conf. I
109591.5168 0.4859 -6.6946 3 353.5806315 89502 303523715 513814 a-Alanine, conf. I
109591.5168 0.4859 -6.6946 3 353.5806315 89502 303523716 513813 a-Alanine, conf. I
109596.0813 0.9608 -5.3134 3 388.4826363 89502 303602734 602635 a-Alanine, conf. I
109602.5407 3.6927 -5.5779 3 576.7346453 89502 303752650 752551 a-Alanine, conf. I
109602.8151 0.9578 -6.8266 3 388.4826363 89502 303602733 602635 a-Alanine, conf. I
109641.3617 0.0544 -5.4731 3 120.3612177 89502 3032924 5 2923 6 a-Alanine, conf. I
109641.3617 0.0544 -6.8167 3 120.3612177 89502 3032924 5 2923 7 a-Alanine, conf. I
109641.3617 0.0544 -6.8167 3 120.3612177 89502 3032924 6 2923 6 a-Alanine, conf. I
109641.3617 0.0544 -5.4731 3 120.3612177 89502 3032924 6 2923 7 a-Alanine, conf. I
109648.9180 1.7153 -6.7667 3 249.4778303 89502 303501436 491733 a-Alanine, conf. I
109670.6508 0.7213 -6.5454 3 274.0875321 89502 303531340 531341 a-Alanine, conf. I
109670.6751 0.7212 -5.2504 3 274.0875321 89502 303531340 531241 a-Alanine, conf. I
109670.9780 0.7212 -5.2504 3 274.0875321 89502 303531440 531341 a-Alanine, conf. I
109671.0023 0.7212 -6.5454 3 274.0875321 89502 303531440 531241 a-Alanine, conf. I
109699.6707 0.2921 -5.8013 3 75.6351165 89502 303271116 261215 a-Alanine, conf. I
109706.3103 2.7348 -5.4482 3 485.1094417 89502 303692347 692248 a-Alanine, conf. I
109714.9787 3.4000 -5.5316 3 545.3634441 89502 303732549 732450 a-Alanine, conf. I
109743.6883 0.3410 -6.5187 3 206.9053285 89502 30347 938 47 939 a-Alanine, conf. I
109743.6884 0.3410 -5.2703 3 206.9053285 89502 30347 938 47 839 a-Alanine, conf. I
109743.6895 0.3410 -5.2703 3 206.9053285 89502 303471038 47 939 a-Alanine, conf. I
109743.6896 0.3410 -6.5187 3 206.9053285 89502 303471038 47 839 a-Alanine, conf. I
109754.4577 0.3442 -6.3222 3 237.6934267 89502 303442816 432915 a-Alanine, conf. I
109754.4577 0.3442 -6.3222 3 237.6934267 89502 303442817 432914 a-Alanine, conf. I
109763.0475 3.0712 -5.4883 3 514.8206429 89502 303712448 712349 a-Alanine, conf. I
109769.5694 0.0171 -5.7138 3 47.7760123 89502 3032013 8 1913 7 a-Alanine, conf. I
109769.5964 0.0171 -5.7138 3 47.7760123 89502 3032013 7 1913 6 a-Alanine, conf. I
109771.4751 1.5123 -5.3905 3 450.9506393 89502 303652837 652738 a-Alanine, conf. I
109777.4104 17.0295 -6.0996 3 887.8804561 89502 303933261 933162 a-Alanine, conf. I
109778.0554 0.0570 -5.5353 3 115.0832171 89502 3032824 4 2823 5 a-Alanine, conf. I
109778.0554 0.0570 -5.5353 3 115.0832171 89502 3032824 5 2823 6 a-Alanine, conf. I
109810.7361 1.8794 -5.4829 3 518.2978423 89502 303702942 702843 a-Alanine, conf. I
109829.2556 2.6693 -6.8683 3 485.1053417 89502 303692347 692148 a-Alanine, conf. I
109835.2502 0.0026 -5.1191 3 18.3244 75 89502 3031210 3 11 9 2 a-Alanine, conf. I
109835.2524 0.0026 -6.2423 3 18.3244 75 89502 3031210 2 11 9 2 a-Alanine, conf. I
109835.2671 0.0026 -6.2423 3 18.3244 75 89502 3031210 3 11 9 3 a-Alanine, conf. I
109835.2692 0.0026 -5.1191 3 18.3244 75 89502 3031210 2 11 9 3 a-Alanine, conf. I
109846.7958 6.3742 -5.6542 3 623.3896471 89502 303782652 782553 a-Alanine, conf. I
109874.1386 0.2662 -6.6209 3 233.8618273 89502 303452521 452421 a-Alanine, conf. I
109874.1390 0.2662 -5.1999 3 233.8618273 89502 303452520 452421 a-Alanine, conf. I
109874.1450 0.2662 -5.1999 3 233.8618273 89502 303452521 452422 a-Alanine, conf. I
109874.1453 0.2662 -6.6209 3 233.8618273 89502 303452520 452422 a-Alanine, conf. I
109900.6191 0.0612 -5.6153 3 109.9906165 89502 3032724 3 2723 4 a-Alanine, conf. I
109900.6191 0.0612 -5.6153 3 109.9906165 89502 3032724 4 2723 5 a-Alanine, conf. I
109905.3712 1.1796 -6.6152 3 334.8532351 89502 303581642 581643 a-Alanine, conf. I
109906.1305 1.1794 -5.2821 3 334.8532351 89502 303581642 581543 a-Alanine, conf. I
109913.3033 1.1769 -5.2821 3 334.8532351 89502 303581742 581643 a-Alanine, conf. I
109914.0626 1.1766 -6.6152 3 334.8532351 89502 303581742 581543 a-Alanine, conf. I
109939.2408 0.5037 -6.5204 3 239.4997303 89502 303501139 501140 a-Alanine, conf. I
109939.2422 0.5037 -5.2496 3 239.4997303 89502 303501139 501040 a-Alanine, conf. I
109939.2636 0.5037 -5.2496 3 239.4997303 89502 303501239 501140 a-Alanine, conf. I
109939.2650 0.5037 -6.5204 3 239.4997303 89502 303501239 501040 a-Alanine, conf. I
109952.9883 0.0270 -6.2088 3 24.5603 99 89502 30316 610 15 510 a-Alanine, conf. I
110003.4872 3.6283 -5.7822 3 710.4464501 89502 303833054 832955 a-Alanine, conf. I
110010.1130 0.0664 -5.7233 3 105.0829159 89502 3032624 2 2623 3 a-Alanine, conf. I
110010.1130 0.0664 -5.7233 3 105.0829159 89502 3032624 3 2623 4 a-Alanine, conf. I
110033.8650 0.2681 -5.5729 3 127.4318237 89502 30339 336 39 237 a-Alanine, conf. I
110033.8650 0.2681 -6.7610 3 127.4318237 89502 30339 336 39 337 a-Alanine, conf. I
110033.8650 0.2681 -6.7610 3 127.4318237 89502 30339 436 39 237 a-Alanine, conf. I
110033.8650 0.2681 -5.5729 3 127.4318237 89502 30339 436 39 337 a-Alanine, conf. I
110048.6998 1.3808 -5.3884 3 450.9399393 89502 303652838 652739 a-Alanine, conf. I
110054.4232 0.0134 -6.3011 3 21.1894 93 89502 30315 610 14 510 a-Alanine, conf. I
110094.9341 0.0201 -5.6627 3 45.8586123 89502 3032012 9 1912 8 a-Alanine, conf. I
110095.5335 0.0201 -5.6626 3 45.8586123 89502 3032012 8 1912 7 a-Alanine, conf. I
110107.5394 0.0722 -5.8825 3 100.3599153 89502 3032524 1 2523 2 a-Alanine, conf. I
110107.5394 0.0722 -5.8825 3 100.3599153 89502 3032524 2 2523 3 a-Alanine, conf. I
110111.1794 0.2425 -5.7157 3 58.5464147 89502 30324 915 231014 a-Alanine, conf. I
110114.3743 0.0141 -6.3689 3 20.2340 93 89502 30315 511 14 411 a-Alanine, conf. I
110141.0981 0.0249 -5.3913 3 42.8454147 89502 30324 024 23 023 a-Alanine, conf. I
110141.0981 0.0249 -4.7632 3 42.8454147 89502 30324 024 23 123 a-Alanine, conf. I
110141.0981 0.0249 -4.7632 3 42.8454147 89502 30324 124 23 023 a-Alanine, conf. I
110141.0981 0.0249 -5.3913 3 42.8454147 89502 30324 124 23 123 a-Alanine, conf. I
110193.8474 0.0784 -6.1665 3 95.8212147 89502 3032424 0 2423 1 a-Alanine, conf. I
110193.8474 0.0784 -6.1665 3 95.8212147 89502 3032424 1 2423 2 a-Alanine, conf. I
110242.7664 0.5132 -6.7300 3 369.0133321 89502 303533815 523914 a-Alanine, conf. I
110242.7664 0.5132 -6.7300 3 369.0133321 89502 303533816 523913 a-Alanine, conf. I
110246.4115 0.0221 -5.4206 3 25.1277 99 89502 30316 710 15 6 9 a-Alanine, conf. I
110268.7230 0.5401 -6.7004 3 310.6654321 89502 303532628 532528 a-Alanine, conf. I
110268.8527 0.5400 -5.2334 3 310.6654321 89502 303532627 532528 a-Alanine, conf. I
110270.2137 0.5396 -5.2334 3 310.6654321 89502 303532628 532529 a-Alanine, conf. I
110270.3434 0.5395 -6.7004 3 310.6654321 89502 303532627 532529 a-Alanine, conf. I
110271.9187 0.2259 -5.3536 3 165.3428261 89502 30343 637 43 538 a-Alanine, conf. I
110271.9187 0.2259 -6.5702 3 165.3428261 89502 30343 637 43 638 a-Alanine, conf. I
110271.9187 0.2259 -6.5702 3 165.3428261 89502 30343 737 43 538 a-Alanine, conf. I
110271.9187 0.2259 -5.3536 3 165.3428261 89502 30343 737 43 638 a-Alanine, conf. I
110291.1105 0.0165 -5.5184 3 38.8129123 89502 30320 714 19 713 a-Alanine, conf. I
110352.3729 0.3596 -6.3534 3 250.2728273 89502 303452916 443015 a-Alanine, conf. I
110352.3729 0.3596 -6.3534 3 250.2728273 89502 303452917 443014 a-Alanine, conf. I
110364.7848 0.0126 -4.9333 3 41.7838135 89502 30322 319 21 418 a-Alanine, conf. I
110365.0746 0.0126 -5.4551 3 41.7838135 89502 30322 419 21 418 a-Alanine, conf. I
110365.5552 0.0126 -5.4551 3 41.7837135 89502 30322 319 21 318 a-Alanine, conf. I
110365.8451 0.0126 -4.9333 3 41.7837135 89502 30322 419 21 318 a-Alanine, conf. I
110376.6889 0.2399 -6.6133 3 225.5730267 89502 303442520 442420 a-Alanine, conf. I
110376.6890 0.2399 -5.1989 3 225.5730267 89502 303442519 442420 a-Alanine, conf. I
110376.6910 0.2399 -5.1989 3 225.5730267 89502 303442520 442421 a-Alanine, conf. I
110376.6911 0.2399 -6.6133 3 225.5730267 89502 303442519 442421 a-Alanine, conf. I
110444.7368 2.3528 -5.6836 3 652.5801477 89502 303793149 793050 a-Alanine, conf. I
110513.9572 0.0029 -5.1812 3 19.2029 81 89502 30313 9 5 12 8 4 a-Alanine, conf. I
110514.5713 0.0029 -6.2529 3 19.2029 81 89502 30313 9 4 12 8 4 a-Alanine, conf. I
110517.7786 0.0029 -6.2528 3 19.2028 81 89502 30313 9 5 12 8 5 a-Alanine, conf. I
110518.3927 0.0029 -5.1812 3 19.2028 81 89502 30313 9 4 12 8 5 a-Alanine, conf. I
110527.4365 0.0239 -5.6183 3 44.1127123 89502 303201110 1911 9 a-Alanine, conf. I
110537.3111 0.0241 -5.6182 3 44.1128123 89502 3032011 9 1911 8 a-Alanine, conf. I
110546.8573 0.0385 -5.5230 3 35.6513117 89502 30319 712 18 711 a-Alanine, conf. I
110604.4408 0.1611 -5.8087 3 87.6635177 89502 303291218 281315 a-Alanine, conf. I
110727.5129 0.9116 -5.8400 3 749.6192513 89502 303853254 853155 a-Alanine, conf. I
110750.2160 0.2426 -5.8982 3 119.0049201 89502 303331618 321715 a-Alanine, conf. I
110760.0985 0.2340 -5.8704 3 110.6520195 89502 303321518 311615 a-Alanine, conf. I
110765.5390 0.8831 -6.7974 3 377.2905357 89502 303592733 592633 a-Alanine, conf. I
110768.4151 0.8818 -5.2949 3 377.2905357 89502 303592732 592633 a-Alanine, conf. I
110778.1519 0.2449 -5.8980 3 119.0049201 89502 303331617 321716 a-Alanine, conf. I
110791.9781 0.8724 -5.2947 3 377.2896357 89502 303592733 592634 a-Alanine, conf. I
110794.8542 0.8711 -6.7972 3 377.2896357 89502 303592732 592634 a-Alanine, conf. I
110827.8609 3.0871 -5.8348 3 745.9224513 89502 303853155 853056 a-Alanine, conf. I
110839.5417 1.3834 -6.6443 3 359.9156363 89502 303601743 601744 a-Alanine, conf. I
110840.2289 0.2157 -5.1996 3 217.4767261 89502 303432518 432419 a-Alanine, conf. I
110840.2289 0.2157 -6.6075 3 217.4767261 89502 303432519 432419 a-Alanine, conf. I
110840.2295 0.2157 -5.1996 3 217.4767261 89502 303432519 432420 a-Alanine, conf. I
110840.2296 0.2157 -6.6075 3 217.4767261 89502 303432518 432420 a-Alanine, conf. I
110841.2164 0.3071 -5.7199 3 117.5956231 89502 30338 236 38 137 a-Alanine, conf. I
110841.2164 0.3071 -5.7199 3 117.5956231 89502 30338 336 38 237 a-Alanine, conf. I
110841.2236 1.3828 -5.2995 3 359.9155363 89502 303601743 601644 a-Alanine, conf. I
110843.0750 0.0037 -5.2655 3 20.4679 87 89502 30314 8 7 13 7 6 a-Alanine, conf. I
110845.2067 2.0455 -6.6807 3 211.3723279 89502 303461433 451530 a-Alanine, conf. I
110855.9932 1.3773 -5.2994 3 359.9156363 89502 303601843 601744 a-Alanine, conf. I
110857.6751 1.3766 -6.6441 3 359.9155363 89502 303601843 601644 a-Alanine, conf. I
110858.1802 0.2509 -5.9263 3 127.6995207 89502 303341718 331815 a-Alanine, conf. I
110864.5548 0.2516 -5.9262 3 127.6995207 89502 303341717 331816 a-Alanine, conf. I
110873.8515 0.2226 -5.8434 3 102.6421189 89502 303311418 301515 a-Alanine, conf. I
110874.8169 0.2422 -5.8694 3 110.6518195 89502 303321517 311616 a-Alanine, conf. I
110881.0663 2.1105 -5.4593 3 505.1707417 89502 303692940 692841 a-Alanine, conf. I
110895.5322 0.5424 -6.7658 3 384.7825327 89502 303543915 534014 a-Alanine, conf. I
110895.5322 0.5424 -6.7658 3 384.7825327 89502 303543916 534013 a-Alanine, conf. I
110896.0106 0.0037 -6.2569 3 20.4679 87 89502 30314 8 6 13 7 6 a-Alanine, conf. I
110958.2545 0.3759 -6.3850 3 263.1895279 89502 303463016 453115 a-Alanine, conf. I
110958.2545 0.3759 -6.3850 3 263.1895279 89502 303463017 453114 a-Alanine, conf. I
110962.1804 0.2019 -5.8201 3 94.9777183 89502 303301318 291415 a-Alanine, conf. I
110976.7554 2.2529 -5.5622 3 576.4201447 89502 303743045 742946 a-Alanine, conf. I
110992.6406 0.8620 -6.5604 3 296.9878333 89502 303551441 551442 a-Alanine, conf. I
110992.7010 0.8620 -5.2549 3 296.9878333 89502 303551441 551342 a-Alanine, conf. I
110993.3964 0.8618 -5.2549 3 296.9878333 89502 303551541 551442 a-Alanine, conf. I
110993.4568 0.8617 -6.5604 3 296.9878333 89502 303551541 551342 a-Alanine, conf. I
111000.4890 4.4568 -5.6388 3 623.0932465 89502 303773146 773047 a-Alanine, conf. I
111024.6626 12.7278 -6.0415 3 861.6374549 89502 303913556 913457 a-Alanine, conf. I
111057.6875 1.5367 -5.8113 3 733.5780507 89502 303843253 843154 a-Alanine, conf. I
111060.9273 0.2885 -5.2864 3 195.2361279 89502 30346 838 46 739 a-Alanine, conf. I
111060.9273 0.2885 -6.5230 3 195.2361279 89502 30346 838 46 839 a-Alanine, conf. I
111060.9275 0.2885 -6.5230 3 195.2361279 89502 30346 938 46 739 a-Alanine, conf. I
111060.9275 0.2885 -5.2864 3 195.2361279 89502 30346 938 46 839 a-Alanine, conf. I
111066.1357 0.2600 -5.9544 3 136.7349213 89502 303351818 341915 a-Alanine, conf. I
111067.5107 0.2601 -5.9544 3 136.7349213 89502 303351817 341916 a-Alanine, conf. I
111071.8539 0.3013 -6.1664 3 106.9768195 89502 303321319 321022 a-Alanine, conf. I
111075.4808 0.0113 -6.4661 3 19.1482 93 89502 30315 312 14 212 a-Alanine, conf. I
111075.8836 1.2214 -5.8652 3 765.8352519 89502 303863255 863156 a-Alanine, conf. I
111080.4644 0.4909 -6.6811 3 300.8389315 89502 303522627 522527 a-Alanine, conf. I
111080.5128 0.4908 -5.2226 3 300.8389315 89502 303522626 522527 a-Alanine, conf. I
111081.0560 0.4907 -5.2226 3 300.8389315 89502 303522627 522528 a-Alanine, conf. I
111081.1044 0.4907 -6.6811 3 300.8389315 89502 303522626 522528 a-Alanine, conf. I
111086.6515 0.0039 -6.2558 3 20.4598 87 89502 30314 8 7 13 7 7 a-Alanine, conf. I
111088.8145 29.9960 -6.7768 3 1269.8316669 89502 303B14170 B14071 a-Alanine, conf. I
111096.1104 0.0281 -5.5791 3 42.5449123 89502 303201011 191010 a-Alanine, conf. I
111100.3254 21.0532 -6.3868 3 1056.0528609 89502 303A13863 A13764 a-Alanine, conf. I
111124.5929 8.9510 -5.7810 3 706.5131501 89502 303832855 832756 a-Alanine, conf. I
111139.5871 0.0041 -5.2639 3 20.4598 87 89502 30314 8 6 13 7 7 a-Alanine, conf. I
111177.5989 12.4903 -5.9293 3 794.6888531 89502 303883058 882959 a-Alanine, conf. I
111213.0203 0.0304 -5.5782 3 42.5472123 89502 303201010 1910 9 a-Alanine, conf. I
111232.4893 0.0104 -6.4650 3 19.1491 93 89502 30315 412 14 312 a-Alanine, conf. I
111267.6521 0.1934 -5.2021 3 209.5722255 89502 303422517 422418 a-Alanine, conf. I
111267.6521 0.1934 -6.6037 3 209.5722255 89502 303422518 422418 a-Alanine, conf. I
111267.6523 0.1934 -6.6037 3 209.5722255 89502 303422517 422419 a-Alanine, conf. I
111267.6523 0.1934 -5.2021 3 209.5722255 89502 303422518 422419 a-Alanine, conf. I
111305.1582 0.2337 -5.4010 3 154.5792255 89502 30342 537 42 438 a-Alanine, conf. I
111305.1582 0.2337 -6.6073 3 154.5792255 89502 30342 537 42 538 a-Alanine, conf. I
111305.1582 0.2337 -6.6073 3 154.5792255 89502 30342 637 42 438 a-Alanine, conf. I
111305.1582 0.2337 -5.4010 3 154.5792255 89502 30342 637 42 538 a-Alanine, conf. I
111309.8210 0.2485 -5.8396 3 102.6415189 89502 303311417 301516 a-Alanine, conf. I
111353.1797 0.2698 -5.9826 3 146.1103219 89502 303361918 352015 a-Alanine, conf. I
111353.4619 0.2699 -5.9826 3 146.1103219 89502 303361917 352016 a-Alanine, conf. I
111366.3904 3.0255 -5.5416 3 562.5490441 89502 303733043 732944 a-Alanine, conf. I
111383.7489 1.3252 -5.3656 3 438.7755387 89502 303642836 642737 a-Alanine, conf. I
111429.3047 5.1561 -5.5936 3 590.7894459 89502 303762551 762452 a-Alanine, conf. I
111482.2651 0.4221 -6.5112 3 227.1555297 89502 303491039 491040 a-Alanine, conf. I
111482.2653 0.4221 -5.2533 3 227.1555297 89502 303491039 49 940 a-Alanine, conf. I
111482.2686 0.4221 -5.2533 3 227.1555297 89502 303491139 491040 a-Alanine, conf. I
111482.2688 0.4221 -6.5112 3 227.1555297 89502 303491139 49 940 a-Alanine, conf. I
111483.3451 0.6136 -6.5251 3 261.0803315 89502 303521240 521241 a-Alanine, conf. I
111483.3489 0.6136 -5.2444 3 261.0803315 89502 303521240 521141 a-Alanine, conf. I
111483.4030 0.6136 -5.2444 3 261.0803315 89502 303521340 521241 a-Alanine, conf. I
111483.4068 0.6135 -6.5251 3 261.0803315 89502 303521340 521141 a-Alanine, conf. I
111519.9781 1.2611 -5.3645 3 438.7703387 89502 303642837 642738 a-Alanine, conf. I
111523.0543 0.2816 -6.6658 3 67.0790153 89502 303251213 25 916 a-Alanine, conf. I
111531.4498 1.7620 -5.4543 3 505.1453417 89502 303692941 692842 a-Alanine, conf. I
111549.5427 0.5736 -6.8023 3 400.8882333 89502 303554015 544114 a-Alanine, conf. I
111549.5427 0.5736 -6.8023 3 400.8882333 89502 303554016 544113 a-Alanine, conf. I
111570.9820 0.3931 -6.4171 3 276.4433285 89502 303473116 463215 a-Alanine, conf. I
111570.9820 0.3931 -6.4171 3 276.4433285 89502 303473117 463214 a-Alanine, conf. I
111583.6370 0.3489 -5.9926 3 107.9884225 89502 30337 136 37 037 a-Alanine, conf. I
111583.6370 0.3489 -5.9926 3 107.9884225 89502 30337 236 37 137 a-Alanine, conf. I
111638.9355 1.6162 -6.6779 3 385.8290375 89502 303621844 621845 a-Alanine, conf. I
111642.5622 1.6146 -5.3211 3 385.8289375 89502 303621844 621745 a-Alanine, conf. I
111661.5723 0.1727 -5.2063 3 201.8588249 89502 303412516 412417 a-Alanine, conf. I
111661.5723 0.1727 -6.6020 3 201.8588249 89502 303412517 412417 a-Alanine, conf. I
111661.5724 0.1727 -6.6020 3 201.8588249 89502 303412516 412418 a-Alanine, conf. I
111661.5724 0.1727 -5.2063 3 201.8588249 89502 303412517 412418 a-Alanine, conf. I
111670.0958 0.0253 -5.5226 3 39.9441123 89502 30320 813 19 812 a-Alanine, conf. I
111672.2166 1.6027 -5.3209 3 385.8290375 89502 303621944 621845 a-Alanine, conf. I
111675.8432 1.6012 -6.6776 3 385.8289375 89502 303621944 621745 a-Alanine, conf. I
111678.0395 0.0300 -5.5454 3 41.1611123 89502 30320 912 19 911 a-Alanine, conf. I
111702.2219 0.2804 -6.0110 3 155.8252225 89502 303372018 362115 a-Alanine, conf. I
111702.2773 0.2804 -6.0110 3 155.8252225 89502 303372017 362116 a-Alanine, conf. I
111782.1823 0.0132 -4.8509 3 43.5491141 89502 30323 221 22 320 a-Alanine, conf. I
111782.1853 0.0132 -5.4182 3 43.5491141 89502 30323 321 22 320 a-Alanine, conf. I
111782.1910 0.0132 -5.4182 3 43.5491141 89502 30323 221 22 220 a-Alanine, conf. I
111782.1941 0.0132 -4.8509 3 43.5491141 89502 30323 321 22 220 a-Alanine, conf. I
111829.3835 0.4465 -6.6636 3 291.2097309 89502 303512626 512526 a-Alanine, conf. I
111829.4010 0.4464 -5.2131 3 291.2097309 89502 303512625 512526 a-Alanine, conf. I
111829.6114 0.4464 -5.2131 3 291.2097309 89502 303512626 512527 a-Alanine, conf. I
111829.6289 0.4464 -6.6636 3 291.2097309 89502 303512625 512527 a-Alanine, conf. I
111849.8651 0.6841 -6.2386 3 109.4353201 89502 303331123 321220 a-Alanine, conf. I
111849.9168 27.3261 -6.4803 3 1108.7392627 89502 303A43668 A43569 a-Alanine, conf. I
111871.3082 7.7494 -5.8221 3 737.5325507 89502 303843351 843252 a-Alanine, conf. I
111882.3063 0.7974 -6.7700 3 366.2997351 89502 303582732 582632 a-Alanine, conf. I
111883.5029 0.7969 -5.2775 3 366.2997351 89502 303582731 582632 a-Alanine, conf. I
111893.9787 0.7928 -5.2774 3 366.2993351 89502 303582732 582633 a-Alanine, conf. I
111895.1754 0.7922 -6.7699 3 366.2993351 89502 303582731 582633 a-Alanine, conf. I
111965.1113 2.1810 -5.7799 3 717.7204501 89502 303833252 833153 a-Alanine, conf. I
111977.5179 0.0316 -5.4090 3 28.2279105 89502 30317 711 16 610 a-Alanine, conf. I
111979.8035 0.0144 -5.0989 3 41.2294129 89502 30321 516 20 615 a-Alanine, conf. I
112024.3638 0.1536 -5.2124 3 194.3360243 89502 303402515 402416 a-Alanine, conf. I
112024.3638 0.1536 -6.6024 3 194.3360243 89502 303402516 402416 a-Alanine, conf. I
112024.3639 0.1536 -6.6024 3 194.3360243 89502 303402515 402417 a-Alanine, conf. I
112024.3639 0.1536 -5.2124 3 194.3360243 89502 303402516 402417 a-Alanine, conf. I
112091.7086 2.5405 -5.6505 3 637.6760471 89502 303783148 783049 a-Alanine, conf. I
112100.3459 0.2915 -6.0397 3 165.8792231 89502 303382118 372215 a-Alanine, conf. I
112100.3563 0.2915 -6.0397 3 165.8792231 89502 303382117 372216 a-Alanine, conf. I
112155.7373 2.3165 -5.8869 3 782.2176525 89502 303873256 873157 a-Alanine, conf. I
112183.9228 1.5657 -6.7044 3 240.3228297 89502 303491435 481732 a-Alanine, conf. I
112189.6033 0.4113 -6.4497 3 290.0343291 89502 303483216 473315 a-Alanine, conf. I
112189.6033 0.4113 -6.4497 3 290.0343291 89502 303483217 473314 a-Alanine, conf. I
112192.2368 0.0137 -5.4776 3 41.2294129 89502 30321 616 20 615 a-Alanine, conf. I
112204.5552 0.6068 -6.8393 3 417.3303339 89502 303564115 554214 a-Alanine, conf. I
112204.5552 0.6068 -6.8393 3 417.3303339 89502 303564116 554213 a-Alanine, conf. I
112210.2894 1.0214 -6.5804 3 320.7475345 89502 303571542 571543 a-Alanine, conf. I
112210.4345 1.0213 -5.2641 3 320.7475345 89502 303571542 571443 a-Alanine, conf. I
112211.9801 1.0208 -5.2641 3 320.7475345 89502 303571642 571543 a-Alanine, conf. I
112212.1253 1.0208 -6.5804 3 320.7475345 89502 303571642 571443 a-Alanine, conf. I
112256.1668 0.2585 -5.4670 3 144.0378249 89502 30341 437 41 338 a-Alanine, conf. I
112256.1668 0.2585 -6.6636 3 144.0378249 89502 30341 437 41 438 a-Alanine, conf. I
112256.1668 0.2585 -6.6636 3 144.0378249 89502 30341 537 41 338 a-Alanine, conf. I
112256.1668 0.2585 -5.4670 3 144.0378249 89502 30341 537 41 438 a-Alanine, conf. I
112270.8207 0.2552 -5.3103 3 183.7814273 89502 30345 738 45 639 a-Alanine, conf. I
112270.8207 0.2552 -6.5359 3 183.7814273 89502 30345 738 45 739 a-Alanine, conf. I
112270.8207 0.2552 -6.5359 3 183.7814273 89502 30345 838 45 639 a-Alanine, conf. I
112270.8207 0.2552 -5.3103 3 183.7814273 89502 30345 838 45 739 a-Alanine, conf. I
112284.5471 0.0085 -6.2489 3 22.0875 93 89502 30315 7 9 14 6 9 a-Alanine, conf. I
112289.4458 1.8843 -6.7161 3 412.5908387 89502 303641945 641946 a-Alanine, conf. I
112297.0729 1.8808 -5.3468 3 412.5905387 89502 303641945 641846 a-Alanine, conf. I
112321.5386 0.0096 -6.6141 3 17.9243 93 89502 30315 213 14 113 a-Alanine, conf. I
112330.7323 0.0095 -6.6141 3 17.9243 93 89502 30315 313 14 213 a-Alanine, conf. I
112355.2087 1.8556 -5.3464 3 412.5908387 89502 303642045 641946 a-Alanine, conf. I
112358.1947 0.1361 -5.2207 3 187.0032237 89502 303392514 392415 a-Alanine, conf. I
112358.1947 0.1361 -6.6051 3 187.0032237 89502 303392514 392416 a-Alanine, conf. I
112358.1947 0.1361 -6.6051 3 187.0032237 89502 303392515 392415 a-Alanine, conf. I
112358.1947 0.1361 -5.2207 3 187.0032237 89502 303392515 392416 a-Alanine, conf. I
112362.8358 1.8522 -6.7156 3 412.5905387 89502 303642045 641846 a-Alanine, conf. I
112423.6606 4.2391 -5.5399 3 559.0098447 89502 303742450 742351 a-Alanine, conf. I
112440.5717 0.0138 -5.4754 3 41.2140129 89502 30321 516 20 515 a-Alanine, conf. I
112465.0154 0.2748 -5.8062 3 94.9752183 89502 303301317 291416 a-Alanine, conf. I
112481.4559 0.0059 -6.7923 3 11.1199 69 89502 30311 6 6 10 3 7 a-Alanine, conf. I
112521.2337 0.4061 -6.6479 3 281.7767303 89502 303502625 502525 a-Alanine, conf. I
112521.2398 0.4061 -5.2050 3 281.7767303 89502 303502624 502525 a-Alanine, conf. I
112521.3188 0.4061 -5.2050 3 281.7767303 89502 303502625 502526 a-Alanine, conf. I
112521.3250 0.4061 -6.6479 3 281.7767303 89502 303502624 502526 a-Alanine, conf. I
112537.8727 0.3033 -6.0686 3 176.2719237 89502 303392218 382315 a-Alanine, conf. I
112537.8746 0.3033 -6.0686 3 176.2719237 89502 303392217 382316 a-Alanine, conf. I
112591.2126 0.0439 -5.5379 3 41.1850123 89502 30320 911 19 910 a-Alanine, conf. I
112653.0050 0.0147 -5.0929 3 41.2140129 89502 30321 616 20 515 a-Alanine, conf. I
112665.0539 0.1201 -5.2313 3 179.8599231 89502 303382513 382414 a-Alanine, conf. I
112665.0539 0.1201 -6.6103 3 179.8599231 89502 303382513 382415 a-Alanine, conf. I
112665.0539 0.1201 -6.6103 3 179.8599231 89502 303382514 382414 a-Alanine, conf. I
112665.0539 0.1201 -5.2313 3 179.8599231 89502 303382514 382415 a-Alanine, conf. I
112756.3438 0.0127 -5.4914 3 38.6145123 89502 30320 614 19 613 a-Alanine, conf. I
112762.9839 19.0147 -6.1818 3 945.3760579 89502 303963363 963264 a-Alanine, conf. I
112771.4466 2.1976 -6.7590 3 440.1979399 89502 303662046 662047 a-Alanine, conf. I
112787.1169 2.1898 -5.3767 3 440.1973399 89502 303662046 661947 a-Alanine, conf. I
112787.5364 2.1790 -5.5309 3 562.4924441 89502 303733044 732945 a-Alanine, conf. I
112813.3034 0.4307 -6.4828 3 303.9623297 89502 303493316 483415 a-Alanine, conf. I
112813.3034 0.4307 -6.4828 3 303.9623297 89502 303493317 483414 a-Alanine, conf. I
112819.9505 1.1786 -5.3428 3 426.8091381 89502 303632835 632736 a-Alanine, conf. I
112836.9818 1.8061 -5.4297 3 492.2141411 89502 303682939 682840 a-Alanine, conf. I
112885.0652 1.1484 -5.3423 3 426.8067381 89502 303632836 632737 a-Alanine, conf. I
112896.1054 0.3542 -5.2626 3 215.0199291 89502 30348 939 48 840 a-Alanine, conf. I
112896.1054 0.3542 -6.5084 3 215.0199291 89502 30348 939 48 940 a-Alanine, conf. I
112896.1059 0.3542 -6.5084 3 215.0199291 89502 303481039 48 840 a-Alanine, conf. I
112896.1059 0.3542 -5.2626 3 215.0199291 89502 303481039 48 940 a-Alanine, conf. I
112898.5138 2.1380 -5.3759 3 440.1979399 89502 303662146 662047 a-Alanine, conf. I
112904.9351 0.7233 -6.7447 3 355.5104345 89502 303572731 572631 a-Alanine, conf. I
112905.4200 0.7231 -5.2616 3 355.5104345 89502 303572730 572631 a-Alanine, conf. I
112909.9508 0.7213 -5.2615 3 355.5103345 89502 303572731 572632 a-Alanine, conf. I
112910.4357 0.7211 -6.7447 3 355.5103345 89502 303572730 572632 a-Alanine, conf. I
112912.4741 4.5920 -5.7359 3 691.1021495 89502 303822954 822855 a-Alanine, conf. I
112914.1841 2.1303 -6.7579 3 440.1973399 89502 303662146 661947 a-Alanine, conf. I
112929.7337 0.0365 -6.2600 3 23.8452 99 89502 30316 511 15 411 a-Alanine, conf. I
112935.0371 4.5056 -5.7919 3 726.1723507 89502 303843055 842956 a-Alanine, conf. I
112935.1740 0.7393 -6.5355 3 283.5252327 89502 303541341 541342 a-Alanine, conf. I
112935.1841 0.7393 -5.2448 3 283.5252327 89502 303541341 541242 a-Alanine, conf. I
112935.3153 0.7392 -5.2448 3 283.5252327 89502 303541441 541342 a-Alanine, conf. I
112935.3254 0.7392 -6.5355 3 283.5252327 89502 303541441 541242 a-Alanine, conf. I
112946.7746 0.1056 -5.2444 3 172.9055225 89502 303372512 372413 a-Alanine, conf. I
112946.7746 0.1056 -6.6183 3 172.9055225 89502 303372512 372414 a-Alanine, conf. I
112946.7746 0.1056 -6.6183 3 172.9055225 89502 303372513 372413 a-Alanine, conf. I
112946.7746 0.1056 -5.2444 3 172.9055225 89502 303372513 372414 a-Alanine, conf. I
112949.3611 1.0436 -6.6811 3 207.6047273 89502 303451530 441827 a-Alanine, conf. I
112968.0365 3.5406 -5.4919 3 528.0564435 89502 303722349 722250 a-Alanine, conf. I
112983.1705 0.3501 -6.3807 3 89.3197177 89502 303291316 291019 a-Alanine, conf. I
113007.4594 0.3156 -6.0978 3 187.0032243 89502 303402318 392415 a-Alanine, conf. I
113007.4597 0.3156 -6.0978 3 187.0032243 89502 303402317 392416 a-Alanine, conf. I
113056.6715 2.5712 -6.8066 3 468.6473411 89502 303682147 682148 a-Alanine, conf. I
113061.9028 4.4828 -5.6812 3 656.8489483 89502 303802853 802754 a-Alanine, conf. I
113088.1651 2.5545 -5.4107 3 468.6462411 89502 303682147 682048 a-Alanine, conf. I
113096.8130 0.0095 -6.3950 3 12.4782 75 89502 30312 5 8 11 2 9 a-Alanine, conf. I
113132.2228 0.2940 -5.5618 3 133.7211243 89502 30340 337 40 238 a-Alanine, conf. I
113132.2228 0.2940 -6.7491 3 133.7211243 89502 30340 337 40 338 a-Alanine, conf. I
113132.2228 0.2940 -6.7491 3 133.7211243 89502 30340 437 40 238 a-Alanine, conf. I
113132.2228 0.2940 -5.5618 3 133.7211243 89502 30340 437 40 338 a-Alanine, conf. I
113136.9257 0.5184 -6.5105 3 248.2749309 89502 303511140 511141 a-Alanine, conf. I
113136.9262 0.5184 -5.2431 3 248.2749309 89502 303511140 511041 a-Alanine, conf. I
113136.9350 0.5184 -5.2431 3 248.2749309 89502 303511240 511141 a-Alanine, conf. I
113136.9356 0.5184 -6.5105 3 248.2749309 89502 303511240 511041 a-Alanine, conf. I
113160.9321 0.3693 -6.6338 3 272.5391297 89502 303492624 492524 a-Alanine, conf. I
113160.9342 0.3693 -5.1983 3 272.5391297 89502 303492623 492524 a-Alanine, conf. I
113160.9629 0.3693 -5.1983 3 272.5391297 89502 303492624 492525 a-Alanine, conf. I
113160.9650 0.3693 -6.6338 3 272.5391297 89502 303492623 492525 a-Alanine, conf. I
113165.2832 2.9945 -5.4490 3 497.9338423 89502 303702248 702149 a-Alanine, conf. I
113170.6978 1.6277 -5.4271 3 492.2012411 89502 303682940 682841 a-Alanine, conf. I
113205.0525 0.0927 -5.2605 3 166.1396219 89502 303362511 362412 a-Alanine, conf. I
113205.0525 0.0927 -6.6294 3 166.1396219 89502 303362511 362413 a-Alanine, conf. I
113205.0525 0.0927 -6.6294 3 166.1396219 89502 303362512 362412 a-Alanine, conf. I
113205.0525 0.0927 -5.2605 3 166.1396219 89502 303362512 362413 a-Alanine, conf. I
113219.8864 0.0176 -4.7802 3 45.1256147 89502 30324 123 23 222 a-Alanine, conf. I
113219.8864 0.0176 -5.3818 3 45.1256147 89502 30324 223 23 222 a-Alanine, conf. I
113219.8865 0.0176 -5.3818 3 45.1256147 89502 30324 123 23 122 a-Alanine, conf. I
113219.8865 0.0176 -4.7802 3 45.1256147 89502 30324 223 23 122 a-Alanine, conf. I
113239.4881 0.0388 -5.2254 3 42.4918129 89502 30321 615 20 714 a-Alanine, conf. I
113245.3745 4.1717 -5.8485 3 762.0578519 89502 303863156 863057 a-Alanine, conf. I
113275.7171 0.0394 -5.3760 3 31.5227111 89502 30318 712 17 611 a-Alanine, conf. I
113281.6005 4.2361 -5.6285 3 623.4150471 89502 303782752 782653 a-Alanine, conf. I
113296.9364 2.4508 -5.4092 3 468.6473411 89502 303682247 682148 a-Alanine, conf. I
113317.8973 2.6289 -5.7465 3 702.0543495 89502 303823251 823152 a-Alanine, conf. I
113318.0788 1.2016 -6.6051 3 345.3640357 89502 303591643 591644 a-Alanine, conf. I
113318.4163 1.2014 -5.2779 3 345.3639357 89502 303591643 591544 a-Alanine, conf. I
113321.7525 1.2002 -5.2779 3 345.3640357 89502 303591743 591644 a-Alanine, conf. I
113322.0900 1.2001 -6.6051 3 345.3639357 89502 303591743 591544 a-Alanine, conf. I
113327.7873 14.4600 -6.1261 3 918.2498567 89502 303943658 943559 a-Alanine, conf. I
113328.4299 2.4341 -6.8046 3 468.6462411 89502 303682247 682048 a-Alanine, conf. I
113366.8107 0.0708 -5.8207 3 85.9885177 89502 303291119 281216 a-Alanine, conf. I
113384.3045 0.2445 -5.3443 3 172.5440267 89502 30344 638 44 539 a-Alanine, conf. I
113384.3045 0.2445 -6.5594 3 172.5440267 89502 30344 638 44 639 a-Alanine, conf. I
113384.3045 0.2445 -6.5594 3 172.5440267 89502 30344 738 44 539 a-Alanine, conf. I
113384.3045 0.2445 -5.3443 3 172.5440267 89502 30344 738 44 639 a-Alanine, conf. I
113441.3807 0.4513 -6.5164 3 318.2273303 89502 303503416 493515 a-Alanine, conf. I
113441.3807 0.4513 -6.5164 3 318.2273303 89502 303503417 493514 a-Alanine, conf. I
113441.4623 0.0817 -5.2799 3 159.5617213 89502 303352510 352411 a-Alanine, conf. I
113441.4623 0.0817 -6.6440 3 159.5617213 89502 303352510 352412 a-Alanine, conf. I
113441.4623 0.0817 -6.6440 3 159.5617213 89502 303352511 352411 a-Alanine, conf. I
113441.4623 0.0817 -5.2799 3 159.5617213 89502 303352511 352412 a-Alanine, conf. I
113490.0504 3.9059 -5.5782 3 590.8034459 89502 303762651 762552 a-Alanine, conf. I
113503.3257 2.3310 -6.7331 3 249.3505303 89502 303501536 491633 a-Alanine, conf. I
113503.4397 0.3284 -6.1273 3 198.0727249 89502 303412417 402516 a-Alanine, conf. I
113503.4397 0.3284 -6.1273 3 198.0727249 89502 303412418 402515 a-Alanine, conf. I
113505.1751 0.0142 -4.9723 3 43.4542135 89502 30322 418 21 517 a-Alanine, conf. I
113511.5079 0.0142 -5.4427 3 43.4542135 89502 30322 518 21 517 a-Alanine, conf. I
113520.7686 0.0142 -5.4427 3 43.4537135 89502 30322 418 21 417 a-Alanine, conf. I
113527.1014 0.0142 -4.9721 3 43.4537135 89502 30322 518 21 417 a-Alanine, conf. I
113543.7958 7.1804 -5.7091 3 671.8644489 89502 303812754 812655 a-Alanine, conf. I
113548.0794 2.7926 -5.4462 3 497.9359423 89502 303702348 702249 a-Alanine, conf. I
113573.0331 23.4360 -6.4844 3 1118.4963627 89502 303A43965 A43866 a-Alanine, conf. I
113576.7953 5.2507 -5.7009 3 671.4537483 89502 303803248 803149 a-Alanine, conf. I
113587.5113 0.3456 -6.5750 3 197.0521267 89502 303441430 431727 a-Alanine, conf. I
113603.5879 0.0057 -6.1908 3 25.1277 99 89502 30316 7 9 15 6 9 a-Alanine, conf. I
113627.5874 3.5361 -5.5309 3 559.0174447 89502 303742550 742451 a-Alanine, conf. I
113654.6436 3.1582 -5.4868 3 528.0604435 89502 303722449 722350 a-Alanine, conf. I
113657.4716 0.0727 -5.3032 3 153.1714207 89502 3033425 9 342410 a-Alanine, conf. I
113657.4716 0.0727 -6.6627 3 153.1714207 89502 3033425 9 342411 a-Alanine, conf. I
113657.4716 0.0727 -6.6627 3 153.1714207 89502 303342510 342410 a-Alanine, conf. I
113657.4716 0.0727 -5.3032 3 153.1714207 89502 303342510 342411 a-Alanine, conf. I
113668.4849 0.9818 -5.9115 3 802.5596531 89502 303883356 883257 a-Alanine, conf. I
113752.7532 0.3355 -6.6214 3 263.4961291 89502 303482623 482523 a-Alanine, conf. I
113752.7539 0.3355 -5.1929 3 263.4961291 89502 303482622 482523 a-Alanine, conf. I
113752.7640 0.3355 -5.1929 3 263.4961291 89502 303482623 482524 a-Alanine, conf. I
113752.7647 0.3355 -6.6214 3 263.4961291 89502 303482622 482524 a-Alanine, conf. I
113804.2471 2.5105 -5.5063 3 548.8032435 89502 303723042 722943 a-Alanine, conf. I
113845.5228 0.6580 -6.7213 3 344.9213339 89502 303562730 562630 a-Alanine, conf. I
113845.7140 0.6580 -5.2471 3 344.9213339 89502 303562729 562630 a-Alanine, conf. I
113847.6202 0.6572 -5.2471 3 344.9213339 89502 303562730 562631 a-Alanine, conf. I
113847.8114 0.6572 -6.7213 3 344.9213339 89502 303562729 562631 a-Alanine, conf. I
113854.4517 0.0662 -5.3310 3 146.9681201 89502 3033325 8 3324 9 a-Alanine, conf. I
113854.4517 0.0662 -6.6861 3 146.9681201 89502 3033325 8 332410 a-Alanine, conf. I
113854.4517 0.0662 -6.6861 3 146.9681201 89502 3033325 9 3324 9 a-Alanine, conf. I
113854.4517 0.0662 -5.3310 3 146.9681201 89502 3033325 9 332410 a-Alanine, conf. I
113866.3196 0.0192 -5.4150 3 22.0875 93 89502 30315 7 8 14 6 9 a-Alanine, conf. I
113894.7688 2.5782 -5.6171 3 622.9757465 89502 303773147 773048 a-Alanine, conf. I
113939.6476 0.3354 -5.7086 3 123.6311237 89502 30339 237 39 138 a-Alanine, conf. I
113939.6476 0.3354 -5.7086 3 123.6311237 89502 30339 337 39 238 a-Alanine, conf. I
113960.8000 1.6540 -5.8817 3 785.9587525 89502 303873355 873256 a-Alanine, conf. I
113962.5937 3.5601 -5.9050 3 798.7582531 89502 303883257 883158 a-Alanine, conf. I
114021.3672 0.3418 -6.1572 3 209.4803255 89502 303422517 412616 a-Alanine, conf. I
114021.3672 0.3418 -6.1572 3 209.4803255 89502 303422518 412615 a-Alanine, conf. I
114033.6885 0.0622 -5.3645 3 140.9516195 89502 3033225 7 3224 8 a-Alanine, conf. I
114033.6885 0.0622 -6.7152 3 140.9516195 89502 3033225 7 3224 9 a-Alanine, conf. I
114033.6885 0.0622 -6.7152 3 140.9516195 89502 3033225 8 3224 8 a-Alanine, conf. I
114033.6885 0.0622 -5.3645 3 140.9516195 89502 3033225 8 3224 9 a-Alanine, conf. I
114063.3530 30.3200 -6.5832 3 1172.7160645 89502 303A73770 A73671 a-Alanine, conf. I
114064.0048 1.4345 -5.9379 3 819.3343537 89502 303893357 893258 a-Alanine, conf. I
114073.2269 0.4732 -6.5506 3 332.8291309 89502 303513516 503615 a-Alanine, conf. I
114073.2269 0.4732 -6.5506 3 332.8291309 89502 303513517 503614 a-Alanine, conf. I
114077.0177 0.0405 -6.7688 3 57.5610147 89502 30324 816 23 914 a-Alanine, conf. I
114112.8907 1.0608 -6.8313 3 415.0489375 89502 303622835 622735 a-Alanine, conf. I
114116.7430 1.0589 -5.3217 3 415.0489375 89502 303622834 622735 a-Alanine, conf. I
114127.4558 3.5851 -5.5962 3 608.5473459 89502 303763145 763046 a-Alanine, conf. I
114147.0377 1.0451 -5.3215 3 415.0477375 89502 303622835 622736 a-Alanine, conf. I
114150.8900 1.0431 -6.8310 3 415.0477375 89502 303622834 622736 a-Alanine, conf. I
114195.3562 0.3028 -5.2785 3 203.0961285 89502 30347 839 47 740 a-Alanine, conf. I
114195.3562 0.3028 -6.5129 3 203.0961285 89502 30347 839 47 840 a-Alanine, conf. I
114195.3563 0.3028 -6.5129 3 203.0961285 89502 30347 939 47 740 a-Alanine, conf. I
114195.3563 0.3028 -5.2785 3 203.0961285 89502 30347 939 47 840 a-Alanine, conf. I
114196.3900 0.0610 -5.4050 3 135.1214189 89502 3033125 6 3124 7 a-Alanine, conf. I
114196.3900 0.0610 -6.7516 3 135.1214189 89502 3033125 6 3124 8 a-Alanine, conf. I
114196.3900 0.0610 -6.7516 3 135.1214189 89502 3033125 7 3124 7 a-Alanine, conf. I
114196.3900 0.0610 -5.4050 3 135.1214189 89502 3033125 7 3124 8 a-Alanine, conf. I
114255.7743 0.0314 -6.4962 3 69.4014129 89502 3032120 1 2020 0 a-Alanine, conf. I
114255.7743 0.0314 -6.4962 3 69.4014129 89502 3032120 2 2020 1 a-Alanine, conf. I
114266.4567 8.9757 -5.8961 3 790.0316525 89502 303873453 873354 a-Alanine, conf. I
114291.1814 0.8820 -6.5511 3 306.8322339 89502 303561442 561443 a-Alanine, conf. I
114291.2070 0.8820 -5.2502 3 306.8322339 89502 303561442 561343 a-Alanine, conf. I
114291.5142 0.8819 -5.2502 3 306.8322339 89502 303561542 561443 a-Alanine, conf. I
114291.5398 0.8819 -6.5511 3 306.8322339 89502 303561542 561343 a-Alanine, conf. I
114300.4589 0.3044 -6.6108 3 254.6468285 89502 303472622 472522 a-Alanine, conf. I
114300.4591 0.3044 -5.1890 3 254.6468285 89502 303472621 472522 a-Alanine, conf. I
114300.4625 0.3044 -5.1890 3 254.6468285 89502 303472622 472523 a-Alanine, conf. I
114300.4627 0.3044 -6.6108 3 254.6468285 89502 303472621 472523 a-Alanine, conf. I
114309.3276 1.4052 -6.6344 3 370.8347369 89502 303611744 611745 a-Alanine, conf. I
114310.0895 1.4049 -5.2960 3 370.8347369 89502 303611744 611645 a-Alanine, conf. I
114317.0986 1.4021 -5.2960 3 370.8347369 89502 303611844 611745 a-Alanine, conf. I
114317.3046 0.0135 -6.6103 3 11.5734 75 89502 30312 3 9 11 210 a-Alanine, conf. I
114317.8604 1.4018 -6.6343 3 370.8347369 89502 303611844 611645 a-Alanine, conf. I
114343.6943 0.0622 -5.4547 3 129.4772183 89502 3033025 5 3024 6 a-Alanine, conf. I
114343.6943 0.0622 -6.7972 3 129.4772183 89502 3033025 5 3024 7 a-Alanine, conf. I
114343.6943 0.0622 -6.7972 3 129.4772183 89502 3033025 6 3024 6 a-Alanine, conf. I
114343.6943 0.0622 -5.4547 3 129.4772183 89502 3033025 6 3024 7 a-Alanine, conf. I
114346.6898 0.0265 -6.1989 3 66.3517129 89502 3032119 2 2019 1 a-Alanine, conf. I
114346.6898 0.0265 -6.1989 3 66.3517129 89502 3032119 3 2019 2 a-Alanine, conf. I
114348.0591 1.3728 -6.6469 3 231.3251291 89502 303481434 471731 a-Alanine, conf. I
114410.5971 0.2556 -5.3915 3 161.5264261 89502 30343 538 43 439 a-Alanine, conf. I
114410.5971 0.2556 -6.5965 3 161.5264261 89502 30343 538 43 539 a-Alanine, conf. I
114410.5971 0.2556 -6.5965 3 161.5264261 89502 30343 638 43 439 a-Alanine, conf. I
114410.5971 0.2556 -5.3915 3 161.5264261 89502 30343 638 43 539 a-Alanine, conf. I
114453.9467 0.0223 -6.0270 3 63.4616129 89502 3032118 3 2018 2 a-Alanine, conf. I
114453.9467 0.0223 -6.0270 3 63.4616129 89502 3032118 4 2018 3 a-Alanine, conf. I
114468.8548 13.9620 -6.0023 3 849.1929549 89502 303913160 913061 a-Alanine, conf. I
114476.6758 0.0655 -5.5167 3 124.0185177 89502 3032925 4 2924 5 a-Alanine, conf. I
114476.6758 0.0655 -5.5167 3 124.0185177 89502 3032925 5 2924 6 a-Alanine, conf. I
114535.7874 0.0033 -6.1786 3 19.8045 75 89502 3031211 1 1110 1 a-Alanine, conf. I
114535.7874 0.0033 -5.0345 3 19.8045 75 89502 3031211 2 1110 1 a-Alanine, conf. I
114535.7876 0.0033 -5.0345 3 19.8045 75 89502 3031211 1 1110 2 a-Alanine, conf. I
114535.7876 0.0033 -6.1786 3 19.8045 75 89502 3031211 2 1110 2 a-Alanine, conf. I
114542.7173 1.5798 -5.4027 3 479.4713405 89502 303672938 672839 a-Alanine, conf. I
114557.5832 0.0430 -5.3206 3 34.9917117 89502 30319 713 18 612 a-Alanine, conf. I
114557.7002 0.3558 -6.1875 3 221.2258261 89502 303432617 422716 a-Alanine, conf. I
114557.7002 0.3558 -6.1875 3 221.2258261 89502 303432618 422715 a-Alanine, conf. I
114565.6933 2.0539 -5.5006 3 548.7733435 89502 303723043 722944 a-Alanine, conf. I
114581.6799 0.0192 -5.9067 3 60.7318129 89502 3032117 4 2017 3 a-Alanine, conf. I
114581.6799 0.0192 -5.9067 3 60.7318129 89502 3032117 5 2017 4 a-Alanine, conf. I
114596.3500 0.0702 -5.5965 3 118.7450171 89502 3032825 3 2824 4 a-Alanine, conf. I
114596.3500 0.0702 -5.5965 3 118.7450171 89502 3032825 4 2824 5 a-Alanine, conf. I
114644.7087 10.0322 -5.8450 3 758.0097519 89502 303862957 862858 a-Alanine, conf. I
114651.7474 0.4360 -5.2467 3 235.6753303 89502 303501040 50 941 a-Alanine, conf. I
114651.7474 0.4360 -6.5016 3 235.6753303 89502 303501040 501041 a-Alanine, conf. I
114651.7488 0.4360 -6.5016 3 235.6753303 89502 303501140 50 941 a-Alanine, conf. I
114651.7488 0.4360 -5.2467 3 235.6753303 89502 303501140 501041 a-Alanine, conf. I
114660.4732 0.0284 -5.3462 3 46.5194153 89502 30325 025 24 024 a-Alanine, conf. I
114660.4732 0.0284 -4.7176 3 46.5194153 89502 30325 025 24 124 a-Alanine, conf. I
114660.4732 0.0284 -4.7176 3 46.5194153 89502 30325 125 24 024 a-Alanine, conf. I
114660.4732 0.0284 -5.3462 3 46.5194153 89502 30325 125 24 124 a-Alanine, conf. I
114683.9854 0.3796 -5.9810 3 113.7701231 89502 30338 137 38 038 a-Alanine, conf. I
114683.9854 0.3796 -5.9810 3 113.7701231 89502 30338 237 38 138 a-Alanine, conf. I
114703.6790 0.0760 -5.7044 3 113.6564165 89502 3032725 2 2724 3 a-Alanine, conf. I
114703.6790 0.0760 -5.7044 3 113.6564165 89502 3032725 3 2724 4 a-Alanine, conf. I
114705.2075 0.6300 -6.5159 3 270.2613321 89502 303531241 531242 a-Alanine, conf. I
114705.2091 0.6300 -5.2389 3 270.2613321 89502 303531241 531142 a-Alanine, conf. I
114705.2318 0.6300 -5.2389 3 270.2613321 89502 303531341 531242 a-Alanine, conf. I
114705.2333 0.6300 -6.5159 3 270.2613321 89502 303531341 531142 a-Alanine, conf. I
114708.3122 0.4965 -6.5853 3 347.7677315 89502 303523616 513715 a-Alanine, conf. I
114708.3122 0.4965 -6.5853 3 347.7677315 89502 303523617 513714 a-Alanine, conf. I
114709.1799 1.4915 -5.4014 3 479.4649405 89502 303672939 672840 a-Alanine, conf. I
114713.2627 0.5998 -6.6997 3 334.5312333 89502 303552729 552629 a-Alanine, conf. I
114713.3360 0.5998 -5.2339 3 334.5312333 89502 303552728 552629 a-Alanine, conf. I
114714.1158 0.5995 -5.2339 3 334.5312333 89502 303552729 552630 a-Alanine, conf. I
114714.1892 0.5995 -6.6997 3 334.5312333 89502 303552728 552630 a-Alanine, conf. I
114735.4999 0.0175 -5.8148 3 58.1630129 89502 3032116 5 2016 4 a-Alanine, conf. I
114735.4999 0.0175 -5.8148 3 58.1630129 89502 3032116 6 2016 5 a-Alanine, conf. I
114784.4527 1.7760 -6.7587 3 227.1364285 89502 303471631 461928 a-Alanine, conf. I
114799.5750 0.0824 -5.8634 3 108.7524159 89502 3032625 1 2624 2 a-Alanine, conf. I
114799.5750 0.0824 -5.8634 3 108.7524159 89502 3032625 2 2624 3 a-Alanine, conf. I
114807.3911 0.2756 -6.6018 3 245.9906279 89502 303462621 462521 a-Alanine, conf. I
114807.3912 0.2756 -5.1865 3 245.9906279 89502 303462620 462521 a-Alanine, conf. I
114807.3923 0.2756 -5.1865 3 245.9906279 89502 303462621 462522 a-Alanine, conf. I
114807.3924 0.2756 -6.6018 3 245.9906279 89502 303462620 462522 a-Alanine, conf. I
114844.1562 2.3969 -5.8491 3 769.5403519 89502 303863354 863255 a-Alanine, conf. I
114882.4609 0.0142 -4.8787 3 45.4651141 89502 30323 320 22 419 a-Alanine, conf. I
114882.5686 0.0142 -5.4074 3 45.4651141 89502 30323 420 22 419 a-Alanine, conf. I
114882.7508 0.0142 -5.4074 3 45.4651141 89502 30323 320 22 319 a-Alanine, conf. I
114882.8585 0.0142 -4.8787 3 45.4651141 89502 30323 420 22 319 a-Alanine, conf. I
114884.9036 0.0890 -6.1473 3 104.0327153 89502 3032525 0 2524 1 a-Alanine, conf. I
114884.9036 0.0890 -6.1473 3 104.0327153 89502 3032525 1 2524 2 a-Alanine, conf. I
114923.2245 0.0175 -5.7411 3 55.7565129 89502 3032115 7 2015 6 a-Alanine, conf. I
114923.2246 0.0175 -5.7411 3 55.7565129 89502 3032115 6 2015 5 a-Alanine, conf. I
114959.0891 0.1823 -5.5306 3 52.9130141 89502 30323 815 22 914 a-Alanine, conf. I
114974.9947 2.8686 -5.7120 3 686.5864489 89502 303813250 813151 a-Alanine, conf. I
115109.5798 0.3703 -6.2183 3 233.3090267 89502 303442717 432816 a-Alanine, conf. I
115109.5798 0.3703 -6.2183 3 233.3090267 89502 303442718 432815 a-Alanine, conf. I
115124.9974 0.0168 -5.4648 3 42.4918129 89502 30321 715 20 714 a-Alanine, conf. I
115132.9211 2.2245 -6.7973 3 290.4466327 89502 303541539 531836 a-Alanine, conf. I
115136.0982 0.3305 -5.7625 3 87.6539177 89502 303291217 281316 a-Alanine, conf. I
115156.1224 0.0190 -5.6800 3 53.5139129 89502 3032114 8 2014 7 a-Alanine, conf. I
115156.1267 0.0190 -5.6800 3 53.5139129 89502 3032114 7 2014 6 a-Alanine, conf. I
115175.7396 1.6358 -6.6681 3 397.1571381 89502 303631845 631846 a-Alanine, conf. I
115177.4132 1.6351 -5.3182 3 397.1570381 89502 303631845 631746 a-Alanine, conf. I
115186.5597 1.1848 -6.3699 3 137.4084225 89502 303371226 361323 a-Alanine, conf. I
115191.7729 1.6289 -5.3181 3 397.1571381 89502 303631945 631846 a-Alanine, conf. I
115193.4466 1.6282 -6.6680 3 397.1570381 89502 303631945 631746 a-Alanine, conf. I
115195.1110 2.6836 -5.9608 3 836.2744543 89502 303903358 903259 a-Alanine, conf. I
115200.3407 5.8322 -5.6452 3 638.0265477 89502 303792653 792554 a-Alanine, conf. I
115252.1671 0.3157 -5.7064 3 69.1699159 89502 303261016 251115 a-Alanine, conf. I
115255.8022 0.0029 -5.0886 3 20.5131 81 89502 3031310 4 12 9 3 a-Alanine, conf. I
115255.8181 0.0029 -6.1924 3 20.5131 81 89502 3031310 3 12 9 3 a-Alanine, conf. I
115255.9174 0.0029 -6.1924 3 20.5131 81 89502 3031310 4 12 9 4 a-Alanine, conf. I
115255.9333 0.0029 -5.0886 3 20.5131 81 89502 3031310 3 12 9 4 a-Alanine, conf. I
115271.3834 0.6024 -6.4503 3 86.4611177 89502 303291118 29 821 a-Alanine, conf. I
115276.5423 0.2490 -5.1855 3 237.5268273 89502 303452619 452520 a-Alanine, conf. I
115276.5423 0.2490 -6.5946 3 237.5268273 89502 303452620 452520 a-Alanine, conf. I
115276.5427 0.2490 -6.5946 3 237.5268273 89502 303452619 452521 a-Alanine, conf. I
115276.5427 0.2490 -5.1855 3 237.5268273 89502 303452620 452521 a-Alanine, conf. I
115297.0212 0.9587 -6.8018 3 403.4926369 89502 303612834 612734 a-Alanine, conf. I
115297.7721 0.0569 -5.4886 3 40.1012123 89502 30320 812 19 811 a-Alanine, conf. I
115298.6576 0.9579 -5.3022 3 403.4926369 89502 303612833 612734 a-Alanine, conf. I
115312.3826 0.9518 -5.3021 3 403.4921369 89502 303612834 612735 a-Alanine, conf. I
115314.0189 0.9510 -6.8016 3 403.4921369 89502 303612833 612735 a-Alanine, conf. I
115338.6316 0.5180 -6.6106 3 74.4148165 89502 303271017 27 720 a-Alanine, conf. I
115346.1723 0.5214 -6.6206 3 363.0429321 89502 303533716 523815 a-Alanine, conf. I
115346.1723 0.5214 -6.6206 3 363.0429321 89502 303533717 523814 a-Alanine, conf. I
115357.5704 0.2834 -5.4572 3 150.7313255 89502 30342 438 42 339 a-Alanine, conf. I
115357.5704 0.2834 -6.6528 3 150.7313255 89502 30342 438 42 439 a-Alanine, conf. I
115357.5704 0.2834 -6.6528 3 150.7313255 89502 30342 538 42 339 a-Alanine, conf. I
115357.5704 0.2834 -5.4572 3 150.7313255 89502 30342 538 42 439 a-Alanine, conf. I
115392.0403 0.2720 -5.3023 3 191.3871279 89502 30346 739 46 640 a-Alanine, conf. I
115392.0403 0.2720 -6.5260 3 191.3871279 89502 30346 739 46 740 a-Alanine, conf. I
115392.0403 0.2720 -6.5260 3 191.3871279 89502 30346 839 46 640 a-Alanine, conf. I
115392.0403 0.2720 -5.3023 3 191.3871279 89502 30346 839 46 740 a-Alanine, conf. I
115432.8059 0.4136 -6.7859 3 63.2286153 89502 30325 916 25 619 a-Alanine, conf. I
115451.1456 0.0219 -5.6280 3 51.4376129 89502 3032113 9 2013 8 a-Alanine, conf. I
115451.2520 0.0219 -5.6280 3 51.4376129 89502 3032113 8 2013 7 a-Alanine, conf. I
115515.4846 0.5473 -6.6798 3 324.3390327 89502 303542728 542628 a-Alanine, conf. I
115515.5120 0.5473 -5.2220 3 324.3390327 89502 303542727 542628 a-Alanine, conf. I
115515.8221 0.5472 -5.2220 3 324.3389327 89502 303542728 542629 a-Alanine, conf. I
115515.8494 0.5472 -6.6798 3 324.3389327 89502 303542727 542629 a-Alanine, conf. I
115547.2586 1.0433 -6.5716 3 330.9990351 89502 303581543 581544 a-Alanine, conf. I
115547.3213 1.0433 -5.2604 3 330.9990351 89502 303581543 581444 a-Alanine, conf. I
115548.0179 1.0430 -5.2603 3 330.9990351 89502 303581643 581544 a-Alanine, conf. I
115548.0806 1.0430 -6.5716 3 330.9990351 89502 303581643 581444 a-Alanine, conf. I
115597.2323 21.1985 -6.2697 3 1004.6382597 89502 303993465 993366 a-Alanine, conf. I
115610.4578 0.4823 -6.0720 3 103.2214195 89502 303321122 311219 a-Alanine, conf. I
115674.6709 0.3855 -6.2494 3 245.7298273 89502 303452817 442916 a-Alanine, conf. I
115674.6709 0.3855 -6.2494 3 245.7298273 89502 303452818 442915 a-Alanine, conf. I
115695.8820 0.6430 -6.3089 3 99.3622189 89502 303311219 31 922 a-Alanine, conf. I
115707.5504 16.3245 -6.2149 3 976.6257585 89502 303973760 973661 a-Alanine, conf. I
115710.6093 0.2244 -5.1861 3 229.2548267 89502 303442618 442519 a-Alanine, conf. I
115710.6093 0.2244 -6.5892 3 229.2548267 89502 303442619 442519 a-Alanine, conf. I
115710.6094 0.2244 -6.5892 3 229.2548267 89502 303442618 442520 a-Alanine, conf. I
115710.6094 0.2244 -5.1861 3 229.2548267 89502 303442619 442520 a-Alanine, conf. I
115749.8956 2.5103 -5.5842 3 608.4824459 89502 303763146 763047 a-Alanine, conf. I
115784.6437 0.0048 -5.2500 3 23.0724 93 89502 30315 8 8 14 7 7 a-Alanine, conf. I
115834.7763 0.0258 -5.5830 3 49.5309129 89502 303211210 2012 9 a-Alanine, conf. I
115836.7839 0.0258 -5.5830 3 49.5310129 89502 3032112 9 2012 8 a-Alanine, conf. I
115871.7668 2.1424 -5.4745 3 535.2783429 89502 303713041 712942 a-Alanine, conf. I
115877.6140 0.0036 -5.1540 3 21.5890 87 89502 30314 9 6 13 8 5 a-Alanine, conf. I
115880.3298 0.0036 -6.2001 3 21.5890 87 89502 30314 9 5 13 8 5 a-Alanine, conf. I
115892.6851 0.5449 -6.5528 3 205.3470273 89502 303451431 441728 a-Alanine, conf. I
115892.9352 0.0036 -6.2000 3 21.5885 87 89502 30314 9 6 13 8 6 a-Alanine, conf. I
115895.6509 0.0036 -5.1539 3 21.5885 87 89502 30314 9 5 13 8 6 a-Alanine, conf. I
115897.6628 1.1329 -6.5982 3 222.4914285 89502 303471433 461730 a-Alanine, conf. I
115906.6773 1.8983 -6.7062 3 424.3283393 89502 303651946 651947 a-Alanine, conf. I
115910.2634 1.8966 -5.3445 3 424.3282393 89502 303651946 651847 a-Alanine, conf. I
115938.9933 1.8833 -5.3443 3 424.3283393 89502 303652046 651947 a-Alanine, conf. I
115942.5793 1.8816 -6.7060 3 424.3282393 89502 303652046 651847 a-Alanine, conf. I
115945.8951 0.0044 -6.2026 3 23.0724 93 89502 30315 8 7 14 7 7 a-Alanine, conf. I
115986.3984 0.5479 -6.6565 3 378.6548327 89502 303543816 533915 a-Alanine, conf. I
115986.3984 0.5479 -6.6565 3 378.6548327 89502 303543817 533914 a-Alanine, conf. I
116044.0595 0.3682 -5.2559 3 223.2847297 89502 30349 940 49 841 a-Alanine, conf. I
116044.0595 0.3682 -6.4992 3 223.2847297 89502 30349 940 49 941 a-Alanine, conf. I
116044.0597 0.3682 -6.4992 3 223.2847297 89502 303491040 49 841 a-Alanine, conf. I
116044.0597 0.3682 -5.2559 3 223.2847297 89502 303491040 49 941 a-Alanine, conf. I
116060.0254 1.4040 -5.3778 3 466.9383399 89502 303662937 662838 a-Alanine, conf. I
116066.8924 33.5702 -6.6917 3 1238.4384663 89502 303B03872 B03773 a-Alanine, conf. I
116080.9424 0.0091 -6.6071 3 11.5728 75 89502 30312 4 9 11 110 a-Alanine, conf. I
116112.0368 0.2015 -5.1884 3 221.1739261 89502 303432617 432518 a-Alanine, conf. I
116112.0368 0.2015 -6.5857 3 221.1739261 89502 303432618 432518 a-Alanine, conf. I
116112.0369 0.2015 -6.5857 3 221.1739261 89502 303432617 432519 a-Alanine, conf. I
116112.0369 0.2015 -5.1884 3 221.1739261 89502 303432618 432519 a-Alanine, conf. I
116140.8495 1.3616 -5.3772 3 466.9352399 89502 303662938 662839 a-Alanine, conf. I
116149.4100 6.1407 -5.7680 3 721.6011501 89502 303833350 833251 a-Alanine, conf. I
116180.8576 25.9806 -6.5857 3 1182.6833645 89502 303A74067 A73968 a-Alanine, conf. I
116184.2952 0.7577 -6.5270 3 293.1123333 89502 303551342 551343 a-Alanine, conf. I
116184.2994 0.7577 -5.2402 3 293.1123333 89502 303551342 551243 a-Alanine, conf. I
116184.3557 0.7577 -5.2402 3 293.1123333 89502 303551442 551343 a-Alanine, conf. I
116184.3598 0.7577 -6.5270 3 293.1123333 89502 303551442 551243 a-Alanine, conf. I
116189.5124 2.9280 -5.8145 3 753.3126513 89502 303853353 853254 a-Alanine, conf. I
116232.0239 0.3215 -5.5517 3 140.1607249 89502 30341 338 41 239 a-Alanine, conf. I
116232.0239 0.3215 -6.7383 3 140.1607249 89502 30341 338 41 339 a-Alanine, conf. I
116232.0239 0.3215 -6.7383 3 140.1607249 89502 30341 438 41 239 a-Alanine, conf. I
116232.0239 0.3215 -5.5517 3 140.1607249 89502 30341 438 41 339 a-Alanine, conf. I
116234.9377 5.1376 -5.8596 3 778.3404525 89502 303873157 873058 a-Alanine, conf. I
116237.7333 0.0339 -5.4612 3 39.3387123 89502 30320 713 19 712 a-Alanine, conf. I
116240.2561 0.0407 -5.2493 3 38.6145123 89502 30320 714 19 613 a-Alanine, conf. I
116251.0463 0.4014 -6.2811 3 258.4880279 89502 303462917 453016 a-Alanine, conf. I
116251.0463 0.4014 -6.2811 3 258.4880279 89502 303462918 453015 a-Alanine, conf. I
116258.2514 0.4998 -6.6615 3 314.3436321 89502 303532727 532627 a-Alanine, conf. I
116258.2613 0.4997 -5.2115 3 314.3436321 89502 303532726 532627 a-Alanine, conf. I
116258.3811 0.4997 -5.2115 3 314.3436321 89502 303532727 532628 a-Alanine, conf. I
116258.3910 0.4997 -6.6615 3 314.3436321 89502 303532726 532628 a-Alanine, conf. I
116266.6205 4.8182 -5.5879 3 605.0064465 89502 303772552 772453 a-Alanine, conf. I
116267.7583 1.9051 -5.4716 3 535.2629429 89502 303713042 712943 a-Alanine, conf. I
116302.8165 0.1358 -5.8532 3 91.4945183 89502 303301120 291217 a-Alanine, conf. I
116302.9845 0.0150 -4.8012 3 47.2778147 89502 30324 222 23 321 a-Alanine, conf. I
116302.9855 0.0150 -5.3722 3 47.2778147 89502 30324 322 23 321 a-Alanine, conf. I
116302.9875 0.0150 -5.3722 3 47.2778147 89502 30324 222 23 221 a-Alanine, conf. I
116302.9886 0.0150 -4.8012 3 47.2778147 89502 30324 322 23 221 a-Alanine, conf. I
116304.2031 0.0996 -5.3430 3 47.5731135 89502 30322 715 21 814 a-Alanine, conf. I
116322.5806 5.2344 -5.7998 3 742.0423513 89502 303853056 852957 a-Alanine, conf. I
116325.8425 0.5336 -6.5018 3 257.2000315 89502 303521141 521142 a-Alanine, conf. I
116325.8427 0.5336 -5.2375 3 257.2000315 89502 303521141 521042 a-Alanine, conf. I
116325.8463 0.5336 -5.2375 3 257.2000315 89502 303521241 521142 a-Alanine, conf. I
116325.8465 0.5336 -6.5018 3 257.2000315 89502 303521241 521042 a-Alanine, conf. I
116344.3736 0.0304 -5.5432 3 47.7995129 89502 303211111 201110 a-Alanine, conf. I
116372.5418 0.0311 -5.5430 3 47.7999129 89502 303211110 2011 9 a-Alanine, conf. I
116382.0993 0.8710 -6.7743 3 392.1386363 89502 303602833 602733 a-Alanine, conf. I
116382.7770 0.8707 -5.2842 3 392.1386363 89502 303602832 602733 a-Alanine, conf. I
116388.8330 0.8680 -5.2841 3 392.1383363 89502 303602833 602734 a-Alanine, conf. I
116389.5108 0.8677 -6.7742 3 392.1383363 89502 303602832 602734 a-Alanine, conf. I
116436.7083 4.7611 -5.9200 3 815.4504537 89502 303893258 893159 a-Alanine, conf. I
116437.9619 1.7119 -6.4862 3 168.5481249 89502 303411329 401426 a-Alanine, conf. I
116444.4743 0.0052 -6.2000 3 23.0504 93 89502 30315 8 8 14 7 8 a-Alanine, conf. I
116483.0528 0.1803 -5.1925 3 213.2836255 89502 303422616 422517 a-Alanine, conf. I
116483.0528 0.1803 -6.5842 3 213.2836255 89502 303422616 422518 a-Alanine, conf. I
116483.0528 0.1803 -6.5842 3 213.2836255 89502 303422617 422517 a-Alanine, conf. I
116483.0528 0.1803 -5.1925 3 213.2836255 89502 303422617 422518 a-Alanine, conf. I
116487.9851 2.1997 -6.7488 3 452.3456405 89502 303672047 672048 a-Alanine, conf. I
116488.5854 0.1596 -6.1126 3 121.1331207 89502 303341420 341123 a-Alanine, conf. I
116495.4911 2.1958 -5.3747 3 452.3454405 89502 303672047 671948 a-Alanine, conf. I
116496.2215 0.2647 -5.3360 3 179.8955273 89502 30345 639 45 540 a-Alanine, conf. I
116496.2215 0.2647 -6.5495 3 179.8955273 89502 30345 639 45 640 a-Alanine, conf. I
116496.2215 0.2647 -6.5495 3 179.8955273 89502 30345 739 45 540 a-Alanine, conf. I
116496.2215 0.2647 -5.3360 3 179.8955273 89502 30345 739 45 640 a-Alanine, conf. I
116530.5849 0.8494 -6.5641 3 213.8294279 89502 303461432 451729 a-Alanine, conf. I
116551.6908 2.1679 -5.3743 3 452.3456405 89502 303672147 672048 a-Alanine, conf. I
116559.1968 2.1640 -6.7482 3 452.3454405 89502 303672147 671948 a-Alanine, conf. I
116579.7078 5.1110 -5.7413 3 706.5577501 89502 303832955 832856 a-Alanine, conf. I
116587.2813 0.0285 -6.3025 3 14.5579 81 89502 30313 4 9 12 310 a-Alanine, conf. I
116593.3038 1.0648 -5.9879 3 857.2763549 89502 303913458 913359 a-Alanine, conf. I
116605.7256 0.0063 -5.2462 3 23.0504 93 89502 30315 8 7 14 7 8 a-Alanine, conf. I
116614.9117 0.2562 -6.1693 3 114.6831201 89502 303331419 331122 a-Alanine, conf. I
116618.4278 0.0155 -5.0271 3 44.9717135 89502 30322 517 21 616 a-Alanine, conf. I
116628.6289 0.5761 -6.6929 3 394.6033333 89502 303553916 544015 a-Alanine, conf. I
116628.6289 0.5761 -6.6929 3 394.6033333 89502 303553917 544014 a-Alanine, conf. I
116670.4734 0.1724 -6.7905 3 63.1873153 89502 30325 916 241014 a-Alanine, conf. I
116692.2844 10.3199 -5.9747 3 844.3068543 89502 303903555 903456 a-Alanine, conf. I
116698.6072 1.2249 -6.5967 3 356.0229363 89502 303601644 601645 a-Alanine, conf. I
116698.7558 1.2249 -5.2750 3 356.0229363 89502 303601644 601545 a-Alanine, conf. I
116700.2891 1.2243 -5.2750 3 356.0229363 89502 303601744 601645 a-Alanine, conf. I
116700.4377 1.2242 -6.5967 3 356.0229363 89502 303601744 601545 a-Alanine, conf. I
116702.2424 2.9666 -5.5587 3 594.2324453 89502 303753144 753045 a-Alanine, conf. I
116713.1594 0.0154 -5.4293 3 44.9717135 89502 30322 617 21 616 a-Alanine, conf. I
116723.4004 0.0150 -5.4495 3 42.3756129 89502 30321 615 20 614 a-Alanine, conf. I
116735.3142 0.1480 -5.7571 3 93.0884183 89502 303301219 291316 a-Alanine, conf. I
116805.5599 2.9345 -5.6773 3 671.3220483 89502 303803249 803150 a-Alanine, conf. I
116825.6972 0.1608 -5.1984 3 205.5834249 89502 303412615 412516 a-Alanine, conf. I
116825.6972 0.1608 -6.5848 3 205.5834249 89502 303412615 412517 a-Alanine, conf. I
116825.6972 0.1608 -6.5848 3 205.5834249 89502 303412616 412516 a-Alanine, conf. I
116825.6972 0.1608 -5.1984 3 205.5834249 89502 303412616 412517 a-Alanine, conf. I
116830.8611 0.0156 -5.4283 3 44.9646135 89502 30322 517 21 516 a-Alanine, conf. I
116837.0999 0.4181 -6.3132 3 271.5837285 89502 303473017 463116 a-Alanine, conf. I
116837.0999 0.4181 -6.3132 3 271.5837285 89502 303473018 463115 a-Alanine, conf. I
116855.7941 1.7834 -5.9569 3 840.1169543 89502 303903457 903358 a-Alanine, conf. I
116871.4675 4.2190 -5.6561 3 656.3377477 89502 303793247 793148 a-Alanine, conf. I
116877.9838 0.0218 -6.3170 3 22.8533 99 89502 30316 412 15 312 a-Alanine, conf. I
116882.6157 4.0449 -5.5362 3 572.8097453 89502 303752451 752352 a-Alanine, conf. I
116900.0766 2.5506 -6.7958 3 481.2060417 89502 303692148 692149 a-Alanine, conf. I
116902.0821 4.8338 -5.6848 3 671.8893489 89502 303812854 812755 a-Alanine, conf. I
116915.4464 2.5419 -5.4089 3 481.2055417 89502 303692148 692049 a-Alanine, conf. I
116925.5927 0.0159 -5.0246 3 44.9646135 89502 30322 617 21 516 a-Alanine, conf. I
116946.7123 0.4563 -6.6449 3 304.5442315 89502 303522726 522626 a-Alanine, conf. I
116946.7158 0.4563 -5.2022 3 304.5442315 89502 303522725 522626 a-Alanine, conf. I
116946.7607 0.4563 -5.2022 3 304.5442315 89502 303522726 522627 a-Alanine, conf. I
116946.7642 0.4563 -6.6449 3 304.5442315 89502 303522725 522627 a-Alanine, conf. I
116955.1440 0.0181 -6.2432 3 23.9070 99 89502 30316 611 15 511 a-Alanine, conf. I
116981.6629 0.0348 -5.5078 3 46.2507129 89502 303211012 201011 a-Alanine, conf. I
117023.0219 2.4849 -5.4081 3 481.2060417 89502 303692248 692149 a-Alanine, conf. I
117025.9472 1.6635 -6.0156 3 874.6087555 89502 303923459 923360 a-Alanine, conf. I
117038.3917 2.4763 -6.7948 3 481.2055417 89502 303692248 692049 a-Alanine, conf. I
117039.8904 0.3654 -5.6982 3 129.8170243 89502 30340 238 40 139 a-Alanine, conf. I
117039.8904 0.3654 -5.6982 3 129.8170243 89502 30340 338 40 239 a-Alanine, conf. I
117040.9776 0.0260 -5.4626 3 43.6690129 89502 30321 814 20 813 a-Alanine, conf. I
117052.5482 4.0692 -5.9803 3 853.3719549 89502 303913359 913260 a-Alanine, conf. I
117090.0604 0.0731 -6.7690 3 62.2193153 89502 30325 817 24 915 a-Alanine, conf. I
117094.5659 0.6139 -6.1923 3 113.1120201 89502 303331320 331023 a-Alanine, conf. I
117137.7294 0.0425 -6.0196 3 17.7617 87 89502 30314 5 9 13 410 a-Alanine, conf. I
117139.8086 0.2877 -5.9380 3 97.2380189 89502 303311121 301218 a-Alanine, conf. I
117141.8465 0.1428 -5.2065 3 198.0727243 89502 303402614 402515 a-Alanine, conf. I
117141.8465 0.1428 -6.5877 3 198.0727243 89502 303402614 402516 a-Alanine, conf. I
117141.8465 0.1428 -6.5877 3 198.0727243 89502 303402615 402515 a-Alanine, conf. I
117141.8465 0.1428 -5.2065 3 198.0727243 89502 303402615 402516 a-Alanine, conf. I
117143.6384 2.6556 -6.7810 3 290.3801327 89502 303541639 531736 a-Alanine, conf. I
117145.6816 2.9491 -5.4471 3 510.9053429 89502 303712249 712150 a-Alanine, conf. I
117151.4555 3.4388 -5.4894 3 541.4413441 89502 303732350 732251 a-Alanine, conf. I
117156.7389 8.0674 -5.7699 3 722.1295507 89502 303842856 842757 a-Alanine, conf. I
117160.8558 0.0048 -6.5138 3 13.1811 75 89502 30312 6 7 11 3 8 a-Alanine, conf. I
117207.1363 4.4636 -5.6307 3 638.0402477 89502 303792753 792654 a-Alanine, conf. I
117234.6017 0.0415 -6.1528 3 27.6121105 89502 30317 611 16 511 a-Alanine, conf. I
117262.6060 0.0405 -5.5056 3 46.2568129 89502 303211011 201010 a-Alanine, conf. I
117263.5672 2.1548 -6.5761 3 202.7942273 89502 303451432 441529 a-Alanine, conf. I
117272.5425 0.6062 -6.7299 3 410.8882339 89502 303564016 554115 a-Alanine, conf. I
117272.5425 0.6062 -6.7299 3 410.8882339 89502 303564017 554114 a-Alanine, conf. I
117327.1301 0.3183 -5.2716 3 211.1063291 89502 30348 840 48 741 a-Alanine, conf. I
117327.1301 0.3183 -6.5039 3 211.1063291 89502 30348 840 48 841 a-Alanine, conf. I
117327.1301 0.3183 -6.5039 3 211.1063291 89502 30348 940 48 741 a-Alanine, conf. I
117327.1301 0.3183 -5.2716 3 211.1063291 89502 30348 940 48 841 a-Alanine, conf. I
117347.2884 2.8353 -5.4456 3 510.9063429 89502 303712349 712250 a-Alanine, conf. I
117381.3093 0.7940 -6.7486 3 380.9854357 89502 303592832 592732 a-Alanine, conf. I
117381.5829 0.7938 -5.2675 3 380.9854357 89502 303592831 592732 a-Alanine, conf. I
117384.1854 0.7927 -5.2675 3 380.9853357 89502 303592832 592733 a-Alanine, conf. I
117384.4590 0.7926 -6.7486 3 380.9853357 89502 303592831 592733 a-Alanine, conf. I
117402.8126 0.2898 -5.8534 3 133.9724213 89502 303351719 341816 a-Alanine, conf. I
117419.6788 0.2914 -5.8532 3 133.9723213 89502 303351718 341817 a-Alanine, conf. I
117419.8497 0.2810 -5.8249 3 125.1033207 89502 303341619 331716 a-Alanine, conf. I
117429.2988 1.2616 -5.3547 3 454.6122393 89502 303652936 652837 a-Alanine, conf. I
117431.4819 0.4357 -6.3458 3 285.0165291 89502 303483117 473216 a-Alanine, conf. I
117431.4819 0.4357 -6.3458 3 285.0165291 89502 303483118 473215 a-Alanine, conf. I
117433.2336 0.1263 -5.2169 3 190.7511237 89502 303392613 392514 a-Alanine, conf. I
117433.2336 0.1263 -6.5930 3 190.7511237 89502 303392613 392515 a-Alanine, conf. I
117433.2336 0.1263 -6.5930 3 190.7511237 89502 303392614 392514 a-Alanine, conf. I
117433.2336 0.1263 -5.2169 3 190.7511237 89502 303392614 392515 a-Alanine, conf. I
117435.2217 4.0495 -5.5795 3 605.0138465 89502 303772652 772553 a-Alanine, conf. I
117467.5286 1.2418 -5.3544 3 454.6108393 89502 303652937 652838 a-Alanine, conf. I
117473.5336 0.0344 -5.4785 3 44.8863129 89502 30321 913 20 912 a-Alanine, conf. I
117490.1176 0.2870 -5.8243 3 125.1033207 89502 303341618 331717 a-Alanine, conf. I
117504.7096 0.2989 -5.8820 3 143.1830219 89502 303361819 351916 a-Alanine, conf. I
117508.5206 0.2993 -5.8820 3 143.1830219 89502 303361818 351917 a-Alanine, conf. I
117516.4406 0.2791 -5.3829 3 168.6241267 89502 30344 539 44 440 a-Alanine, conf. I
117516.4406 0.2791 -6.5867 3 168.6241267 89502 30344 539 44 540 a-Alanine, conf. I
117516.4406 0.2791 -6.5867 3 168.6241267 89502 30344 639 44 440 a-Alanine, conf. I
117516.4406 0.2791 -5.3829 3 168.6241267 89502 30344 639 44 540 a-Alanine, conf. I
117521.4483 3.2179 -5.4868 3 541.4433441 89502 303732450 732351 a-Alanine, conf. I
117547.4082 3.6268 -5.5314 3 572.8136453 89502 303752551 752452 a-Alanine, conf. I
117560.8555 0.2705 -5.7970 3 116.5772201 89502 303331519 321616 a-Alanine, conf. I
117570.9673 0.9026 -6.5432 3 316.8257345 89502 303571443 571444 a-Alanine, conf. I
117570.9781 0.9026 -5.2466 3 316.8257345 89502 303571443 571344 a-Alanine, conf. I
117571.1124 0.9025 -5.2466 3 316.8257345 89502 303571543 571444 a-Alanine, conf. I
117571.1232 0.9025 -6.5432 3 316.8257345 89502 303571543 571344 a-Alanine, conf. I
117582.2549 2.3783 -5.5523 3 594.1976453 89502 303753145 753046 a-Alanine, conf. I
117585.3232 0.4165 -6.6299 3 294.9399309 89502 303512725 512625 a-Alanine, conf. I
117585.3244 0.4165 -5.1942 3 294.9399309 89502 303512724 512625 a-Alanine, conf. I
117585.3407 0.4165 -5.1942 3 294.9399309 89502 303512725 512626 a-Alanine, conf. I
117585.3419 0.4165 -6.6299 3 294.9399309 89502 303512724 512626 a-Alanine, conf. I
117629.5634 0.0167 -6.3121 3 22.8594 99 89502 30316 512 15 412 a-Alanine, conf. I
117636.9234 15.5836 -6.0810 3 905.4723567 89502 303943262 943163 a-Alanine, conf. I
117670.8052 1.8705 -5.4455 3 521.9684423 89502 303703040 702941 a-Alanine, conf. I
117701.4651 0.1116 -5.2298 3 183.6180231 89502 303382612 382513 a-Alanine, conf. I
117701.4651 0.1116 -6.6011 3 183.6180231 89502 303382612 382514 a-Alanine, conf. I
117701.4651 0.1116 -6.6011 3 183.6180231 89502 303382613 382513 a-Alanine, conf. I
117701.4651 0.1116 -5.2298 3 183.6180231 89502 303382613 382514 a-Alanine, conf. I
117703.8493 0.3089 -5.9107 3 152.7344225 89502 303371919 362016 a-Alanine, conf. I
117704.6660 0.3090 -5.9107 3 152.7344225 89502 303371918 362017 a-Alanine, conf. I
117720.6232 2.6320 -5.9231 3 823.1391537 89502 303893456 893357 a-Alanine, conf. I
117724.3218 0.2164 -5.7529 3 100.5637189 89502 303311319 301416 a-Alanine, conf. I
117739.5516 1.4294 -6.6263 3 381.9015375 89502 303621745 621746 a-Alanine, conf. I
117739.8932 1.4292 -5.2938 3 381.9015375 89502 303621745 621646 a-Alanine, conf. I
117740.2868 0.0203 -5.3375 3 48.9022153 89502 30325 124 24 123 a-Alanine, conf. I
117740.2868 0.0203 -4.7342 3 48.9022153 89502 30325 124 24 223 a-Alanine, conf. I
117740.2868 0.0203 -4.7342 3 48.9022153 89502 30325 224 24 123 a-Alanine, conf. I
117740.2868 0.0203 -5.3375 3 48.9022153 89502 30325 224 24 223 a-Alanine, conf. I
117743.1782 1.4278 -5.2938 3 381.9015375 89502 303621845 621746 a-Alanine, conf. I
117743.5199 1.4277 -6.6263 3 381.9015375 89502 303621845 621646 a-Alanine, conf. I
117756.3768 0.2527 -5.7713 3 108.3961195 89502 303321419 311516 a-Alanine, conf. I
117786.3953 0.4120 -5.9703 3 119.7022237 89502 30339 138 39 039 a-Alanine, conf. I
117786.3953 0.4120 -5.9703 3 119.7022237 89502 30339 238 39 139 a-Alanine, conf. I
117815.2635 0.4506 -5.2411 3 244.3450309 89502 303511041 51 942 a-Alanine, conf. I
117815.2635 0.4506 -6.4933 3 244.3450309 89502 303511041 511042 a-Alanine, conf. I
117815.2640 0.4506 -5.2411 3 244.3450309 89502 303511141 511042 a-Alanine, conf. I
117815.2641 0.4506 -6.4933 3 244.3450309 89502 303511141 51 942 a-Alanine, conf. I
117833.5936 0.2905 -5.7948 3 116.5769201 89502 303331518 321617 a-Alanine, conf. I
117845.3029 37.0858 -6.8058 3 1305.9004681 89502 303B33974 B33875 a-Alanine, conf. I
117856.4886 3.2254 -5.7787 3 737.2825507 89502 303843352 843253 a-Alanine, conf. I
117871.1129 1.7511 -5.4441 3 521.9607423 89502 303703041 702942 a-Alanine, conf. I
117916.1028 0.6469 -6.5080 3 279.5920327 89502 303541242 541243 a-Alanine, conf. I
117916.1034 0.6469 -5.2344 3 279.5920327 89502 303541242 541143 a-Alanine, conf. I
117916.1129 0.6469 -5.2344 3 279.5920327 89502 303541342 541243 a-Alanine, conf. I
117916.1135 0.6469 -6.5080 3 279.5920327 89502 303541342 541143 a-Alanine, conf. I
117917.8523 0.6382 -6.7675 3 427.5096345 89502 303574116 564215 a-Alanine, conf. I
117917.8523 0.6382 -6.7675 3 427.5096345 89502 303574117 564214 a-Alanine, conf. I
117948.0356 0.0986 -5.2457 3 176.6730225 89502 303372611 372512 a-Alanine, conf. I
117948.0356 0.0986 -6.6122 3 176.6730225 89502 303372611 372513 a-Alanine, conf. I
117948.0356 0.0986 -6.6122 3 176.6730225 89502 303372612 372512 a-Alanine, conf. I
117948.0356 0.0986 -5.2457 3 176.6730225 89502 303372612 372513 a-Alanine, conf. I
117960.8696 2.0990 -6.7331 3 280.5780321 89502 303531538 521835 a-Alanine, conf. I
117979.6125 0.3199 -5.9397 3 162.6259231 89502 303382019 372116 a-Alanine, conf. I
117979.7795 0.3199 -5.9397 3 162.6259231 89502 303382018 372117 a-Alanine, conf. I
118017.4498 0.0159 -4.9144 3 47.2405141 89502 30323 419 22 518 a-Alanine, conf. I
118019.9741 0.0159 -5.3961 3 47.2405141 89502 30323 519 22 518 a-Alanine, conf. I
118023.7826 0.0159 -5.3960 3 47.2403141 89502 30323 419 22 418 a-Alanine, conf. I
118026.3069 0.0160 -4.9144 3 47.2403141 89502 30323 519 22 418 a-Alanine, conf. I
118033.0491 0.4541 -6.3789 3 298.7865297 89502 303493217 483316 a-Alanine, conf. I
118033.0491 0.4541 -6.3789 3 298.7865297 89502 303493218 483315 a-Alanine, conf. I
118063.9482 11.2222 -5.9148 3 811.2894537 89502 303893059 892960 a-Alanine, conf. I
118066.2691 0.0463 -5.7168 3 21.1894 93 89502 30315 6 9 14 510 a-Alanine, conf. I
118174.3401 0.0876 -5.2648 3 169.9157219 89502 303362610 362511 a-Alanine, conf. I
118174.3401 0.0876 -6.6269 3 169.9157219 89502 303362610 362512 a-Alanine, conf. I
118174.3401 0.0876 -6.6269 3 169.9157219 89502 303362611 362511 a-Alanine, conf. I
118174.3401 0.0876 -5.2648 3 169.9157219 89502 303362611 362512 a-Alanine, conf. I
118177.3928 18.3187 -6.3076 3 1036.7596603 89502 303A03862 A03763 a-Alanine, conf. I
118177.9922 0.3798 -6.6164 3 285.5300303 89502 303502724 502624 a-Alanine, conf. I
118177.9926 0.3798 -5.1875 3 285.5300303 89502 303502723 502624 a-Alanine, conf. I
118177.9984 0.3798 -5.1875 3 285.5300303 89502 303502724 502625 a-Alanine, conf. I
118177.9988 0.3798 -6.6164 3 285.5300303 89502 303502723 502625 a-Alanine, conf. I
118197.1293 3.0739 -6.0398 3 892.1056561 89502 303933460 933361 a-Alanine, conf. I
118258.2573 0.0130 -6.1914 3 24.8605 99 89502 30316 710 15 610 a-Alanine, conf. I
118268.7809 23.6043 -6.3631 3 1065.6621615 89502 303A23567 A23468 a-Alanine, conf. I
118275.7028 0.0138 -6.1256 3 28.2279105 89502 30317 710 16 610 a-Alanine, conf. I
118304.5374 0.7254 -6.7248 3 370.0317351 89502 303582831 582731 a-Alanine, conf. I
118304.6450 0.7254 -5.2521 3 370.0317351 89502 303582830 582731 a-Alanine, conf. I
118305.7341 0.7249 -5.2521 3 370.0317351 89502 303582831 582732 a-Alanine, conf. I
118305.8417 0.7249 -6.7248 3 370.0317351 89502 303582830 582732 a-Alanine, conf. I
118315.8203 0.3316 -5.9688 3 172.8569237 89502 303392119 382216 a-Alanine, conf. I
118315.8530 0.3316 -5.9688 3 172.8569237 89502 303392118 382217 a-Alanine, conf. I
118381.6844 0.0789 -5.2879 3 163.3457213 89502 3033526 9 352510 a-Alanine, conf. I
118381.6844 0.0789 -6.6455 3 163.3457213 89502 3033526 9 352511 a-Alanine, conf. I
118381.6844 0.0789 -6.6455 3 163.3457213 89502 303352610 352510 a-Alanine, conf. I
118381.6844 0.0789 -5.2879 3 163.3457213 89502 303352610 352511 a-Alanine, conf. I
118460.0327 0.3099 -5.4483 3 157.5750261 89502 30343 439 43 340 a-Alanine, conf. I
118460.0327 0.3099 -6.6429 3 157.5750261 89502 30343 439 43 440 a-Alanine, conf. I
118460.0327 0.3099 -6.6429 3 157.5750261 89502 30343 539 43 340 a-Alanine, conf. I
118460.0327 0.3099 -5.4483 3 157.5750261 89502 30343 539 43 440 a-Alanine, conf. I
118511.9837 0.2903 -5.2952 3 199.1430285 89502 30347 740 47 641 a-Alanine, conf. I
118511.9837 0.2903 -6.5171 3 199.1430285 89502 30347 740 47 741 a-Alanine, conf. I
118511.9837 0.2903 -6.5171 3 199.1430285 89502 30347 840 47 641 a-Alanine, conf. I
118511.9837 0.2903 -5.2952 3 199.1430285 89502 30347 840 47 741 a-Alanine, conf. I
118564.3014 0.6721 -6.8057 3 444.4672351 89502 303584216 574315 a-Alanine, conf. I
118564.3014 0.6721 -6.8057 3 444.4672351 89502 303584217 574314 a-Alanine, conf. I
118571.2944 0.0728 -5.3155 3 156.9626207 89502 3033426 8 3425 9 a-Alanine, conf. I
118571.2944 0.0728 -6.6689 3 156.9626207 89502 3033426 8 342510 a-Alanine, conf. I
118571.2944 0.0728 -6.6689 3 156.9626207 89502 3033426 9 3425 9 a-Alanine, conf. I
118571.2944 0.0728 -5.3155 3 156.9626207 89502 3033426 9 342510 a-Alanine, conf. I
118608.9097 0.0338 -5.1720 3 42.3756129 89502 30321 715 20 614 a-Alanine, conf. I
118640.8257 0.4736 -6.4126 3 312.8936303 89502 303503317 493416 a-Alanine, conf. I
118640.8257 0.4736 -6.4126 3 312.8936303 89502 303503318 493415 a-Alanine, conf. I
118646.0685 0.4046 -6.5158 3 83.7059171 89502 303281315 281018 a-Alanine, conf. I
118663.2548 1.6595 -6.6603 3 408.6323387 89502 303641846 641847 a-Alanine, conf. I
118664.0192 1.6592 -5.3168 3 408.6323387 89502 303641846 641747 a-Alanine, conf. I
118670.8819 1.6560 -5.3167 3 408.6323387 89502 303641946 641847 a-Alanine, conf. I
118671.6463 1.6557 -6.6602 3 408.6323387 89502 303641946 641747 a-Alanine, conf. I
118677.4701 1.1422 -5.3332 3 442.4908387 89502 303642935 642836 a-Alanine, conf. I
118695.0946 1.1332 -5.3331 3 442.4902387 89502 303642936 642837 a-Alanine, conf. I
118700.2919 0.3440 -5.9982 3 183.4271243 89502 303402219 392316 a-Alanine, conf. I
118700.2981 0.3440 -5.9982 3 183.4271243 89502 303402218 392317 a-Alanine, conf. I
118702.0342 2.8752 -5.6429 3 656.2642477 89502 303793248 793149 a-Alanine, conf. I
118727.1562 0.3118 -5.7630 3 108.3946195 89502 303321418 311517 a-Alanine, conf. I
118728.1823 0.3460 -6.6046 3 276.3137297 89502 303492723 492623 a-Alanine, conf. I
118728.1824 0.3460 -5.1821 3 276.3137297 89502 303492722 492623 a-Alanine, conf. I
118728.1844 0.3460 -5.1821 3 276.3137297 89502 303492723 492624 a-Alanine, conf. I
118728.1845 0.3460 -6.6046 3 276.3137297 89502 303492722 492624 a-Alanine, conf. I
118728.5275 7.1296 -5.8399 3 773.5312519 89502 303863452 863353 a-Alanine, conf. I
118744.3234 0.0695 -5.3488 3 150.7659201 89502 3033326 7 3325 8 a-Alanine, conf. I
118744.3234 0.0695 -6.6981 3 150.7659201 89502 3033326 7 3325 9 a-Alanine, conf. I
118744.3234 0.0695 -6.6981 3 150.7659201 89502 3033326 8 3325 8 a-Alanine, conf. I
118744.3234 0.0695 -5.3488 3 150.7659201 89502 3033326 8 3325 9 a-Alanine, conf. I
118807.9863 0.0125 -6.4101 3 21.6709 99 89502 30316 313 15 213 a-Alanine, conf. I
118855.7782 2.4905 -6.6453 3 240.1029297 89502 303491535 481632 a-Alanine, conf. I
118860.3386 0.0286 -5.1218 3 46.3320135 89502 30322 616 21 715 a-Alanine, conf. I
118861.5278 1.0659 -6.5642 3 341.3992357 89502 303591544 591545 a-Alanine, conf. I
118861.5547 1.0659 -5.2577 3 341.3992357 89502 303591544 591445 a-Alanine, conf. I
118861.8653 1.0658 -5.2577 3 341.3992357 89502 303591644 591545 a-Alanine, conf. I
118861.8922 1.0658 -6.5642 3 341.3992357 89502 303591644 591445 a-Alanine, conf. I
118876.1987 0.0121 -6.4096 3 21.6712 99 89502 30316 413 15 313 a-Alanine, conf. I
118880.7899 2.5251 -5.5250 3 580.1400447 89502 303743143 743044 a-Alanine, conf. I
118896.3535 6.5765 -5.7026 3 687.0571495 89502 303822755 822656 a-Alanine, conf. I
118901.8596 0.0689 -5.3891 3 144.7554195 89502 3033226 6 3225 7 a-Alanine, conf. I
118901.8596 0.0689 -6.7344 3 144.7554195 89502 3033226 6 3225 8 a-Alanine, conf. I
118901.8596 0.0689 -6.7344 3 144.7554195 89502 3033226 7 3225 7 a-Alanine, conf. I
118901.8596 0.0689 -5.3891 3 144.7554195 89502 3033226 7 3225 8 a-Alanine, conf. I
118936.3656 28.6832 -6.6905 3 1248.6077663 89502 303B04169 B04070 a-Alanine, conf. I
119044.9312 0.0709 -5.4385 3 138.9306189 89502 3033126 5 3125 6 a-Alanine, conf. I
119044.9312 0.0709 -6.7800 3 138.9306189 89502 3033126 5 3125 7 a-Alanine, conf. I
119044.9312 0.0709 -6.7800 3 138.9306189 89502 3033126 6 3125 6 a-Alanine, conf. I
119044.9312 0.0709 -5.4385 3 138.9306189 89502 3033126 6 3125 7 a-Alanine, conf. I
119061.5138 3.2531 -5.8873 3 806.3511531 89502 303883455 883356 a-Alanine, conf. I
119123.8357 0.3570 -6.0279 3 194.3360249 89502 303412319 402416 a-Alanine, conf. I
119123.8369 0.3570 -6.0279 3 194.3360249 89502 303412318 402417 a-Alanine, conf. I
119159.5751 0.6638 -6.7026 3 359.2766345 89502 303572830 572730 a-Alanine, conf. I
119159.6163 0.6638 -5.2380 3 359.2766345 89502 303572829 572730 a-Alanine, conf. I
119160.0599 0.6636 -5.2380 3 359.2765345 89502 303572830 572731 a-Alanine, conf. I
119160.1011 0.6636 -6.7026 3 359.2765345 89502 303572829 572731 a-Alanine, conf. I
119161.5229 11.7811 -6.0576 3 900.3534561 89502 303933657 933558 a-Alanine, conf. I
119174.5115 0.0748 -5.5002 3 133.2913183 89502 3033026 4 3025 5 a-Alanine, conf. I
119174.5115 0.0748 -5.5002 3 133.2913183 89502 3033026 5 3025 6 a-Alanine, conf. I
119179.1024 0.0323 -5.3036 3 50.3440159 89502 30326 026 25 025 a-Alanine, conf. I
119179.1024 0.0323 -4.6745 3 50.3440159 89502 30326 026 25 125 a-Alanine, conf. I
119179.1024 0.0323 -4.6745 3 50.3440159 89502 30326 126 25 025 a-Alanine, conf. I
119179.1024 0.0323 -5.3036 3 50.3440159 89502 30326 126 25 125 a-Alanine, conf. I
119188.1729 0.3832 -5.2501 3 231.6996303 89502 30350 941 50 842 a-Alanine, conf. I
119188.1729 0.3832 -6.4911 3 231.6996303 89502 30350 941 50 942 a-Alanine, conf. I
119188.1730 0.3832 -6.4911 3 231.6996303 89502 303501041 50 842 a-Alanine, conf. I
119188.1730 0.3832 -5.2501 3 231.6996303 89502 303501041 50 942 a-Alanine, conf. I
119218.5252 0.0604 -5.4644 3 44.9406129 89502 30321 912 20 911 a-Alanine, conf. I
119230.3452 0.0049 -6.1168 3 21.4453 75 89502 3031212 0 1111 0 a-Alanine, conf. I
119230.3452 0.0049 -4.9563 3 21.4453 75 89502 3031212 0 1111 1 a-Alanine, conf. I
119230.3452 0.0049 -4.9563 3 21.4453 75 89502 3031212 1 1111 0 a-Alanine, conf. I
119230.3452 0.0049 -6.1168 3 21.4453 75 89502 3031212 1 1111 1 a-Alanine, conf. I
119238.9866 0.3146 -6.5943 3 267.2904291 89502 303482722 482622 a-Alanine, conf. I
119238.9867 0.3146 -5.1782 3 267.2904291 89502 303482721 482622 a-Alanine, conf. I
119238.9873 0.3146 -5.1782 3 267.2904291 89502 303482722 482623 a-Alanine, conf. I
119238.9874 0.3146 -6.5943 3 267.2904291 89502 303482721 482623 a-Alanine, conf. I
119253.9741 0.4942 -6.4468 3 327.3376309 89502 303513417 503516 a-Alanine, conf. I
119253.9741 0.4942 -6.4468 3 327.3376309 89502 303513418 503515 a-Alanine, conf. I
119268.7778 1.6609 -5.4187 3 508.8693417 89502 303693039 692940 a-Alanine, conf. I
119291.5239 0.0801 -5.5799 3 127.8370177 89502 3032926 3 2925 4 a-Alanine, conf. I
119291.5239 0.0801 -5.5799 3 127.8370177 89502 3032926 4 2925 5 a-Alanine, conf. I
119333.3656 0.3507 -5.5426 3 146.7507255 89502 30342 339 42 240 a-Alanine, conf. I
119333.3656 0.3507 -6.7284 3 146.7507255 89502 30342 339 42 340 a-Alanine, conf. I
119333.3656 0.3507 -6.7284 3 146.7507255 89502 30342 439 42 240 a-Alanine, conf. I
119333.3656 0.3507 -5.5426 3 146.7507255 89502 30342 439 42 340 a-Alanine, conf. I
119344.2451 2.2148 -5.5216 3 580.1219447 89502 303743144 743045 a-Alanine, conf. I
119367.4680 1.6026 -5.4180 3 508.8655417 89502 303693040 692941 a-Alanine, conf. I
119384.8512 0.5823 -6.5717 3 216.0794279 89502 303461531 451828 a-Alanine, conf. I
119396.8450 0.0865 -5.6876 3 122.5675171 89502 3032826 2 2825 3 a-Alanine, conf. I
119396.8450 0.0865 -5.6876 3 122.5675171 89502 3032826 3 2825 4 a-Alanine, conf. I
119400.5001 0.0159 -4.8274 3 49.2972147 89502 30324 321 23 420 a-Alanine, conf. I
119400.5396 0.0159 -5.3623 3 49.2972147 89502 30324 421 23 420 a-Alanine, conf. I
119400.6077 0.0159 -5.3623 3 49.2972147 89502 30324 321 23 320 a-Alanine, conf. I
119400.6472 0.0159 -4.8274 3 49.2972147 89502 30324 421 23 320 a-Alanine, conf. I
119419.9279 0.7766 -6.5198 3 302.8488339 89502 303561343 561344 a-Alanine, conf. I
119419.9296 0.7766 -5.2368 3 302.8488339 89502 303561343 561244 a-Alanine, conf. I
119419.9535 0.7766 -5.2368 3 302.8488339 89502 303561443 561344 a-Alanine, conf. I
119419.9552 0.7766 -6.5198 3 302.8488339 89502 303561443 561244 a-Alanine, conf. I
119461.2719 1.9193 -6.6985 3 436.2125399 89502 303661947 661948 a-Alanine, conf. I
119462.9397 1.9184 -5.3437 3 436.2125399 89502 303661947 661848 a-Alanine, conf. I
119475.5648 5.8228 -5.9327 3 832.2891543 89502 303903259 903160 a-Alanine, conf. I
119476.9421 1.9115 -5.3436 3 436.2125399 89502 303662047 661948 a-Alanine, conf. I
119478.6100 1.9107 -6.6984 3 436.2125399 89502 303662047 661848 a-Alanine, conf. I
119491.3080 0.0934 -5.8465 3 117.4825165 89502 3032726 1 2725 2 a-Alanine, conf. I
119491.3080 0.0934 -5.8465 3 117.4825165 89502 3032726 2 2725 3 a-Alanine, conf. I
119500.5893 1.1606 -6.0693 3 913.7650567 89502 303943560 943461 a-Alanine, conf. I
119507.0776 0.5493 -6.4943 3 266.2750321 89502 303531142 531143 a-Alanine, conf. I
119507.0777 0.5493 -5.2330 3 266.2750321 89502 303531142 531043 a-Alanine, conf. I
119507.0791 0.5493 -5.2330 3 266.2750321 89502 303531242 531143 a-Alanine, conf. I
119507.0792 0.5493 -6.4943 3 266.2750321 89502 303531242 531043 a-Alanine, conf. I
119573.0765 5.3959 -5.9967 3 870.6202555 89502 303923360 923261 a-Alanine, conf. I
119575.7058 0.1006 -6.1303 3 112.5817159 89502 3032626 0 2625 1 a-Alanine, conf. I
119575.7058 0.1006 -6.1303 3 112.5817159 89502 3032626 1 2625 2 a-Alanine, conf. I
119579.4120 0.3706 -6.0580 3 205.5834255 89502 303422419 412516 a-Alanine, conf. I
119579.4122 0.3706 -6.0580 3 205.5834255 89502 303422418 412517 a-Alanine, conf. I
119581.1176 3.4830 -5.6165 3 641.4548471 89502 303783246 783147 a-Alanine, conf. I
119606.2359 4.9314 -5.7210 3 705.9165495 89502 303823349 823250 a-Alanine, conf. I
119607.9156 0.2864 -5.3287 3 187.3974279 89502 30346 640 46 541 a-Alanine, conf. I
119607.9156 0.2864 -6.5407 3 187.3974279 89502 30346 640 46 641 a-Alanine, conf. I
119607.9156 0.2864 -6.5407 3 187.3974279 89502 30346 740 46 541 a-Alanine, conf. I
119607.9156 0.2864 -5.3287 3 187.3974279 89502 30346 740 46 641 a-Alanine, conf. I
119670.9009 5.9341 -5.8692 3 794.7664531 89502 303883158 883059 a-Alanine, conf. I
119687.7649 0.0364 -6.4702 3 76.4187135 89502 3032221 1 2121 0 a-Alanine, conf. I
119687.7649 0.0364 -6.4702 3 76.4187135 89502 3032221 2 2121 1 a-Alanine, conf. I
119712.8254 3.3239 -5.7425 3 721.4551501 89502 303833351 833252 a-Alanine, conf. I
119713.1872 0.2855 -5.1756 3 258.4595285 89502 303472720 472621 a-Alanine, conf. I
119713.1872 0.2855 -6.5858 3 258.4595285 89502 303472721 472621 a-Alanine, conf. I
119713.1874 0.2855 -6.5858 3 258.4595285 89502 303472720 472622 a-Alanine, conf. I
119713.1874 0.2855 -5.1756 3 258.4595285 89502 303472721 472622 a-Alanine, conf. I
119742.3630 1.9294 -6.0371 3 896.0482561 89502 303933559 933460 a-Alanine, conf. I
119777.3990 0.0309 -6.1721 3 73.2126135 89502 3032220 2 2120 1 a-Alanine, conf. I
119777.3990 0.0309 -6.1721 3 73.2126135 89502 3032220 3 2120 2 a-Alanine, conf. I
119819.1535 0.0175 -5.4158 3 46.3320135 89502 30322 716 21 715 a-Alanine, conf. I
119823.1540 1.0395 -5.3131 3 430.5724381 89502 303632934 632835 a-Alanine, conf. I
119831.0754 1.0355 -5.3130 3 430.5721381 89502 303632935 632836 a-Alanine, conf. I
119868.7367 0.4494 -6.2679 3 108.3565195 89502 303321418 321121 a-Alanine, conf. I
119871.7700 0.5159 -6.4815 3 342.1185315 89502 303523517 513616 a-Alanine, conf. I
119871.7700 0.5159 -6.4815 3 342.1185315 89502 303523518 513615 a-Alanine, conf. I
119882.3073 0.0263 -5.9993 3 70.1659135 89502 3032219 3 2119 2 a-Alanine, conf. I
119882.3073 0.0263 -5.9993 3 70.1659135 89502 3032219 4 2119 3 a-Alanine, conf. I
119918.8859 0.4930 -6.1058 3 127.7031213 89502 303351421 351124 a-Alanine, conf. I
119947.0897 0.0120 -6.5604 3 20.3431 99 89502 30316 214 15 114 a-Alanine, conf. I
119950.6333 0.0120 -6.5604 3 20.3431 99 89502 30316 314 15 214 a-Alanine, conf. I
119952.8094 0.6080 -6.6821 3 348.7188339 89502 303562829 562729 a-Alanine, conf. I
119952.8248 0.6080 -5.2251 3 348.7188339 89502 303562828 562729 a-Alanine, conf. I
119953.0006 0.6079 -5.2251 3 348.7188339 89502 303562829 562730 a-Alanine, conf. I
119953.0160 0.6079 -6.6821 3 348.7188339 89502 303562828 562730 a-Alanine, conf. I
119959.3860 1.9030 -6.0983 3 931.6539573 89502 303953561 953462 a-Alanine, conf. I
119966.7824 0.0031 -5.0052 3 21.9881 81 89502 3031311 3 1210 2 a-Alanine, conf. I
119966.7827 0.0031 -6.1330 3 21.9881 81 89502 3031311 2 1210 2 a-Alanine, conf. I
119966.7845 0.0031 -6.1330 3 21.9881 81 89502 3031311 3 1210 3 a-Alanine, conf. I
119966.7848 0.0031 -5.0052 3 21.9881 81 89502 3031311 2 1210 3 a-Alanine, conf. I
120006.1221 0.0226 -5.8782 3 67.2794135 89502 3032218 4 2118 3 a-Alanine, conf. I
120006.1221 0.0226 -5.8782 3 67.2794135 89502 3032218 5 2118 4 a-Alanine, conf. I
120034.7106 5.7978 -5.8069 3 758.0539519 89502 303863057 862958 a-Alanine, conf. I
120041.3756 5.4563 -5.6418 3 652.7994483 89502 303802654 802555 a-Alanine, conf. I
120051.7147 1.2494 -6.5899 3 366.8302369 89502 303611645 611646 a-Alanine, conf. I
120051.7795 1.2494 -5.2732 3 366.8302369 89502 303611645 611546 a-Alanine, conf. I
120052.4765 1.2491 -5.2732 3 366.8302369 89502 303611745 611646 a-Alanine, conf. I
120052.5413 1.2491 -6.5899 3 366.8302369 89502 303611745 611546 a-Alanine, conf. I
120061.5373 0.3848 -6.0884 3 217.1691261 89502 303432518 422617 a-Alanine, conf. I
120061.5373 0.3848 -6.0884 3 217.1691261 89502 303432519 422616 a-Alanine, conf. I
120093.8180 4.6118 -6.0607 3 909.7591567 89502 303943461 943362 a-Alanine, conf. I
120122.8338 2.2140 -6.7410 3 464.6394411 89502 303682048 682049 a-Alanine, conf. I
120126.3886 2.2120 -5.3744 3 464.6392411 89502 303682048 681949 a-Alanine, conf. I
120142.0201 0.3971 -5.6887 3 136.1532249 89502 30341 239 41 140 a-Alanine, conf. I
120142.0201 0.3971 -5.6887 3 136.1532249 89502 30341 339 41 240 a-Alanine, conf. I
120153.3009 0.2585 -5.1745 3 249.8202279 89502 303462719 462620 a-Alanine, conf. I
120153.3009 0.2585 -6.5789 3 249.8202279 89502 303462720 462620 a-Alanine, conf. I
120153.3010 0.2585 -6.5789 3 249.8202279 89502 303462719 462621 a-Alanine, conf. I
120153.3010 0.2585 -5.1745 3 249.8202279 89502 303462720 462621 a-Alanine, conf. I
120153.3913 0.3853 -5.6900 3 80.6764171 89502 303281117 271216 a-Alanine, conf. I
120153.6866 0.0204 -5.7856 3 64.5538135 89502 3032217 5 2117 4 a-Alanine, conf. I
120153.6866 0.0204 -5.7856 3 64.5538135 89502 3032217 6 2117 5 a-Alanine, conf. I
120154.3274 2.1973 -5.3742 3 464.6394411 89502 303682148 682049 a-Alanine, conf. I
120157.8821 2.1953 -6.7407 3 464.6392411 89502 303682148 681949 a-Alanine, conf. I
120275.5534 0.0080 -5.2439 3 25.8857 99 89502 30316 8 9 15 7 8 a-Alanine, conf. I
120331.6101 0.0199 -5.7111 3 61.9902135 89502 3032216 7 2116 6 a-Alanine, conf. I
120331.6102 0.0199 -5.7111 3 61.9902135 89502 3032216 6 2116 5 a-Alanine, conf. I
120456.6905 0.3351 -5.2657 3 219.2667297 89502 30349 841 49 742 a-Alanine, conf. I
120456.6905 0.3351 -6.4960 3 219.2667297 89502 30349 841 49 842 a-Alanine, conf. I
120456.6905 0.3351 -6.4960 3 219.2667297 89502 30349 941 49 742 a-Alanine, conf. I
120456.6905 0.3351 -5.2657 3 219.2667297 89502 30349 941 49 842 a-Alanine, conf. I
120459.8924 5.4889 -5.7466 3 722.1542507 89502 303842956 842857 a-Alanine, conf. I
120493.5840 0.5390 -6.5167 3 357.2362321 89502 303533617 523716 a-Alanine, conf. I
120493.5840 0.5390 -6.5167 3 357.2362321 89502 303533618 523715 a-Alanine, conf. I
120549.1785 0.0212 -5.6491 3 59.5900135 89502 3032215 8 2115 7 a-Alanine, conf. I
120549.1792 0.0212 -5.6491 3 59.5900135 89502 3032215 7 2115 6 a-Alanine, conf. I
120561.6173 0.2333 -5.1750 3 241.3720273 89502 303452718 452619 a-Alanine, conf. I
120561.6173 0.2333 -6.5737 3 241.3720273 89502 303452718 452620 a-Alanine, conf. I
120561.6173 0.2333 -6.5737 3 241.3720273 89502 303452719 452619 a-Alanine, conf. I
120561.6173 0.2333 -5.1750 3 241.3720273 89502 303452719 452620 a-Alanine, conf. I
120565.8719 0.3996 -6.1192 3 229.0928267 89502 303442618 432717 a-Alanine, conf. I
120565.8719 0.3996 -6.1192 3 229.0928267 89502 303442619 432716 a-Alanine, conf. I
120585.4936 2.7375 -5.6094 3 641.4149471 89502 303783247 783148 a-Alanine, conf. I
120595.3223 2.8910 -6.0020 3 878.5123555 89502 303923558 923459 a-Alanine, conf. I
120622.8628 0.3043 -5.3753 3 175.8720273 89502 30345 540 45 441 a-Alanine, conf. I
120622.8628 0.3043 -6.5779 3 175.8720273 89502 30345 540 45 541 a-Alanine, conf. I
120622.8628 0.3043 -6.5779 3 175.8720273 89502 30345 640 45 441 a-Alanine, conf. I
120622.8628 0.3043 -5.3753 3 175.8720273 89502 30345 640 45 541 a-Alanine, conf. I
120628.9525 1.9322 -6.6707 3 270.8606315 89502 303521537 511834 a-Alanine, conf. I
120633.6856 2.5513 -6.7877 3 493.9099423 89502 303702149 702150 a-Alanine, conf. I
120641.0978 2.5469 -5.4090 3 493.9097423 89502 303702149 702050 a-Alanine, conf. I
120661.9561 0.0034 -5.0607 3 22.8893 87 89502 3031410 5 13 9 4 a-Alanine, conf. I
120662.0489 0.0034 -6.1439 3 22.8893 87 89502 3031410 4 13 9 4 a-Alanine, conf. I
120662.5702 0.0034 -6.1439 3 22.8893 87 89502 3031410 5 13 9 5 a-Alanine, conf. I
120662.6629 0.0034 -5.0607 3 22.8893 87 89502 3031410 4 13 9 5 a-Alanine, conf. I
120673.6114 17.3734 -6.1654 3 963.5226585 89502 303973364 973265 a-Alanine, conf. I
120681.1939 9.0435 -5.8364 3 774.1813525 89502 303872958 872859 a-Alanine, conf. I
120689.6298 0.5571 -6.6630 3 338.3576333 89502 303552828 552728 a-Alanine, conf. I
120689.6354 0.5571 -5.2135 3 338.3576333 89502 303552827 552728 a-Alanine, conf. I
120689.7032 0.5570 -5.2135 3 338.3576333 89502 303552828 552729 a-Alanine, conf. I
120689.7088 0.5570 -6.6630 3 338.3576333 89502 303552827 552729 a-Alanine, conf. I
120695.6654 2.5161 -5.4086 3 493.9099423 89502 303702249 702150 a-Alanine, conf. I
120703.0777 2.5117 -6.7872 3 493.9097423 89502 303702249 702050 a-Alanine, conf. I
120709.8973 1.4923 -5.3936 3 495.9780411 89502 303683038 682939 a-Alanine, conf. I
120714.7442 0.0055 -6.1511 3 25.8857 99 89502 30316 8 8 15 7 8 a-Alanine, conf. I
120734.0478 4.6014 -5.5864 3 619.3623471 89502 303782553 782454 a-Alanine, conf. I
120739.0582 3.6139 -5.8502 3 789.7600525 89502 303873454 873355 a-Alanine, conf. I
120745.8478 0.0170 -5.4078 3 46.2691135 89502 30322 616 21 615 a-Alanine, conf. I
120750.1787 20.4374 -6.4042 3 1098.6461621 89502 303A33964 A33865 a-Alanine, conf. I
120757.3004 1.4646 -5.3933 3 495.9762411 89502 303683039 682940 a-Alanine, conf. I
120765.2046 26.2576 -6.4622 3 1128.4426633 89502 303A53669 A53570 a-Alanine, conf. I
120772.4803 2.2005 -5.4940 3 566.2638441 89502 303733142 733043 a-Alanine, conf. I
120806.7745 0.3663 -5.7248 3 100.5578189 89502 303311318 301417 a-Alanine, conf. I
120819.9302 0.0239 -5.5964 3 57.3551135 89502 3032214 9 2114 8 a-Alanine, conf. I
120819.9481 0.0239 -5.5964 3 57.3551135 89502 3032214 8 2114 7 a-Alanine, conf. I
120823.4169 0.0171 -4.7544 3 51.1572153 89502 30325 223 24 322 a-Alanine, conf. I
120823.4173 0.0171 -5.3287 3 51.1572153 89502 30325 323 24 322 a-Alanine, conf. I
120823.4180 0.0171 -5.3287 3 51.1572153 89502 30325 223 24 222 a-Alanine, conf. I
120823.4183 0.0171 -4.7544 3 51.1572153 89502 30325 323 24 222 a-Alanine, conf. I
120834.3618 0.9236 -6.5367 3 326.9684351 89502 303581444 581445 a-Alanine, conf. I
120834.3663 0.9236 -5.2442 3 326.9684351 89502 303581444 581345 a-Alanine, conf. I
120834.4245 0.9236 -5.2442 3 326.9684351 89502 303581544 581445 a-Alanine, conf. I
120834.4290 0.9236 -6.5367 3 326.9684351 89502 303581544 581345 a-Alanine, conf. I
120862.4815 5.0762 -5.6888 3 687.0706495 89502 303822855 822756 a-Alanine, conf. I
120879.4376 0.9496 -6.7822 3 418.8554375 89502 303622934 622834 a-Alanine, conf. I
120879.8186 0.9494 -5.2944 3 418.8554375 89502 303622933 622834 a-Alanine, conf. I
120883.2898 0.9477 -5.2943 3 418.8553375 89502 303622934 622835 a-Alanine, conf. I
120883.6708 0.9475 -6.7821 3 418.8553375 89502 303622933 622835 a-Alanine, conf. I
120890.9305 0.4461 -5.9605 3 125.7845243 89502 30340 139 40 040 a-Alanine, conf. I
120890.9305 0.4461 -5.9605 3 125.7845243 89502 30340 239 40 140 a-Alanine, conf. I
120940.2290 0.2099 -5.1771 3 233.1145267 89502 303442717 442618 a-Alanine, conf. I
120940.2290 0.2099 -6.5704 3 233.1145267 89502 303442717 442619 a-Alanine, conf. I
120940.2290 0.2099 -6.5704 3 233.1145267 89502 303442718 442618 a-Alanine, conf. I
120940.2290 0.2099 -5.1771 3 233.1145267 89502 303442718 442619 a-Alanine, conf. I
120973.5843 0.4659 -5.2364 3 253.1648315 89502 303521042 52 943 a-Alanine, conf. I
120973.5843 0.4659 -6.4862 3 253.1648315 89502 303521042 521043 a-Alanine, conf. I
120973.5846 0.4659 -6.4862 3 253.1648315 89502 303521142 52 943 a-Alanine, conf. I
120973.5846 0.4659 -5.2364 3 253.1648315 89502 303521142 521043 a-Alanine, conf. I
120989.3351 2.9332 -5.4473 3 524.0206435 89502 303722250 722151 a-Alanine, conf. I
121010.0015 2.0421 -5.4923 3 566.2546441 89502 303733143 733044 a-Alanine, conf. I
121078.2357 3.9302 -5.5358 3 586.7507459 89502 303762452 762353 a-Alanine, conf. I
121088.9329 0.4149 -6.1504 3 241.3544273 89502 303452718 442817 a-Alanine, conf. I
121088.9329 0.4149 -6.1504 3 241.3544273 89502 303452719 442816 a-Alanine, conf. I
121093.7332 2.8705 -5.4466 3 524.0211435 89502 303722350 722251 a-Alanine, conf. I
121117.3618 0.6642 -6.5013 3 289.0723333 89502 303551243 551244 a-Alanine, conf. I
121117.3621 0.6642 -5.2310 3 289.0723333 89502 303551243 551144 a-Alanine, conf. I
121117.3660 0.6642 -5.2310 3 289.0723333 89502 303551343 551244 a-Alanine, conf. I
121117.3662 0.6642 -6.5013 3 289.0723333 89502 303551343 551144 a-Alanine, conf. I
121118.8660 0.5634 -6.5525 3 372.6906327 89502 303543717 533816 a-Alanine, conf. I
121118.8660 0.5634 -6.5525 3 372.6906327 89502 303543718 533815 a-Alanine, conf. I
121136.5713 1.4552 -6.6199 3 393.1163381 89502 303631746 631747 a-Alanine, conf. I
121136.7231 1.4552 -5.2929 3 393.1163381 89502 303631746 631647 a-Alanine, conf. I
121138.2450 1.4545 -5.2929 3 393.1163381 89502 303631846 631747 a-Alanine, conf. I
121138.3968 1.4544 -6.6199 3 393.1163381 89502 303631846 631647 a-Alanine, conf. I
121146.6216 3.3864 -5.4896 3 554.9688447 89502 303742351 742252 a-Alanine, conf. I
121158.7042 3.4827 -6.1238 3 949.7066579 89502 303963562 963463 a-Alanine, conf. I
121164.4987 0.0277 -5.5508 3 55.2886135 89502 303221310 2113 9 a-Alanine, conf. I
121164.8799 0.0277 -5.5508 3 55.2886135 89502 3032213 9 2113 8 a-Alanine, conf. I
121176.6864 0.0173 -4.9627 3 48.8649141 89502 30323 518 22 617 a-Alanine, conf. I
121182.5376 4.6149 -5.6338 3 652.8067483 89502 303802754 802655 a-Alanine, conf. I
121187.2868 0.0044 -5.1308 3 24.1670 93 89502 30315 9 7 14 8 6 a-Alanine, conf. I
121197.6302 0.0044 -6.1491 3 24.1670 93 89502 30315 9 6 14 8 6 a-Alanine, conf. I
121217.7741 0.0173 -5.3836 3 48.8649141 89502 30323 618 22 617 a-Alanine, conf. I
121240.2224 0.0045 -6.1489 3 24.1652 93 89502 30315 9 7 14 8 7 a-Alanine, conf. I
121249.0991 0.2693 -5.5458 3 63.0346153 89502 30325 916 241015 a-Alanine, conf. I
121250.5657 0.0045 -5.1304 3 24.1652 93 89502 30315 9 6 14 8 7 a-Alanine, conf. I
121261.9924 0.0254 -5.4121 3 43.2160129 89502 30321 714 20 713 a-Alanine, conf. I
121271.4180 0.0174 -5.3832 3 48.8617141 89502 30323 518 22 517 a-Alanine, conf. I
121291.0573 0.1882 -5.1809 3 225.0470261 89502 303432716 432617 a-Alanine, conf. I
121291.0573 0.1882 -6.5691 3 225.0470261 89502 303432717 432617 a-Alanine, conf. I
121291.0574 0.1882 -6.5691 3 225.0470261 89502 303432716 432618 a-Alanine, conf. I
121291.0574 0.1882 -5.1809 3 225.0470261 89502 303432717 432618 a-Alanine, conf. I
121312.5057 0.0176 -4.9616 3 48.8617141 89502 30323 618 22 517 a-Alanine, conf. I
121324.6572 8.2189 -5.9165 3 827.2395537 89502 303893554 893455 a-Alanine, conf. I
121342.3524 3.2617 -5.4882 3 554.9698447 89502 303742451 742352 a-Alanine, conf. I
121374.6782 0.5104 -6.6456 3 328.1921327 89502 303542827 542727 a-Alanine, conf. I
121374.6802 0.5104 -5.2030 3 328.1921327 89502 303542826 542727 a-Alanine, conf. I
121374.7056 0.5104 -5.2030 3 328.1921327 89502 303542827 542728 a-Alanine, conf. I
121374.7075 0.5104 -6.6456 3 328.1921327 89502 303542826 542728 a-Alanine, conf. I
121376.4509 12.5335 -5.9902 3 866.3483555 89502 303923161 923062 a-Alanine, conf. I
121381.5190 4.1439 -5.5819 3 619.3661471 89502 303782653 782554 a-Alanine, conf. I
121391.7121 0.9768 -6.1983 3 130.3999219 89502 303361225 351322 a-Alanine, conf. I
121437.8832 3.6882 -5.5333 3 586.7526459 89502 303762552 762453 a-Alanine, conf. I
121563.6789 0.3381 -5.4404 3 164.5691267 89502 30344 440 44 341 a-Alanine, conf. I
121563.6789 0.3381 -6.6341 3 164.5691267 89502 30344 440 44 441 a-Alanine, conf. I
121563.6789 0.3381 -6.6341 3 164.5691267 89502 30344 540 44 341 a-Alanine, conf. I
121563.6789 0.3381 -5.4404 3 164.5691267 89502 30344 540 44 441 a-Alanine, conf. I
121593.7544 2.7967 -6.7037 3 280.4581321 89502 303531638 521735 a-Alanine, conf. I
121601.2913 0.0400 -6.2025 3 26.7519105 89502 30317 512 16 412 a-Alanine, conf. I
121614.7569 0.0325 -5.5104 3 53.3948135 89502 303221211 211210 a-Alanine, conf. I
121615.4338 0.0364 -5.4417 3 24.8605 99 89502 30316 7 9 15 610 a-Alanine, conf. I
121615.8740 0.1682 -5.1867 3 217.1691255 89502 303422715 422616 a-Alanine, conf. I
121615.8740 0.1682 -6.5698 3 217.1691255 89502 303422715 422617 a-Alanine, conf. I
121615.8740 0.1682 -6.5698 3 217.1691255 89502 303422716 422616 a-Alanine, conf. I
121615.8740 0.1682 -5.1867 3 217.1691255 89502 303422716 422617 a-Alanine, conf. I
121620.9329 0.0327 -5.5104 3 53.3949135 89502 303221210 2112 9 a-Alanine, conf. I
121627.8894 0.4309 -6.1821 3 253.9538279 89502 303462818 452917 a-Alanine, conf. I
121627.8894 0.4309 -6.1821 3 253.9538279 89502 303462819 452916 a-Alanine, conf. I
121630.9652 0.3101 -5.2890 3 207.0492291 89502 30348 741 48 642 a-Alanine, conf. I
121630.9652 0.3101 -6.5093 3 207.0492291 89502 30348 741 48 742 a-Alanine, conf. I
121630.9652 0.3101 -6.5093 3 207.0492291 89502 30348 841 48 642 a-Alanine, conf. I
121630.9652 0.3101 -5.2890 3 207.0492291 89502 30348 841 48 742 a-Alanine, conf. I
121648.0604 3.2757 -5.7066 3 705.8341495 89502 303823350 823251 a-Alanine, conf. I
121686.7406 13.3566 -6.1448 3 958.1661579 89502 303963759 963660 a-Alanine, conf. I
121704.6627 0.0267 -5.0964 3 46.2691135 89502 30322 716 21 615 a-Alanine, conf. I
121747.1329 0.5894 -6.5889 3 388.4816333 89502 303553817 543916 a-Alanine, conf. I
121747.1329 0.5894 -6.5889 3 388.4816333 89502 303553818 543915 a-Alanine, conf. I
121857.3258 0.0074 -6.1463 3 25.8329 99 89502 30316 8 9 15 7 9 a-Alanine, conf. I
121857.5308 0.8694 -6.7562 3 407.3385369 89502 303612933 612833 a-Alanine, conf. I
121857.6841 0.8693 -5.2769 3 407.3385369 89502 303612932 612833 a-Alanine, conf. I
121859.1671 0.8686 -5.2769 3 407.3385369 89502 303612933 612834 a-Alanine, conf. I
121859.3204 0.8685 -6.7562 3 407.3385369 89502 303612932 612834 a-Alanine, conf. I
121869.2602 2.9577 -5.5808 3 626.7958465 89502 303773245 773146 a-Alanine, conf. I
121916.3186 0.1497 -5.1946 3 209.4803249 89502 303412714 412615 a-Alanine, conf. I
121916.3186 0.1497 -6.5727 3 209.4803249 89502 303412714 412616 a-Alanine, conf. I
121916.3186 0.1497 -6.5727 3 209.4803249 89502 303412715 412615 a-Alanine, conf. I
121916.3186 0.1497 -5.1946 3 209.4803249 89502 303412715 412616 a-Alanine, conf. I
121935.7696 3.6084 -5.9649 3 861.1655549 89502 303913557 913458 a-Alanine, conf. I
121960.1608 0.0611 -5.4168 3 43.9472129 89502 30321 813 20 812 a-Alanine, conf. I
122012.0119 0.4675 -6.6296 3 318.2215321 89502 303532826 532726 a-Alanine, conf. I
122012.0125 0.4675 -5.1938 3 318.2215321 89502 303532825 532726 a-Alanine, conf. I
122012.0218 0.4675 -5.1938 3 318.2215321 89502 303532826 532727 a-Alanine, conf. I
122012.0224 0.4675 -6.6296 3 318.2215321 89502 303532825 532727 a-Alanine, conf. I
122023.5827 1.3518 -5.3702 3 483.2920405 89502 303673037 672938 a-Alanine, conf. I
122045.7927 1.3391 -5.3700 3 483.2912405 89502 303673038 672939 a-Alanine, conf. I
122089.7943 0.1117 -5.7294 3 98.7267189 89502 303311220 301317 a-Alanine, conf. I
122110.2593 1.6859 -6.6542 3 420.2551393 89502 303651847 651848 a-Alanine, conf. I
122110.6050 1.6858 -5.3166 3 420.2550393 89502 303651847 651748 a-Alanine, conf. I
122113.8454 1.6842 -5.3166 3 420.2551393 89502 303651947 651848 a-Alanine, conf. I
122114.1911 1.6840 -6.6542 3 420.2550393 89502 303651947 651748 a-Alanine, conf. I
122156.0388 1.0891 -6.5583 3 351.9482363 89502 303601545 601546 a-Alanine, conf. I
122156.0502 1.0891 -5.2562 3 351.9482363 89502 303601545 601446 a-Alanine, conf. I
122156.1874 1.0891 -5.2562 3 351.9482363 89502 303601645 601546 a-Alanine, conf. I
122156.1988 1.0891 -6.5583 3 351.9482363 89502 303601645 601446 a-Alanine, conf. I
122180.4154 0.4475 -6.2143 3 266.8906285 89502 303472918 463017 a-Alanine, conf. I
122180.4154 0.4475 -6.2143 3 266.8906285 89502 303472919 463016 a-Alanine, conf. I
122193.9142 0.1330 -5.2047 3 201.9801243 89502 303402713 402614 a-Alanine, conf. I
122193.9142 0.1330 -6.5782 3 201.9801243 89502 303402713 402615 a-Alanine, conf. I
122193.9142 0.1330 -6.5782 3 201.9801243 89502 303402714 402614 a-Alanine, conf. I
122193.9142 0.1330 -5.2047 3 201.9801243 89502 303402714 402615 a-Alanine, conf. I
122206.7600 0.0380 -5.4743 3 51.6803135 89502 303221112 211111 a-Alanine, conf. I
122208.4621 0.0258 -5.4089 3 47.5731135 89502 30322 815 21 814 a-Alanine, conf. I
122260.0346 0.0232 -5.2956 3 52.8296159 89502 30326 125 25 124 a-Alanine, conf. I
122260.0346 0.0232 -4.6906 3 52.8296159 89502 30326 125 25 224 a-Alanine, conf. I
122260.0346 0.0232 -4.6906 3 52.8296159 89502 30326 225 25 124 a-Alanine, conf. I
122260.0346 0.0232 -5.2956 3 52.8296159 89502 30326 225 25 224 a-Alanine, conf. I
122280.9545 0.0399 -5.4737 3 51.6817135 89502 303221111 211110 a-Alanine, conf. I
122296.5167 0.0112 -5.2367 3 25.8329 99 89502 30316 8 8 15 7 9 a-Alanine, conf. I
122328.9966 0.3992 -5.2453 3 240.2646309 89502 30351 942 51 843 a-Alanine, conf. I
122328.9966 0.3992 -6.4842 3 240.2646309 89502 30351 942 51 943 a-Alanine, conf. I
122328.9966 0.3992 -6.4842 3 240.2646309 89502 303511042 51 843 a-Alanine, conf. I
122328.9966 0.3992 -5.2453 3 240.2646309 89502 303511042 51 943 a-Alanine, conf. I
122339.9730 5.7255 -5.7909 3 757.2795513 89502 303853451 853352 a-Alanine, conf. I
122377.9581 0.6169 -6.6259 3 404.6091339 89502 303563917 554016 a-Alanine, conf. I
122377.9581 0.6169 -6.6259 3 404.6091339 89502 303563918 554015 a-Alanine, conf. I
122389.2317 1.2683 -6.1555 3 972.0209585 89502 303973662 973563 a-Alanine, conf. I
122392.2724 0.0139 -6.3234 3 14.5528 81 89502 30313 5 9 12 210 a-Alanine, conf. I
122404.4985 2.5591 -5.5770 3 626.7748465 89502 303773246 773147 a-Alanine, conf. I
122436.3413 0.3816 -5.5344 3 153.4910261 89502 30343 340 43 241 a-Alanine, conf. I
122436.3413 0.3816 -6.7194 3 153.4910261 89502 30343 340 43 341 a-Alanine, conf. I
122436.3413 0.3816 -6.7194 3 153.4910261 89502 30343 440 43 241 a-Alanine, conf. I
122436.3413 0.3816 -5.5344 3 153.4910261 89502 30343 440 43 341 a-Alanine, conf. I
122447.2867 4.0636 -5.6794 3 690.4667489 89502 303813348 813249 a-Alanine, conf. I
122450.0802 0.1180 -5.2174 3 194.6682237 89502 303392712 392613 a-Alanine, conf. I
122450.0802 0.1180 -6.5863 3 194.6682237 89502 303392712 392614 a-Alanine, conf. I
122450.0802 0.1180 -6.5863 3 194.6682237 89502 303392713 392613 a-Alanine, conf. I
122450.0802 0.1180 -5.2174 3 194.6682237 89502 303392713 392614 a-Alanine, conf. I
122450.3353 1.9519 -5.4652 3 552.5993435 89502 303723141 723042 a-Alanine, conf. I
122513.4907 7.3954 -5.7657 3 737.8776513 89502 303852857 852758 a-Alanine, conf. I
122528.9647 0.0178 -4.8605 3 51.1772147 89502 30324 420 23 519 a-Alanine, conf. I
122529.9546 0.0178 -5.3519 3 51.1772147 89502 30324 520 23 519 a-Alanine, conf. I
122531.4891 0.0178 -5.3519 3 51.1772147 89502 30324 420 23 419 a-Alanine, conf. I
122532.4789 0.0178 -4.8605 3 51.1772147 89502 30324 520 23 419 a-Alanine, conf. I
122568.9709 1.8734 -5.4644 3 552.5948435 89502 303723142 723043 a-Alanine, conf. I
122605.2161 0.4279 -6.6151 3 308.4451315 89502 303522825 522725 a-Alanine, conf. I
122605.2163 0.4279 -5.1859 3 308.4451315 89502 303522824 522725 a-Alanine, conf. I
122605.2195 0.4279 -5.1859 3 308.4451315 89502 303522825 522726 a-Alanine, conf. I
122605.2198 0.4279 -6.6151 3 308.4451315 89502 303522824 522726 a-Alanine, conf. I
122620.1293 3.7487 -5.8127 3 773.3711519 89502 303863453 863354 a-Alanine, conf. I
122620.3875 2.0975 -6.1220 3 953.7480579 89502 303963661 963562 a-Alanine, conf. I
122643.6968 0.7959 -6.5138 3 312.7348345 89502 303571344 571345 a-Alanine, conf. I
122643.6975 0.7959 -5.2344 3 312.7348345 89502 303571344 571245 a-Alanine, conf. I
122643.7076 0.7959 -5.2344 3 312.7348345 89502 303571444 571345 a-Alanine, conf. I
122643.7083 0.7959 -6.5138 3 312.7348345 89502 303571444 571245 a-Alanine, conf. I
122650.2167 6.0747 -6.0786 3 927.5628573 89502 303953462 953363 a-Alanine, conf. I
122652.3627 6.5619 -6.0110 3 888.0143561 89502 303933361 933262 a-Alanine, conf. I
122681.5766 0.5656 -6.4879 3 275.4997327 89502 303541143 541144 a-Alanine, conf. I
122681.5767 0.5656 -5.2295 3 275.4997327 89502 303541143 541044 a-Alanine, conf. I
122681.5772 0.5656 -5.2295 3 275.4997327 89502 303541243 541144 a-Alanine, conf. I
122681.5773 0.5656 -6.4879 3 275.4997327 89502 303541243 541044 a-Alanine, conf. I
122686.1436 0.1049 -5.2330 3 187.5441231 89502 303382711 382612 a-Alanine, conf. I
122686.1436 0.1049 -6.5974 3 187.5441231 89502 303382711 382613 a-Alanine, conf. I
122686.1436 0.1049 -6.5974 3 187.5441231 89502 303382712 382612 a-Alanine, conf. I
122686.1436 0.1049 -5.2330 3 187.5441231 89502 303382712 382613 a-Alanine, conf. I
122719.6110 0.3099 -5.3223 3 195.0495285 89502 30347 641 47 542 a-Alanine, conf. I
122719.6110 0.3099 -6.5329 3 195.0495285 89502 30347 641 47 642 a-Alanine, conf. I
122719.6110 0.3099 -6.5329 3 195.0495285 89502 30347 741 47 542 a-Alanine, conf. I
122719.6110 0.3099 -5.3223 3 195.0495285 89502 30347 741 47 642 a-Alanine, conf. I
122744.5800 0.4648 -6.2469 3 280.1649291 89502 303483018 473117 a-Alanine, conf. I
122744.5800 0.4648 -6.2469 3 280.1649291 89502 303483019 473116 a-Alanine, conf. I
122764.7888 0.7974 -6.7319 3 396.0207363 89502 303602932 602832 a-Alanine, conf. I
122764.8489 0.7973 -5.2607 3 396.0207363 89502 303602931 602832 a-Alanine, conf. I
122765.4665 0.7970 -5.2607 3 396.0206363 89502 303602932 602833 a-Alanine, conf. I
122765.5266 0.7970 -6.7319 3 396.0206363 89502 303602931 602833 a-Alanine, conf. I
122862.3264 2.1467 -6.1858 3 990.4653591 89502 303983663 983564 a-Alanine, conf. I
122879.5355 0.0417 -5.4421 3 50.1528135 89502 303221013 211012 a-Alanine, conf. I
122903.3483 0.0941 -5.2519 3 180.6073225 89502 303372710 372611 a-Alanine, conf. I
122903.3483 0.0941 -6.6121 3 180.6073225 89502 303372710 372612 a-Alanine, conf. I
122903.3483 0.0941 -6.6121 3 180.6073225 89502 303372711 372611 a-Alanine, conf. I
122903.3483 0.0941 -5.2519 3 180.6073225 89502 303372711 372612 a-Alanine, conf. I
122952.8442 6.6933 -5.9438 3 849.2706549 89502 303913260 913161 a-Alanine, conf. I
122962.9247 1.7138 -6.6125 3 261.2990309 89502 303511536 501833 a-Alanine, conf. I
122965.7752 1.9448 -6.6927 3 448.2437405 89502 303671948 671949 a-Alanine, conf. I
122966.5431 1.9443 -5.3442 3 448.2437405 89502 303671948 671849 a-Alanine, conf. I
122973.2813 1.9408 -5.3441 3 448.2437405 89502 303672048 671949 a-Alanine, conf. I
122974.0491 1.9404 -6.6926 3 448.2437405 89502 303672048 671849 a-Alanine, conf. I
123010.9636 0.6461 -6.6634 3 421.0731345 89502 303574017 564116 a-Alanine, conf. I
123010.9636 0.6461 -6.6634 3 421.0731345 89502 303574018 564115 a-Alanine, conf. I
123072.8465 29.1862 -6.5668 3 1192.9744651 89502 303A83771 A83672 a-Alanine, conf. I
123082.7440 5.1842 -6.1461 3 967.9153585 89502 303973563 973464 a-Alanine, conf. I
123102.8639 0.0858 -5.2747 3 173.8576219 89502 3033627 9 362610 a-Alanine, conf. I
123102.8639 0.0858 -6.6307 3 173.8576219 89502 3033627 9 362611 a-Alanine, conf. I
123102.8639 0.0858 -6.6307 3 173.8576219 89502 303362710 362610 a-Alanine, conf. I
123102.8639 0.0858 -5.2747 3 173.8576219 89502 303362710 362611 a-Alanine, conf. I
123157.4863 0.3912 -6.6022 3 298.8621309 89502 303512824 512724 a-Alanine, conf. I
123157.4864 0.3912 -5.1792 3 298.8621309 89502 303512823 512724 a-Alanine, conf. I
123157.4875 0.3912 -5.1792 3 298.8621309 89502 303512824 512725 a-Alanine, conf. I
123157.4876 0.3912 -6.6022 3 298.8621309 89502 303512823 512725 a-Alanine, conf. I
123161.4271 0.0376 -5.4177 3 48.8048135 89502 30322 914 21 913 a-Alanine, conf. I
123179.0353 0.0073 -6.3101 3 15.3866 81 89502 30313 6 8 12 3 9 a-Alanine, conf. I
123230.0458 1.2315 -5.3482 3 470.8096399 89502 303663036 662937 a-Alanine, conf. I
123240.1999 1.2258 -5.3481 3 470.8093399 89502 303663037 662938 a-Alanine, conf. I
123246.1105 0.4306 -5.6801 3 142.6397255 89502 30342 240 42 141 a-Alanine, conf. I
123246.1105 0.4306 -5.6801 3 142.6397255 89502 30342 340 42 241 a-Alanine, conf. I
123285.7921 0.0802 -5.3021 3 167.2945213 89502 3033527 8 3526 9 a-Alanine, conf. I
123285.7921 0.0802 -6.6541 3 167.2945213 89502 3033527 8 352610 a-Alanine, conf. I
123285.7921 0.0802 -6.6541 3 167.2945213 89502 3033527 9 3526 9 a-Alanine, conf. I
123285.7921 0.0802 -5.3021 3 167.2945213 89502 3033527 9 352610 a-Alanine, conf. I
123318.7663 0.4829 -6.2800 3 293.7766297 89502 303493118 483217 a-Alanine, conf. I
123318.7663 0.4829 -6.2800 3 293.7766297 89502 303493119 483216 a-Alanine, conf. I
123367.6958 0.4335 -6.5178 3 224.7524285 89502 303471532 461829 a-Alanine, conf. I
123381.1143 1.2747 -6.5846 3 377.7860375 89502 303621646 621647 a-Alanine, conf. I
123381.1424 1.2747 -5.2726 3 377.7860375 89502 303621646 621547 a-Alanine, conf. I
123381.4559 1.2746 -5.2726 3 377.7860375 89502 303621746 621647 a-Alanine, conf. I
123381.4840 1.2746 -6.5846 3 377.7860375 89502 303621746 621547 a-Alanine, conf. I
123422.4704 6.5460 -5.8779 3 811.3335537 89502 303893159 893060 a-Alanine, conf. I
123438.0509 22.6722 -6.5045 3 1162.2795639 89502 303A64066 A63967 a-Alanine, conf. I
123453.1734 0.0776 -5.3351 3 160.9177207 89502 3033427 7 3426 8 a-Alanine, conf. I
123453.1734 0.0776 -6.6832 3 160.9177207 89502 3033427 7 3426 9 a-Alanine, conf. I
123453.1734 0.0776 -6.6832 3 160.9177207 89502 3033427 8 3426 8 a-Alanine, conf. I
123453.1734 0.0776 -5.3351 3 160.9177207 89502 3033427 8 3426 9 a-Alanine, conf. I
123469.1621 3.1794 -6.0857 3 935.6553573 89502 303953660 953561 a-Alanine, conf. I
123499.0297 0.0547 -5.4376 3 50.1683135 89502 303221012 211011 a-Alanine, conf. I
123549.6176 1.1639 -6.6060 3 235.9817291 89502 303481632 471929 a-Alanine, conf. I
123569.8783 19.3529 -6.2553 3 1023.3392603 89502 303A03466 A03367 a-Alanine, conf. I
123579.7033 3.1333 -5.6716 3 690.4216489 89502 303813349 813250 a-Alanine, conf. I
123584.4327 0.3532 -5.2607 3 227.5773303 89502 30350 842 50 743 a-Alanine, conf. I
123584.4327 0.3532 -6.4891 3 227.5773303 89502 30350 842 50 843 a-Alanine, conf. I
123584.4327 0.3532 -6.4891 3 227.5773303 89502 30350 942 50 743 a-Alanine, conf. I
123584.4327 0.3532 -5.2607 3 227.5773303 89502 30350 942 50 843 a-Alanine, conf. I
123605.9925 0.0778 -5.3752 3 154.7268201 89502 3033327 6 3326 7 a-Alanine, conf. I
123605.9925 0.0778 -6.7195 3 154.7268201 89502 3033327 6 3326 8 a-Alanine, conf. I
123605.9925 0.0778 -6.7195 3 154.7268201 89502 3033327 7 3326 7 a-Alanine, conf. I
123605.9925 0.0778 -5.3752 3 154.7268201 89502 3033327 7 3326 8 a-Alanine, conf. I
123607.9367 0.7322 -6.7091 3 384.9008357 89502 303592931 592831 a-Alanine, conf. I
123607.9597 0.7322 -5.2456 3 384.9008357 89502 303592930 592831 a-Alanine, conf. I
123608.2103 0.7321 -5.2456 3 384.9008357 89502 303592931 592832 a-Alanine, conf. I
123608.2333 0.7321 -6.7091 3 384.9008357 89502 303592930 592832 a-Alanine, conf. I
123625.4772 4.0373 -5.9266 3 844.0148543 89502 303903556 903457 a-Alanine, conf. I
123645.8127 0.6771 -6.7015 3 437.8734351 89502 303584117 574216 a-Alanine, conf. I
123645.8127 0.6771 -6.7015 3 437.8734351 89502 303584118 574215 a-Alanine, conf. I
123671.6910 0.3571 -5.1737 3 289.4720303 89502 303502822 502723 a-Alanine, conf. I
123671.6910 0.3571 -6.5907 3 289.4720303 89502 303502823 502723 a-Alanine, conf. I
123671.6914 0.3571 -6.5907 3 289.4720303 89502 303502822 502724 a-Alanine, conf. I
123671.6914 0.3571 -5.1737 3 289.4720303 89502 303502823 502724 a-Alanine, conf. I
123694.5066 2.2360 -6.7353 3 477.0795417 89502 303692049 692050 a-Alanine, conf. I
123696.1724 2.2350 -5.3755 3 477.0794417 89502 303692049 691950 a-Alanine, conf. I
123696.9539 0.0364 -5.2631 3 54.3194165 89502 30327 027 26 026 a-Alanine, conf. I
123696.9539 0.0364 -4.6336 3 54.3194165 89502 30327 027 26 126 a-Alanine, conf. I
123696.9539 0.0364 -4.6336 3 54.3194165 89502 30327 127 26 026 a-Alanine, conf. I
123696.9539 0.0364 -5.2631 3 54.3194165 89502 30327 127 26 126 a-Alanine, conf. I
123709.8765 2.2274 -5.3754 3 477.0795417 89502 303692149 692050 a-Alanine, conf. I
123711.5422 2.2264 -6.7351 3 477.0794417 89502 303692149 691950 a-Alanine, conf. I
123730.0252 0.3312 -5.3686 3 183.2702279 89502 30346 541 46 442 a-Alanine, conf. I
123730.0252 0.3312 -6.5700 3 183.2702279 89502 30346 541 46 542 a-Alanine, conf. I
123730.0252 0.3312 -6.5700 3 183.2702279 89502 30346 641 46 442 a-Alanine, conf. I
123730.0252 0.3312 -5.3686 3 183.2702279 89502 30346 641 46 542 a-Alanine, conf. I
123744.4610 6.1585 -5.7013 3 702.3854501 89502 303832756 832657 a-Alanine, conf. I
123745.1826 0.0804 -5.4244 3 148.7215195 89502 3033227 5 3226 6 a-Alanine, conf. I
123745.1826 0.0804 -6.7650 3 148.7215195 89502 3033227 5 3226 7 a-Alanine, conf. I
123745.1826 0.0804 -6.7650 3 148.7215195 89502 3033227 6 3226 6 a-Alanine, conf. I
123745.1826 0.0804 -5.4244 3 148.7215195 89502 3033227 6 3226 7 a-Alanine, conf. I
123755.0858 0.0784 -5.1972 3 51.6495141 89502 30323 716 22 815 a-Alanine, conf. I
123771.9523 0.0296 -6.0647 3 31.5227111 89502 30318 711 17 611 a-Alanine, conf. I
123852.3780 2.5729 -5.5479 3 612.3541459 89502 303763244 763145 a-Alanine, conf. I
123855.0355 0.1119 -6.6890 3 67.9848159 89502 30326 917 251015 a-Alanine, conf. I
123869.1090 1.5859 -6.3358 3 160.7897243 89502 303401328 391425 a-Alanine, conf. I
123871.6298 0.0850 -5.4859 3 142.9015189 89502 3033127 4 3126 5 a-Alanine, conf. I
123871.6298 0.0850 -5.4859 3 142.9015189 89502 3033127 5 3126 6 a-Alanine, conf. I
123900.7128 0.2670 -6.0921 3 136.1164219 89502 303361521 361224 a-Alanine, conf. I
123901.6091 0.5018 -6.3136 3 307.7254303 89502 303503218 493317 a-Alanine, conf. I
123901.6091 0.5018 -6.3136 3 307.7254303 89502 303503219 493316 a-Alanine, conf. I
123918.7679 0.0178 -4.7792 3 53.2800153 89502 30325 322 24 421 a-Alanine, conf. I
123918.7823 0.0178 -5.3196 3 53.2800153 89502 30325 422 24 421 a-Alanine, conf. I
123918.8074 0.0178 -5.3196 3 53.2800153 89502 30325 322 24 321 a-Alanine, conf. I
123918.8218 0.0178 -4.7792 3 53.2800153 89502 30325 422 24 321 a-Alanine, conf. I
123948.4693 9.4085 -5.9976 3 882.7213555 89502 303923656 923557 a-Alanine, conf. I
123950.8519 6.2049 -5.8140 3 774.2058525 89502 303873058 872959 a-Alanine, conf. I
123951.0232 0.0232 -5.0376 3 50.3287141 89502 30323 617 22 716 a-Alanine, conf. I
123962.4162 1.7534 -5.4383 3 539.1434429 89502 303713140 713041 a-Alanine, conf. I
123986.1766 0.0909 -5.5654 3 137.2665183 89502 3033027 3 3026 4 a-Alanine, conf. I
123986.1766 0.0909 -5.5654 3 137.2665183 89502 3033027 4 3026 5 a-Alanine, conf. I
123997.6541 0.4821 -5.9515 3 132.0171249 89502 30341 140 41 041 a-Alanine, conf. I
123997.6541 0.4821 -5.9515 3 132.0171249 89502 30341 240 41 141 a-Alanine, conf. I
124020.2221 1.7155 -5.4379 3 539.1412429 89502 303713141 713042 a-Alanine, conf. I
124039.8025 0.0162 -5.2481 3 28.9171105 89502 30317 810 16 7 9 a-Alanine, conf. I
124045.9127 0.3425 -5.8147 3 149.8246225 89502 303371820 361917 a-Alanine, conf. I
124056.0233 0.3437 -5.8146 3 149.8246225 89502 303371819 361918 a-Alanine, conf. I
124065.8737 0.3333 -5.7856 3 140.4397219 89502 303361720 351817 a-Alanine, conf. I
124077.0978 3.9038 -6.2128 3 1009.0728597 89502 303993664 993565 a-Alanine, conf. I
124083.3478 0.9451 -6.5314 3 337.2602357 89502 303591445 591446 a-Alanine, conf. I
124083.3497 0.9451 -5.2427 3 337.2602357 89502 303591445 591346 a-Alanine, conf. I
124083.3747 0.9451 -5.2427 3 337.2602357 89502 303591545 591446 a-Alanine, conf. I
124083.3765 0.9451 -6.5314 3 337.2602357 89502 303591545 591346 a-Alanine, conf. I
124089.6249 0.0978 -5.6729 3 131.8162177 89502 3032927 2 2926 3 a-Alanine, conf. I
124089.6249 0.0978 -5.6729 3 131.8162177 89502 3032927 3 2926 4 a-Alanine, conf. I
124108.5522 0.3377 -5.7853 3 140.4396219 89502 303361719 351818 a-Alanine, conf. I
124112.3482 10.1181 -5.9084 3 828.0159543 89502 303903060 902961 a-Alanine, conf. I
124127.3890 0.4820 -5.2328 3 262.1345321 89502 303531043 53 944 a-Alanine, conf. I
124127.3890 0.4820 -6.4800 3 262.1345321 89502 303531043 531044 a-Alanine, conf. I
124127.3891 0.4820 -6.4800 3 262.1345321 89502 303531143 53 944 a-Alanine, conf. I
124127.3891 0.4820 -5.2328 3 262.1345321 89502 303531143 531044 a-Alanine, conf. I
124130.0727 2.3665 -5.5460 3 612.3434459 89502 303763245 763146 a-Alanine, conf. I
124142.9996 0.3525 -5.8439 3 159.5511231 89502 303381920 372017 a-Alanine, conf. I
124145.2632 0.3528 -5.8439 3 159.5511231 89502 303381919 372018 a-Alanine, conf. I
124150.4008 0.0229 -6.1897 3 26.7831105 89502 30317 612 16 512 a-Alanine, conf. I
124150.4203 0.3254 -5.1696 3 280.2741297 89502 303492821 492722 a-Alanine, conf. I
124150.4203 0.3254 -6.5808 3 280.2741297 89502 303492822 492722 a-Alanine, conf. I
124150.4204 0.3254 -6.5808 3 280.2741297 89502 303492821 492723 a-Alanine, conf. I
124150.4204 0.3254 -5.1696 3 280.2741297 89502 303492822 492723 a-Alanine, conf. I
124182.7389 0.1053 -5.8316 3 126.5502171 89502 3032827 1 2826 2 a-Alanine, conf. I
124182.7389 0.1053 -5.8316 3 126.5502171 89502 3032827 2 2826 3 a-Alanine, conf. I
124219.1018 0.3235 -5.7569 3 131.3976213 89502 303351620 341717 a-Alanine, conf. I
124246.5908 0.2141 -5.6981 3 106.3544195 89502 303321320 311417 a-Alanine, conf. I
124266.2471 0.1132 -6.1153 3 121.4683165 89502 3032727 0 2726 1 a-Alanine, conf. I
124266.2471 0.1132 -6.1153 3 121.4683165 89502 3032727 1 2726 2 a-Alanine, conf. I
124280.1537 15.0413 -6.2361 3 1017.7399597 89502 303993861 993762 a-Alanine, conf. I
124282.2044 0.7100 -6.7402 3 455.0101357 89502 303594217 584316 a-Alanine, conf. I
124282.2044 0.7100 -6.7402 3 455.0101357 89502 303594218 584315 a-Alanine, conf. I
124289.0564 2.5633 -5.4106 3 506.7594429 89502 303712150 712051 a-Alanine, conf. I
124310.1363 0.6821 -6.4958 3 298.7023339 89502 303561244 561245 a-Alanine, conf. I
124310.1364 0.6821 -5.2285 3 298.7023339 89502 303561244 561145 a-Alanine, conf. I
124310.1380 0.6821 -5.2285 3 298.7023339 89502 303561344 561245 a-Alanine, conf. I
124310.1381 0.6821 -6.4958 3 298.7023339 89502 303561344 561145 a-Alanine, conf. I
124316.3446 2.5470 -5.4104 3 506.7595429 89502 303712250 712151 a-Alanine, conf. I
124333.9786 0.3636 -5.8733 3 169.6184237 89502 303392020 382117 a-Alanine, conf. I
124334.4606 0.3637 -5.8733 3 169.6184237 89502 303392019 382118 a-Alanine, conf. I
124343.7842 1.1264 -5.3274 3 458.5292393 89502 303653035 652936 a-Alanine, conf. I
124348.3149 1.1239 -5.3274 3 458.5291393 89502 303653036 652937 a-Alanine, conf. I
124387.8652 0.3384 -5.7556 3 131.3974213 89502 303351619 341718 a-Alanine, conf. I
124392.6113 0.6729 -6.6879 3 373.9779351 89502 303582930 582830 a-Alanine, conf. I
124392.6199 0.6729 -5.2317 3 373.9779351 89502 303582929 582830 a-Alanine, conf. I
124392.7189 0.6728 -5.2317 3 373.9779351 89502 303582930 582831 a-Alanine, conf. I
124392.7275 0.6728 -6.6879 3 373.9779351 89502 303582929 582831 a-Alanine, conf. I
124415.7474 0.0189 -5.3704 3 50.3287141 89502 30323 717 22 716 a-Alanine, conf. I
124452.2198 5.7475 -5.7524 3 737.8910513 89502 303852957 852858 a-Alanine, conf. I
124476.5634 0.3083 -5.7295 3 122.7000207 89502 303341520 331617 a-Alanine, conf. I
124491.9472 0.5216 -6.3478 3 322.0113309 89502 303513318 503417 a-Alanine, conf. I
124491.9472 0.5216 -6.3478 3 322.0113309 89502 303513319 503416 a-Alanine, conf. I
124505.1713 1.4824 -6.6151 3 404.4793387 89502 303641747 641748 a-Alanine, conf. I
124505.2381 1.4823 -5.2931 3 404.4793387 89502 303641747 641648 a-Alanine, conf. I
124505.9357 1.4820 -5.2931 3 404.4793387 89502 303641847 641748 a-Alanine, conf. I
124506.0025 1.4820 -6.6151 3 404.4793387 89502 303641847 641648 a-Alanine, conf. I
124519.1717 5.2144 -5.6423 3 667.7109489 89502 303812655 812556 a-Alanine, conf. I
124545.4347 0.2815 -6.0523 3 143.1275225 89502 303371522 371225 a-Alanine, conf. I
124559.5051 0.0189 -6.1374 3 27.8082105 89502 30317 711 16 611 a-Alanine, conf. I
124575.7807 13.9807 -6.0711 3 923.1822573 89502 303953263 953164 a-Alanine, conf. I
124591.9829 3.7141 -5.7754 3 757.1883513 89502 303853452 853353 a-Alanine, conf. I
124596.0264 0.2959 -5.1670 3 271.2678291 89502 303482820 482721 a-Alanine, conf. I
124596.0264 0.2959 -6.5725 3 271.2678291 89502 303482821 482721 a-Alanine, conf. I
124596.0265 0.2959 -6.5725 3 271.2678291 89502 303482820 482722 a-Alanine, conf. I
124596.0265 0.2959 -5.1670 3 271.2678291 89502 303482821 482722 a-Alanine, conf. I
124599.0448 0.3757 -5.9030 3 180.0258243 89502 303402120 392217 a-Alanine, conf. I
124599.1429 0.3757 -5.9030 3 180.0258243 89502 303402119 392218 a-Alanine, conf. I
124629.0596 2.1807 -6.4537 3 194.3313267 89502 303441431 431528 a-Alanine, conf. I
124661.2074 0.2773 -5.7067 3 114.3502201 89502 303331420 321517 a-Alanine, conf. I
124665.6741 0.0041 -6.0750 3 23.6250 81 89502 3031312 1 1211 1 a-Alanine, conf. I
124665.6741 0.0041 -4.9287 3 23.6250 81 89502 3031312 1 1211 2 a-Alanine, conf. I
124665.6741 0.0041 -4.9287 3 23.6250 81 89502 3031312 2 1211 1 a-Alanine, conf. I
124665.6741 0.0041 -6.0750 3 23.6250 81 89502 3031312 2 1211 2 a-Alanine, conf. I
124668.6273 0.3680 -5.4334 3 171.7135273 89502 30345 441 45 342 a-Alanine, conf. I
124668.6273 0.3680 -6.6261 3 171.7135273 89502 30345 441 45 442 a-Alanine, conf. I
124668.6273 0.3680 -6.6261 3 171.7135273 89502 30345 541 45 342 a-Alanine, conf. I
124668.6273 0.3680 -5.4334 3 171.7135273 89502 30345 541 45 442 a-Alanine, conf. I
124727.1341 1.4376 -6.5618 3 251.8996303 89502 303501535 491832 a-Alanine, conf. I
124730.4205 0.1725 -5.3503 3 57.2057147 89502 30324 816 23 915 a-Alanine, conf. I
124731.7618 2.9368 -5.4493 3 537.2807441 89502 303732251 732152 a-Alanine, conf. I
124749.2693 0.3316 -5.2838 3 215.1055297 89502 30349 742 49 643 a-Alanine, conf. I
124749.2693 0.3316 -6.5024 3 215.1055297 89502 30349 742 49 743 a-Alanine, conf. I
124749.2693 0.3316 -6.5024 3 215.1055297 89502 30349 842 49 643 a-Alanine, conf. I
124749.2693 0.3316 -5.2838 3 215.1055297 89502 30349 842 49 743 a-Alanine, conf. I
124785.0073 2.9029 -5.4489 3 537.2809441 89502 303732351 732252 a-Alanine, conf. I
124814.1688 3.9987 -6.0473 3 917.7511567 89502 303943659 943560 a-Alanine, conf. I
124842.6343 3.4436 -5.6418 3 675.2422483 89502 303803347 803248 a-Alanine, conf. I
124865.9944 5.2356 -5.6937 3 702.3926501 89502 303832856 832757 a-Alanine, conf. I
124875.6163 0.0222 -6.2618 3 25.6339105 89502 30317 413 16 313 a-Alanine, conf. I
124909.8381 0.0189 -5.3664 3 50.2968141 89502 30323 617 22 616 a-Alanine, conf. I
124922.9868 0.3886 -5.9329 3 190.7727249 89502 303412220 402317 a-Alanine, conf. I
124923.0060 0.3886 -5.9329 3 190.7727249 89502 303412219 402318 a-Alanine, conf. I
124942.7327 4.4722 -5.5880 3 633.8589477 89502 303792554 792455 a-Alanine, conf. I
125006.4016 3.3667 -5.4917 3 568.6400453 89502 303752352 752253 a-Alanine, conf. I
125010.6557 0.2683 -5.1657 3 262.4527285 89502 303472819 472720 a-Alanine, conf. I
125010.6557 0.2683 -6.5658 3 262.4527285 89502 303472819 472721 a-Alanine, conf. I
125010.6557 0.2683 -6.5658 3 262.4527285 89502 303472820 472720 a-Alanine, conf. I
125010.6557 0.2683 -5.1657 3 262.4527285 89502 303472820 472721 a-Alanine, conf. I
125059.4734 0.4453 -5.6680 3 93.0664183 89502 303301218 291317 a-Alanine, conf. I
125081.2053 6.6033 -5.8655 3 810.4224531 89502 303883553 883454 a-Alanine, conf. I
125088.3515 3.8698 -5.5379 3 600.8339465 89502 303772453 772354 a-Alanine, conf. I
125088.7858 0.5424 -6.3825 3 336.6341315 89502 303523418 513517 a-Alanine, conf. I
125088.7858 0.5424 -6.3825 3 336.6341315 89502 303523419 513516 a-Alanine, conf. I
125093.7900 0.3546 -5.7246 3 122.6991207 89502 303341519 331618 a-Alanine, conf. I
125108.2662 3.2977 -5.4910 3 568.6405453 89502 303752452 752353 a-Alanine, conf. I
125116.7916 0.0070 -6.1015 3 28.9171105 89502 30317 8 9 16 7 9 a-Alanine, conf. I
125119.1760 0.0418 -6.4467 3 83.7738141 89502 3032322 1 2222 0 a-Alanine, conf. I
125119.1760 0.0418 -6.4467 3 83.7738141 89502 3032322 2 2222 1 a-Alanine, conf. I
125123.6439 0.6186 -6.6681 3 363.2513345 89502 303572929 572829 a-Alanine, conf. I
125123.6471 0.6186 -5.2190 3 363.2513345 89502 303572928 572829 a-Alanine, conf. I
125123.6852 0.6186 -5.2190 3 363.2513345 89502 303572929 572830 a-Alanine, conf. I
125123.6883 0.6186 -6.6681 3 363.2513345 89502 303572928 572830 a-Alanine, conf. I
125153.7509 4.7129 -5.6380 3 667.7147489 89502 303812755 812656 a-Alanine, conf. I
125176.6580 32.4198 -6.6770 3 1259.2518669 89502 303B13873 B13774 a-Alanine, conf. I
125207.6251 0.0358 -6.1478 3 80.4111141 89502 3032321 2 2221 1 a-Alanine, conf. I
125207.6251 0.0358 -6.1478 3 80.4111141 89502 3032321 3 2221 2 a-Alanine, conf. I
125241.3953 0.0192 -6.2595 3 25.6365105 89502 30317 513 16 413 a-Alanine, conf. I
125258.5133 1.3866 -6.2464 3 1032.0393603 89502 303A03764 A03665 a-Alanine, conf. I
125279.4816 3.7329 -5.5366 3 600.8349465 89502 303772553 772454 a-Alanine, conf. I
125294.3342 0.4023 -5.9631 3 201.8588255 89502 303422320 412417 a-Alanine, conf. I
125294.3378 0.4023 -5.9631 3 201.8588255 89502 303422319 412418 a-Alanine, conf. I
125294.4569 4.2069 -5.5856 3 633.8608477 89502 303792654 792555 a-Alanine, conf. I
125304.9583 0.7330 -6.5059 3 233.6182291 89502 303481533 471830 a-Alanine, conf. I
125305.1707 2.6479 -6.5457 3 230.9652291 89502 303481534 471631 a-Alanine, conf. I
125307.4800 4.7116 -5.7474 3 741.2642507 89502 303843450 843351 a-Alanine, conf. I
125310.4098 0.0306 -5.9744 3 77.2079141 89502 3032320 3 2220 2 a-Alanine, conf. I
125310.4098 0.0306 -5.9744 3 77.2079141 89502 3032320 4 2220 3 a-Alanine, conf. I
125340.6773 1.5890 -5.4130 3 525.8935423 89502 303703139 703040 a-Alanine, conf. I
125343.4073 0.0194 -4.7102 3 55.1874159 89502 30326 224 25 323 a-Alanine, conf. I
125343.4074 0.0194 -5.2875 3 55.1874159 89502 30326 324 25 323 a-Alanine, conf. I
125343.4076 0.0194 -5.2875 3 55.1874159 89502 30326 224 25 223 a-Alanine, conf. I
125343.4078 0.0194 -4.7102 3 55.1874159 89502 30326 324 25 223 a-Alanine, conf. I
125368.1723 1.5712 -5.4128 3 525.8924423 89502 303703140 703041 a-Alanine, conf. I
125374.5623 0.0227 -5.0259 3 50.2968141 89502 30323 717 22 616 a-Alanine, conf. I
125375.6960 1.0331 -5.3080 3 446.4495387 89502 303643034 642935 a-Alanine, conf. I
125377.6689 1.0320 -5.3080 3 446.4494387 89502 303643035 642936 a-Alanine, conf. I
125390.2836 0.0033 -4.9779 3 24.3576 87 89502 3031411 4 1310 3 a-Alanine, conf. I
125390.2857 0.0033 -6.0885 3 24.3576 87 89502 3031411 3 1310 3 a-Alanine, conf. I
125390.2995 0.0033 -6.0885 3 24.3576 87 89502 3031411 4 1310 4 a-Alanine, conf. I
125390.3016 0.0033 -4.9779 3 24.3576 87 89502 3031411 3 1310 4 a-Alanine, conf. I
125396.2757 0.2426 -5.1660 3 253.8281279 89502 303462818 462719 a-Alanine, conf. I
125396.2757 0.2426 -6.5608 3 253.8281279 89502 303462818 462720 a-Alanine, conf. I
125396.2757 0.2426 -6.5608 3 253.8281279 89502 303462819 462719 a-Alanine, conf. I
125396.2757 0.2426 -5.1660 3 253.8281279 89502 303462819 462720 a-Alanine, conf. I
125403.3824 0.3998 -6.6502 3 78.2621165 89502 303271314 271017 a-Alanine, conf. I
125420.7387 0.0558 -6.1033 3 30.8081111 89502 30318 612 17 512 a-Alanine, conf. I
125430.7456 0.0265 -5.8525 3 74.1648141 89502 3032319 4 2219 3 a-Alanine, conf. I
125430.7456 0.0265 -5.8525 3 74.1648141 89502 3032319 5 2219 4 a-Alanine, conf. I
125433.2204 1.1129 -6.5538 3 362.6462369 89502 303611546 611547 a-Alanine, conf. I
125433.2252 1.1129 -5.2557 3 362.6462369 89502 303611546 611447 a-Alanine, conf. I
125433.2852 1.1129 -5.2557 3 362.6462369 89502 303611646 611547 a-Alanine, conf. I
125433.2900 1.1129 -6.5538 3 362.6462369 89502 303611646 611447 a-Alanine, conf. I
125452.8319 2.9398 -5.6376 3 675.2182483 89502 303803348 803249 a-Alanine, conf. I
125467.0212 0.4164 -5.2415 3 248.9797315 89502 30352 943 52 844 a-Alanine, conf. I
125467.0212 0.4164 -6.4782 3 248.9797315 89502 30352 943 52 944 a-Alanine, conf. I
125467.0212 0.4164 -6.4782 3 248.9797315 89502 303521043 52 844 a-Alanine, conf. I
125467.0212 0.4164 -5.2415 3 248.9797315 89502 303521043 52 944 a-Alanine, conf. I
125490.0534 2.2943 -6.2116 3 1013.2116597 89502 303993763 993664 a-Alanine, conf. I
125496.1696 0.5537 -6.3898 3 102.1683189 89502 303311417 311120 a-Alanine, conf. I
125523.0911 1.7143 -6.6498 3 432.0255399 89502 303661848 661849 a-Alanine, conf. I
125523.2460 1.7142 -5.3176 3 432.0255399 89502 303661848 661749 a-Alanine, conf. I
125524.7589 1.7135 -5.3176 3 432.0255399 89502 303661948 661849 a-Alanine, conf. I
125524.9138 1.7134 -6.6498 3 432.0255399 89502 303661948 661749 a-Alanine, conf. I
125530.9372 4.2120 -5.8877 3 827.0658537 89502 303893555 893456 a-Alanine, conf. I
125541.0407 0.4143 -5.5270 3 160.3815267 89502 30344 341 44 242 a-Alanine, conf. I
125541.0407 0.4143 -6.7113 3 160.3815267 89502 30344 341 44 342 a-Alanine, conf. I
125541.0407 0.4143 -6.7113 3 160.3815267 89502 30344 441 44 242 a-Alanine, conf. I
125541.0407 0.4143 -5.5270 3 160.3815267 89502 30344 441 44 342 a-Alanine, conf. I
125572.8538 0.0237 -5.7590 3 71.2824141 89502 3032318 5 2218 4 a-Alanine, conf. I
125572.8538 0.0237 -5.7590 3 71.2824141 89502 3032318 6 2218 5 a-Alanine, conf. I
125608.9372 2.2799 -5.5173 3 598.1252453 89502 303753243 753144 a-Alanine, conf. I
125625.1252 1.1044 -6.5238 3 242.6699297 89502 303491534 481831 a-Alanine, conf. I
125664.0697 6.7951 -6.1656 3 986.2736591 89502 303983564 983465 a-Alanine, conf. I
125664.8047 0.0185 -5.3726 3 47.2608135 89502 30322 715 21 714 a-Alanine, conf. I
125691.2677 0.5643 -6.4177 3 351.5939321 89502 303533518 523617 a-Alanine, conf. I
125691.2677 0.5643 -6.4177 3 351.5939321 89502 303533519 523616 a-Alanine, conf. I
125699.4961 0.0194 -4.9038 3 52.9082147 89502 30324 519 23 618 a-Alanine, conf. I
125704.3606 0.4167 -5.9936 3 213.2836261 89502 303432420 422517 a-Alanine, conf. I
125704.3612 0.4167 -5.9936 3 213.2836261 89502 303432419 422518 a-Alanine, conf. I
125704.4523 0.0143 -6.5704 3 13.5394 81 89502 30313 310 12 211 a-Alanine, conf. I
125716.8995 0.0194 -5.3405 3 52.9082147 89502 30324 619 23 618 a-Alanine, conf. I
125733.2190 2.3865 -6.2781 3 1051.0380609 89502 303A13765 A13666 a-Alanine, conf. I
125740.5838 0.0195 -5.3403 3 52.9069147 89502 30324 519 23 518 a-Alanine, conf. I
125742.3905 0.0228 -5.6838 3 68.5617141 89502 3032317 6 2217 5 a-Alanine, conf. I
125742.3905 0.0228 -5.6838 3 68.5617141 89502 3032317 7 2217 6 a-Alanine, conf. I
125749.4249 2.1761 -5.5164 3 598.1198453 89502 303753244 753145 a-Alanine, conf. I
125754.6977 0.2186 -5.1679 3 245.3935273 89502 303452817 452718 a-Alanine, conf. I
125754.6977 0.2186 -6.5577 3 245.3935273 89502 303452817 452719 a-Alanine, conf. I
125754.6977 0.2186 -6.5577 3 245.3935273 89502 303452818 452718 a-Alanine, conf. I
125754.6977 0.2186 -5.1679 3 245.3935273 89502 303452818 452719 a-Alanine, conf. I
125757.9872 0.0195 -4.9034 3 52.9069147 89502 30324 619 23 518 a-Alanine, conf. I
125760.8723 7.3550 -6.0944 3 945.5117579 89502 303963463 963364 a-Alanine, conf. I
125776.7772 2.0307 -6.6795 3 256.7607303 89502 303501733 492030 a-Alanine, conf. I
125805.2427 0.5686 -6.6498 3 352.7200339 89502 303562928 562828 a-Alanine, conf. I
125805.2438 0.5686 -5.2075 3 352.7200339 89502 303562927 562828 a-Alanine, conf. I
125805.2581 0.5686 -5.2075 3 352.7200339 89502 303562928 562829 a-Alanine, conf. I
125805.2591 0.5686 -6.6498 3 352.7200339 89502 303562927 562829 a-Alanine, conf. I
125831.5134 0.3350 -5.3167 3 202.8519291 89502 30348 642 48 543 a-Alanine, conf. I
125831.5134 0.3350 -6.5260 3 202.8519291 89502 30348 642 48 643 a-Alanine, conf. I
125831.5134 0.3350 -6.5260 3 202.8519291 89502 30348 742 48 543 a-Alanine, conf. I
125831.5134 0.3350 -5.3167 3 202.8519291 89502 30348 742 48 643 a-Alanine, conf. I
125850.1687 0.5825 -5.2269 3 284.8744333 89502 303551144 551045 a-Alanine, conf. I
125850.1687 0.5825 -6.4827 3 284.8744333 89502 303551144 551145 a-Alanine, conf. I
125850.1689 0.5825 -6.4827 3 284.8744333 89502 303551244 551045 a-Alanine, conf. I
125850.1689 0.5825 -5.2269 3 284.8744333 89502 303551244 551145 a-Alanine, conf. I
125856.9982 0.8157 -6.5091 3 322.7702351 89502 303581345 581346 a-Alanine, conf. I
125856.9985 0.8157 -5.2329 3 322.7702351 89502 303581345 581246 a-Alanine, conf. I
125857.0027 0.8157 -5.2329 3 322.7702351 89502 303581445 581346 a-Alanine, conf. I
125857.0030 0.8157 -6.5091 3 322.7702351 89502 303581445 581246 a-Alanine, conf. I
125947.1285 0.0236 -5.6211 3 66.0040141 89502 3032316 8 2216 7 a-Alanine, conf. I
125947.1286 0.0236 -5.6211 3 66.0040141 89502 3032316 7 2216 6 a-Alanine, conf. I
126015.9939 5.7813 -6.2365 3 1027.8358603 89502 303A03665 A03566 a-Alanine, conf. I
126023.7022 0.7203 -6.0297 3 123.5951213 89502 303351224 341321 a-Alanine, conf. I
126047.0512 0.0042 -5.0356 3 25.4543 93 89502 3031510 6 14 9 5 a-Alanine, conf. I
126047.4992 0.0042 -6.0969 3 25.4543 93 89502 3031510 5 14 9 5 a-Alanine, conf. I
126047.5981 8.2960 -5.8343 3 790.4843531 89502 303882959 882860 a-Alanine, conf. I
126049.7669 0.0042 -6.0969 3 25.4542 93 89502 3031510 6 14 9 6 a-Alanine, conf. I
126050.2150 0.0042 -5.0355 3 25.4542 93 89502 3031510 5 14 9 6 a-Alanine, conf. I
126087.5953 0.1964 -5.1716 3 237.1486267 89502 303442816 442717 a-Alanine, conf. I
126087.5953 0.1964 -6.5564 3 237.1486267 89502 303442816 442718 a-Alanine, conf. I
126087.5953 0.1964 -6.5564 3 237.1486267 89502 303442817 442717 a-Alanine, conf. I
126087.5953 0.1964 -5.1716 3 237.1486267 89502 303442817 442718 a-Alanine, conf. I
126104.0264 0.0777 -5.3937 3 48.9173135 89502 30322 913 21 912 a-Alanine, conf. I
126146.3198 0.4317 -6.0245 3 225.0470267 89502 303442520 432617 a-Alanine, conf. I
126146.3199 0.4317 -6.0245 3 225.0470267 89502 303442519 432618 a-Alanine, conf. I
126163.8321 7.5138 -6.0237 3 905.5507567 89502 303943362 943263 a-Alanine, conf. I
126183.7743 0.1019 -5.7353 3 104.5874195 89502 303321221 311318 a-Alanine, conf. I
126198.0928 0.0261 -5.5677 3 63.6111141 89502 3032315 9 2215 8 a-Alanine, conf. I
126198.0957 0.0261 -5.5677 3 63.6111141 89502 3032315 8 2215 7 a-Alanine, conf. I
126252.2554 25.0109 -6.6086 3 1227.6541657 89502 303A94168 A94069 a-Alanine, conf. I
126298.6495 0.5874 -6.4534 3 366.8905327 89502 303543618 533717 a-Alanine, conf. I
126298.6495 0.5874 -6.4534 3 366.8905327 89502 303543619 533716 a-Alanine, conf. I
126315.6544 21.5464 -6.3506 3 1084.9173621 89502 303A33568 A33469 a-Alanine, conf. I
126334.3400 0.9495 -5.2897 3 434.5693381 89502 303633033 632934 a-Alanine, conf. I
126335.1784 0.9491 -5.2897 3 434.5692381 89502 303633034 632935 a-Alanine, conf. I
126339.6740 2.5393 -6.7092 3 313.4955339 89502 303561640 551937 a-Alanine, conf. I
126343.2556 3.5042 -6.1740 3 994.5635591 89502 303983762 983663 a-Alanine, conf. I
126352.2335 0.4659 -5.6724 3 149.2764261 89502 30343 241 43 142 a-Alanine, conf. I
126352.2335 0.4659 -5.6724 3 149.2764261 89502 30343 341 43 242 a-Alanine, conf. I
126396.5211 0.1759 -5.1771 3 229.0928261 89502 303432815 432716 a-Alanine, conf. I
126396.5211 0.1759 -6.5572 3 229.0928261 89502 303432815 432717 a-Alanine, conf. I
126396.5211 0.1759 -6.5572 3 229.0928261 89502 303432816 432716 a-Alanine, conf. I
126396.5211 0.1759 -5.1771 3 229.0928261 89502 303432816 432717 a-Alanine, conf. I
126398.2614 0.9449 -6.2527 3 119.3789207 89502 303341321 341024 a-Alanine, conf. I
126399.8307 0.0053 -5.1123 3 26.9400 99 89502 30316 9 8 15 8 7 a-Alanine, conf. I
126428.8649 1.9734 -6.6886 3 460.4220411 89502 303681949 681950 a-Alanine, conf. I
126429.2150 1.9732 -5.3459 3 460.4220411 89502 303681949 681850 a-Alanine, conf. I
126432.4196 1.9715 -5.3459 3 460.4220411 89502 303682049 681950 a-Alanine, conf. I
126432.7698 1.9713 -6.6886 3 460.4220411 89502 303682049 681850 a-Alanine, conf. I
126434.5935 0.0054 -6.1003 3 26.9400 99 89502 30316 9 7 15 8 7 a-Alanine, conf. I
126441.1162 0.5225 -6.6329 3 342.3834333 89502 303552927 552827 a-Alanine, conf. I
126441.1166 0.5225 -5.1971 3 342.3834333 89502 303552926 552827 a-Alanine, conf. I
126441.1218 0.5225 -5.1971 3 342.3834333 89502 303552927 552828 a-Alanine, conf. I
126441.1222 0.5225 -6.6329 3 342.3834333 89502 303552926 552828 a-Alanine, conf. I
126496.4232 0.0142 -6.3587 3 24.3441105 89502 30317 314 16 214 a-Alanine, conf. I
126511.5668 0.0299 -5.5213 3 61.3853141 89502 303231410 2214 9 a-Alanine, conf. I
126511.6351 0.0299 -5.5213 3 61.3853141 89502 3032314 9 2214 8 a-Alanine, conf. I
126518.4869 4.4998 -6.0077 3 900.0424561 89502 303933658 933559 a-Alanine, conf. I
126525.0676 0.0140 -6.3585 3 24.3442105 89502 30317 414 16 314 a-Alanine, conf. I
126561.0820 0.0056 -6.0996 3 26.9346 99 89502 30316 9 8 15 8 8 a-Alanine, conf. I
126569.1151 3.5679 -5.7388 3 741.2137507 89502 303843451 843352 a-Alanine, conf. I
126586.0899 0.0115 -6.5676 3 13.5392 81 89502 30313 410 12 111 a-Alanine, conf. I
126595.8448 0.0058 -5.1114 3 26.9346 99 89502 30316 9 7 15 8 8 a-Alanine, conf. I
126606.9708 1.4488 -5.3891 3 512.8477417 89502 303693138 693039 a-Alanine, conf. I
126610.6259 10.6960 -6.0831 3 939.9718573 89502 303953758 953659 a-Alanine, conf. I
126614.9109 0.4473 -6.0558 3 237.1486273 89502 303452619 442718 a-Alanine, conf. I
126614.9109 0.4473 -6.0558 3 237.1486273 89502 303452620 442717 a-Alanine, conf. I
126619.7423 1.4407 -5.3890 3 512.8472417 89502 303693139 693040 a-Alanine, conf. I
126662.9050 0.5495 -6.1747 3 129.2245213 89502 303351520 351223 a-Alanine, conf. I
126682.9199 0.1570 -5.1848 3 221.2258255 89502 303422814 422715 a-Alanine, conf. I
126682.9199 0.1570 -6.5602 3 221.2258255 89502 303422814 422716 a-Alanine, conf. I
126682.9199 0.1570 -6.5602 3 221.2258255 89502 303422815 422715 a-Alanine, conf. I
126682.9199 0.1570 -5.1848 3 221.2258255 89502 303422815 422716 a-Alanine, conf. I
126689.8058 1.3008 -6.5806 3 388.8904381 89502 303631647 631648 a-Alanine, conf. I
126689.8178 1.3008 -5.2730 3 388.8904381 89502 303631647 631548 a-Alanine, conf. I
126689.9576 1.3007 -5.2730 3 388.8904381 89502 303631747 631648 a-Alanine, conf. I
126689.9696 1.3007 -6.5806 3 388.8904381 89502 303631747 631548 a-Alanine, conf. I
126705.4988 0.4031 -5.6897 3 114.3465201 89502 303331419 321518 a-Alanine, conf. I
126710.7126 0.3728 -5.2565 3 236.0380309 89502 30351 843 51 744 a-Alanine, conf. I
126710.7126 0.3728 -6.4832 3 236.0380309 89502 30351 843 51 844 a-Alanine, conf. I
126710.7126 0.3728 -6.4832 3 236.0380309 89502 30351 943 51 744 a-Alanine, conf. I
126710.7126 0.3728 -5.2565 3 236.0380309 89502 30351 943 51 844 a-Alanine, conf. I
126719.1047 0.3692 -5.5590 3 74.0352165 89502 303271017 261116 a-Alanine, conf. I
126738.4972 7.3586 -5.9542 3 866.3927555 89502 303923261 923162 a-Alanine, conf. I
126749.4595 0.8836 -6.3812 3 105.2073195 89502 303321220 32 923 a-Alanine, conf. I
126779.0927 0.0265 -5.2558 3 56.9078165 89502 30327 126 26 125 a-Alanine, conf. I
126779.0927 0.0265 -4.6495 3 56.9078165 89502 30327 126 26 225 a-Alanine, conf. I
126779.0927 0.0265 -4.6495 3 56.9078165 89502 30327 226 26 125 a-Alanine, conf. I
126779.0927 0.0265 -5.2558 3 56.9078165 89502 30327 226 26 225 a-Alanine, conf. I
126838.0780 0.3598 -5.3627 3 190.8186285 89502 30347 542 47 443 a-Alanine, conf. I
126838.0780 0.3598 -6.5631 3 190.8186285 89502 30347 542 47 543 a-Alanine, conf. I
126838.0780 0.3598 -6.5631 3 190.8186285 89502 30347 642 47 443 a-Alanine, conf. I
126838.0780 0.3598 -5.3627 3 190.8186285 89502 30347 642 47 543 a-Alanine, conf. I
126850.5638 0.0295 -5.2587 3 32.1731111 89502 30318 811 17 710 a-Alanine, conf. I
126910.2831 0.6117 -6.4898 3 382.5237333 89502 303553718 543817 a-Alanine, conf. I
126910.2831 0.6117 -6.4898 3 382.5237333 89502 303553719 543816 a-Alanine, conf. I
126912.6106 0.0347 -5.4804 3 59.3302141 89502 303231311 221310 a-Alanine, conf. I
126913.8656 0.0348 -5.4804 3 59.3302141 89502 303231310 2213 9 a-Alanine, conf. I
126915.3048 2.9907 -5.6071 3 660.2361477 89502 303793346 793247 a-Alanine, conf. I
126939.8046 2.9941 -6.6191 3 270.6526315 89502 303521637 511734 a-Alanine, conf. I
126948.1405 0.1400 -5.1947 3 213.5470249 89502 303412813 412714 a-Alanine, conf. I
126948.1405 0.1400 -6.5656 3 213.5470249 89502 303412813 412715 a-Alanine, conf. I
126948.1405 0.1400 -6.5656 3 213.5470249 89502 303412814 412714 a-Alanine, conf. I
126948.1405 0.1400 -5.1947 3 213.5470249 89502 303412814 412715 a-Alanine, conf. I
126950.0267 4.3294 -6.3065 3 1070.1994615 89502 303A23766 A23667 a-Alanine, conf. I
126953.4339 16.8276 -6.3315 3 1079.0694615 89502 303A23963 A23864 a-Alanine, conf. I
126965.0945 0.9155 -6.1436 3 134.3979219 89502 303361422 361125 a-Alanine, conf. I
127034.5628 0.4798 -6.6174 3 332.2408327 89502 303542926 542826 a-Alanine, conf. I
127034.5629 0.4798 -5.1879 3 332.2408327 89502 303542925 542826 a-Alanine, conf. I
127034.5648 0.4798 -5.1879 3 332.2408327 89502 303542926 542827 a-Alanine, conf. I
127034.5649 0.4798 -6.6174 3 332.2408327 89502 303542925 542827 a-Alanine, conf. I
127041.0785 0.0198 -4.8101 3 55.2644153 89502 30325 421 24 520 a-Alanine, conf. I
127041.4610 0.0198 -5.3100 3 55.2644153 89502 30325 521 24 520 a-Alanine, conf. I
127042.0683 0.0198 -5.3100 3 55.2644153 89502 30325 421 24 420 a-Alanine, conf. I
127042.4508 0.0198 -4.8101 3 55.2644153 89502 30325 521 24 420 a-Alanine, conf. I
127105.9049 0.4635 -6.0876 3 249.5883279 89502 303462719 452818 a-Alanine, conf. I
127105.9049 0.4635 -6.0876 3 249.5883279 89502 303462720 452817 a-Alanine, conf. I
127106.6289 0.5200 -5.9435 3 138.3999255 89502 30342 141 42 042 a-Alanine, conf. I
127106.6289 0.5200 -5.9435 3 138.3999255 89502 30342 241 42 142 a-Alanine, conf. I
127176.5272 0.0253 -5.3604 3 51.6495141 89502 30323 816 22 815 a-Alanine, conf. I
127190.8074 2.0474 -5.4886 3 584.1054447 89502 303743242 743143 a-Alanine, conf. I
127193.4458 0.1248 -5.2071 3 206.0561243 89502 303402812 402713 a-Alanine, conf. I
127193.4458 0.1248 -6.5738 3 206.0561243 89502 303402812 402714 a-Alanine, conf. I
127193.4458 0.1248 -6.5738 3 206.0561243 89502 303402813 402713 a-Alanine, conf. I
127193.4458 0.1248 -5.2071 3 206.0561243 89502 303402813 402714 a-Alanine, conf. I
127215.3095 2.2633 -6.7314 3 489.6662423 89502 303702050 702051 a-Alanine, conf. I
127216.0825 2.2628 -5.3779 3 489.6662423 89502 303702050 701951 a-Alanine, conf. I
127222.7218 2.2589 -5.3779 3 489.6662423 89502 303702150 702051 a-Alanine, conf. I
127223.4947 2.2584 -6.7314 3 489.6662423 89502 303702150 701951 a-Alanine, conf. I
127226.6564 0.8739 -6.7424 3 422.8875375 89502 303623033 622933 a-Alanine, conf. I
127226.6898 0.8739 -5.2726 3 422.8875375 89502 303623032 622933 a-Alanine, conf. I
127227.0374 0.8737 -5.2726 3 422.8875375 89502 303623033 622934 a-Alanine, conf. I
127227.0708 0.8737 -6.7424 3 422.8875375 89502 303623032 622934 a-Alanine, conf. I
127235.5528 2.7264 -5.6049 3 660.2237477 89502 303793347 793248 a-Alanine, conf. I
127260.1845 1.9966 -5.4881 3 584.1028447 89502 303743243 743144 a-Alanine, conf. I
127277.2795 0.4990 -5.2300 3 271.2542327 89502 303541044 54 945 a-Alanine, conf. I
127277.2795 0.4990 -6.4750 3 271.2542327 89502 303541044 541045 a-Alanine, conf. I
127277.2795 0.4990 -6.4750 3 271.2542327 89502 303541144 54 945 a-Alanine, conf. I
127277.2795 0.4990 -5.2300 3 271.2542327 89502 303541144 541045 a-Alanine, conf. I
127319.6145 0.9670 -6.5274 3 347.7013363 89502 303601446 601447 a-Alanine, conf. I
127319.6152 0.9670 -5.2422 3 347.7013363 89502 303601446 601347 a-Alanine, conf. I
127319.6259 0.9670 -5.2422 3 347.7013363 89502 303601546 601447 a-Alanine, conf. I
127319.6267 0.9670 -6.5274 3 347.7013363 89502 303601546 601347 a-Alanine, conf. I
127370.6898 6.9853 -5.8867 3 828.0405543 89502 303903160 903061 a-Alanine, conf. I
127372.1701 6.9306 -5.7665 3 753.7610519 89502 303862858 862759 a-Alanine, conf. I
127396.9789 0.0110 -6.0946 3 28.8051105 89502 30317 810 16 710 a-Alanine, conf. I
127420.0216 0.1118 -5.2224 3 198.7527237 89502 303392811 392712 a-Alanine, conf. I
127420.0216 0.1118 -6.5849 3 198.7527237 89502 303392811 392713 a-Alanine, conf. I
127420.0216 0.1118 -6.5849 3 198.7527237 89502 303392812 392712 a-Alanine, conf. I
127420.0216 0.1118 -5.2224 3 198.7527237 89502 303392812 392713 a-Alanine, conf. I
127438.1041 0.0406 -5.4438 3 57.4514141 89502 303231212 221211 a-Alanine, conf. I
127444.9378 11.3020 -5.9859 3 883.6293561 89502 303933162 933063 a-Alanine, conf. I
127455.6845 0.0411 -5.4437 3 57.4517141 89502 303231211 221210 a-Alanine, conf. I
127495.4311 0.7004 -6.4913 3 308.4820345 89502 303571245 571246 a-Alanine, conf. I
127495.4312 0.7004 -5.2269 3 308.4820345 89502 303571245 571146 a-Alanine, conf. I
127495.4318 0.7004 -5.2269 3 308.4820345 89502 303571345 571246 a-Alanine, conf. I
127495.4319 0.7004 -6.4913 3 308.4820345 89502 303571345 571146 a-Alanine, conf. I
127512.3939 0.7650 -6.5229 3 91.8891183 89502 303301119 30 822 a-Alanine, conf. I
127525.6006 0.6373 -6.5266 3 398.4936339 89502 303563818 553917 a-Alanine, conf. I
127525.6006 0.6373 -6.5266 3 398.4936339 89502 303563819 553916 a-Alanine, conf. I
127537.7273 4.1928 -5.8490 3 810.3226531 89502 303883554 883455 a-Alanine, conf. I
127565.9886 0.0150 -6.5108 3 22.9128105 89502 30317 215 16 115 a-Alanine, conf. I
127567.3273 0.0150 -6.5108 3 22.9128105 89502 30317 315 16 215 a-Alanine, conf. I
127588.5374 0.4402 -6.6034 3 322.2914321 89502 303532925 532825 a-Alanine, conf. I
127588.5375 0.4402 -5.1799 3 322.2914321 89502 303532924 532825 a-Alanine, conf. I
127588.5381 0.4402 -6.6034 3 322.2914321 89502 303532924 532826 a-Alanine, conf. I
127588.5381 0.4402 -5.1799 3 322.2914321 89502 303532925 532826 a-Alanine, conf. I
127615.8838 0.4803 -6.1197 3 262.3658285 89502 303472819 462918 a-Alanine, conf. I
127615.8838 0.4803 -6.1197 3 262.3658285 89502 303472820 462917 a-Alanine, conf. I
127628.9840 0.1012 -5.2411 3 191.6364231 89502 303382810 382711 a-Alanine, conf. I
127628.9840 0.1012 -6.5995 3 191.6364231 89502 303382810 382712 a-Alanine, conf. I
127628.9840 0.1012 -6.5995 3 191.6364231 89502 303382811 382711 a-Alanine, conf. I
127628.9840 0.1012 -5.2411 3 191.6364231 89502 303382811 382712 a-Alanine, conf. I
127654.8049 15.5804 -6.1575 3 981.7867591 89502 303983365 983266 a-Alanine, conf. I
127698.7104 4.4300 -6.1343 3 976.1033585 89502 303973761 973662 a-Alanine, conf. I
127774.9900 0.3997 -5.4272 3 179.0081279 89502 30346 442 46 343 a-Alanine, conf. I
127774.9900 0.3997 -6.6190 3 179.0081279 89502 30346 442 46 443 a-Alanine, conf. I
127774.9900 0.3997 -6.6190 3 179.0081279 89502 30346 542 46 343 a-Alanine, conf. I
127774.9900 0.3997 -5.4272 3 179.0081279 89502 30346 542 46 443 a-Alanine, conf. I
127776.8565 1.3267 -5.3665 3 500.0044411 89502 303683137 683038 a-Alanine, conf. I
127782.6511 1.3231 -5.3664 3 500.0042411 89502 303683138 683039 a-Alanine, conf. I
127806.6023 3.9860 -5.7079 3 725.4754501 89502 303833449 833350 a-Alanine, conf. I
127821.3860 0.0934 -5.2636 3 184.7069225 89502 3033728 9 372710 a-Alanine, conf. I
127821.3860 0.0934 -6.6181 3 184.7069225 89502 3033728 9 372711 a-Alanine, conf. I
127821.3860 0.0934 -6.6181 3 184.7069225 89502 303372810 372710 a-Alanine, conf. I
127821.3860 0.0934 -5.2636 3 184.7069225 89502 303372810 372711 a-Alanine, conf. I
127838.6661 7.5657 -5.9449 3 865.3408549 89502 303913655 913556 a-Alanine, conf. I
127849.1094 1.5105 -6.6117 3 415.9905393 89502 303651748 651749 a-Alanine, conf. I
127849.1386 1.5105 -5.2944 3 415.9905393 89502 303651748 651649 a-Alanine, conf. I
127849.4551 1.5104 -5.2944 3 415.9905393 89502 303651848 651749 a-Alanine, conf. I
127849.4843 1.5104 -6.6117 3 415.9905393 89502 303651848 651649 a-Alanine, conf. I
127867.1550 0.3546 -5.2794 3 223.3121303 89502 30350 743 50 644 a-Alanine, conf. I
127867.1550 0.3546 -6.4965 3 223.3121303 89502 30350 743 50 744 a-Alanine, conf. I
127867.1550 0.3546 -6.4965 3 223.3121303 89502 30350 843 50 644 a-Alanine, conf. I
127867.1550 0.3546 -5.2794 3 223.3121303 89502 30350 843 50 744 a-Alanine, conf. I
127875.2929 2.5875 -5.4136 3 519.7552435 89502 303722151 722052 a-Alanine, conf. I
127888.7626 2.5789 -5.4135 3 519.7552435 89502 303722251 722152 a-Alanine, conf. I
127972.3666 6.4812 -5.8215 3 790.4977531 89502 303883059 882960 a-Alanine, conf. I
127998.2230 0.0884 -5.2908 3 177.9639219 89502 3033628 8 3627 9 a-Alanine, conf. I
127998.2230 0.0884 -6.6414 3 177.9639219 89502 3033628 8 362710 a-Alanine, conf. I
127998.2230 0.0884 -6.6414 3 177.9639219 89502 3033628 9 3627 9 a-Alanine, conf. I
127998.2230 0.0884 -5.2908 3 177.9639219 89502 3033628 9 362710 a-Alanine, conf. I
128058.5781 0.8051 -6.7191 3 411.4033369 89502 303613032 612932 a-Alanine, conf. I
128058.5908 0.8051 -5.2566 3 411.4033369 89502 303613031 612932 a-Alanine, conf. I
128058.7314 0.8051 -5.2566 3 411.4033369 89502 303613032 612933 a-Alanine, conf. I
128058.7441 0.8050 -6.7191 3 411.4033369 89502 303613031 612933 a-Alanine, conf. I
128105.7042 0.4032 -5.1731 3 312.5348315 89502 303522923 522824 a-Alanine, conf. I
128105.7042 0.4032 -6.5907 3 312.5348315 89502 303522924 522824 a-Alanine, conf. I
128105.7044 0.4032 -5.1731 3 312.5348315 89502 303522924 522825 a-Alanine, conf. I
128105.7045 0.4032 -6.5907 3 312.5348315 89502 303522923 522825 a-Alanine, conf. I
128108.2324 1.5152 -6.3420 3 1093.8152621 89502 303A33866 A33767 a-Alanine, conf. I
128109.8146 0.0465 -5.4105 3 55.7567141 89502 303231113 221112 a-Alanine, conf. I
128136.2052 0.0575 -5.3557 3 48.0153135 89502 30322 814 21 813 a-Alanine, conf. I
128142.0516 0.4977 -6.1524 3 275.4809291 89502 303482919 473018 a-Alanine, conf. I
128142.0516 0.4977 -6.1524 3 275.4809291 89502 303482920 473017 a-Alanine, conf. I
128144.1017 0.6644 -6.5641 3 414.8000345 89502 303573918 564017 a-Alanine, conf. I
128144.1017 0.6644 -6.5641 3 414.8000345 89502 303573919 564016 a-Alanine, conf. I
128160.4383 0.0865 -5.3235 3 171.4069213 89502 3033528 7 3527 8 a-Alanine, conf. I
128160.4383 0.0865 -6.6704 3 171.4069213 89502 3033528 7 3527 9 a-Alanine, conf. I
128160.4383 0.0865 -6.6704 3 171.4069213 89502 3033528 8 3527 8 a-Alanine, conf. I
128160.4383 0.0865 -5.3235 3 171.4069213 89502 3033528 8 3527 9 a-Alanine, conf. I
128168.6931 5.4294 -5.8202 3 793.8431525 89502 303873552 873453 a-Alanine, conf. I
128211.6659 0.6197 -6.6742 3 79.4292171 89502 303281018 28 721 a-Alanine, conf. I
128213.9961 0.0409 -5.2248 3 58.4455171 89502 30328 028 27 027 a-Alanine, conf. I
128213.9961 0.0409 -4.5949 3 58.4455171 89502 30328 028 27 127 a-Alanine, conf. I
128213.9961 0.0409 -4.5949 3 58.4455171 89502 30328 128 27 027 a-Alanine, conf. I
128213.9961 0.0409 -5.2248 3 58.4455171 89502 30328 128 27 127 a-Alanine, conf. I
128234.6242 5.8885 -5.7039 3 717.8521507 89502 303842757 842658 a-Alanine, conf. I
128290.8963 0.0514 -5.4093 3 55.7606141 89502 303231112 221111 a-Alanine, conf. I
128308.9267 0.0875 -5.3634 3 165.0356207 89502 3033428 6 3427 7 a-Alanine, conf. I
128308.9267 0.0875 -6.7067 3 165.0356207 89502 3033428 6 3427 8 a-Alanine, conf. I
128308.9267 0.0875 -6.7067 3 165.0356207 89502 3033428 7 3427 7 a-Alanine, conf. I
128308.9267 0.0875 -5.3634 3 165.0356207 89502 3033428 7 3427 8 a-Alanine, conf. I
128351.9717 2.5280 -6.3058 3 1074.4340615 89502 303A23865 A23766 a-Alanine, conf. I
128396.2084 2.9532 -5.4528 3 550.6860447 89502 303742252 742153 a-Alanine, conf. I
128422.9928 2.9351 -5.4526 3 550.6861447 89502 303742352 742253 a-Alanine, conf. I
128437.1111 0.0198 -4.7338 3 57.4135159 89502 30326 323 25 422 a-Alanine, conf. I
128437.1163 0.0198 -5.2791 3 57.4135159 89502 30326 423 25 422 a-Alanine, conf. I
128437.1255 0.0198 -5.2791 3 57.4135159 89502 30326 323 25 322 a-Alanine, conf. I
128437.1306 0.0198 -4.7338 3 57.4135159 89502 30326 423 25 322 a-Alanine, conf. I
128444.5391 0.0908 -5.4123 3 158.8499201 89502 3033328 5 3327 6 a-Alanine, conf. I
128444.5391 0.0908 -5.4123 3 158.8499201 89502 3033328 6 3327 7 a-Alanine, conf. I
128448.6569 4.7170 -5.9675 3 882.5349555 89502 303923657 923558 a-Alanine, conf. I
128466.0829 0.2334 -5.7857 3 110.6817201 89502 303331222 321319 a-Alanine, conf. I
128468.3116 0.4569 -5.8860 3 117.0179207 89502 303341223 331320 a-Alanine, conf. I
128473.9680 0.0218 -5.2387 3 28.8051105 89502 30317 8 9 16 710 a-Alanine, conf. I
128481.9162 5.9157 -5.7591 3 753.7682519 89502 303862958 862859 a-Alanine, conf. I
128493.5287 3.3592 -5.7033 3 725.4483501 89502 303833450 833351 a-Alanine, conf. I
128568.0850 0.0961 -5.4737 3 152.8492195 89502 3033228 4 3227 5 a-Alanine, conf. I
128568.0850 0.0961 -5.4737 3 152.8492195 89502 3033228 5 3227 6 a-Alanine, conf. I
128571.0821 2.6135 -6.3752 3 1113.3670627 89502 303A43867 A43768 a-Alanine, conf. I
128588.4785 0.3688 -5.1675 3 302.9702309 89502 303512922 512823 a-Alanine, conf. I
128588.4785 0.3688 -6.5796 3 302.9702309 89502 303512922 512824 a-Alanine, conf. I
128588.4785 0.3688 -6.5796 3 302.9702309 89502 303512923 512823 a-Alanine, conf. I
128588.4785 0.3688 -5.1675 3 302.9702309 89502 303512923 512824 a-Alanine, conf. I
128602.6863 0.4348 -5.2384 3 257.8448321 89502 30353 944 53 845 a-Alanine, conf. I
128602.6863 0.4348 -6.4732 3 257.8448321 89502 30353 944 53 945 a-Alanine, conf. I
128602.6863 0.4348 -6.4732 3 257.8448321 89502 303531044 53 845 a-Alanine, conf. I
128602.6863 0.4348 -5.2384 3 257.8448321 89502 303531044 53 945 a-Alanine, conf. I
128610.8412 7.5537 -6.2575 3 1046.7480609 89502 303A13666 A13567 a-Alanine, conf. I
128632.4844 1.8559 -5.4614 3 570.2923441 89502 303733241 733142 a-Alanine, conf. I
128647.5505 0.4488 -5.5204 3 167.4223273 89502 30345 342 45 243 a-Alanine, conf. I
128647.5505 0.4488 -6.7041 3 167.4223273 89502 30345 342 45 343 a-Alanine, conf. I
128647.5505 0.4488 -6.7041 3 167.4223273 89502 30345 442 45 243 a-Alanine, conf. I
128647.5505 0.4488 -5.5204 3 167.4223273 89502 30345 442 45 343 a-Alanine, conf. I
128665.9508 1.8316 -5.4612 3 570.2910441 89502 303733242 733143 a-Alanine, conf. I
128667.6101 0.0490 -6.6487 3 73.0143165 89502 30327 918 261016 a-Alanine, conf. I
128680.3363 0.1027 -5.5529 3 147.0334189 89502 3033128 3 3127 4 a-Alanine, conf. I
128680.3363 0.1027 -5.5529 3 147.0334189 89502 3033128 4 3127 5 a-Alanine, conf. I
128682.0977 0.5158 -6.1855 3 288.9336297 89502 303493019 483118 a-Alanine, conf. I
128682.0977 0.5158 -6.1855 3 288.9336297 89502 303493020 483117 a-Alanine, conf. I
128690.2262 0.0391 -5.3629 3 52.9130141 89502 30323 915 22 914 a-Alanine, conf. I
128695.1178 1.1372 -6.5504 3 373.4932375 89502 303621547 621548 a-Alanine, conf. I
128695.1199 1.1372 -5.2562 3 373.4932375 89502 303621547 621448 a-Alanine, conf. I
128695.1459 1.1372 -5.2562 3 373.4932375 89502 303621647 621548 a-Alanine, conf. I
128695.1479 1.1372 -6.5504 3 373.4932375 89502 303621647 621448 a-Alanine, conf. I
128696.1111 0.0456 -5.2654 3 35.6513117 89502 30319 812 18 711 a-Alanine, conf. I
128735.7440 0.0221 -4.9662 3 54.4788147 89502 30324 618 23 717 a-Alanine, conf. I
128741.8766 5.0688 -5.6459 3 682.7627495 89502 303822656 822557 a-Alanine, conf. I
128748.9398 2.6475 -5.5747 3 645.4436471 89502 303783345 783246 a-Alanine, conf. I
128753.3431 0.0481 -5.3817 3 54.2516141 89502 303231014 221013 a-Alanine, conf. I
128765.1827 3.3685 -5.4956 3 582.4555459 89502 303762353 762254 a-Alanine, conf. I
128765.3441 0.6931 -6.6021 3 431.4429351 89502 303584018 574117 a-Alanine, conf. I
128765.3441 0.6931 -6.6021 3 431.4429351 89502 303584019 574116 a-Alanine, conf. I
128782.0292 0.1102 -5.6602 3 141.4022183 89502 3033028 2 3027 3 a-Alanine, conf. I
128782.0292 0.1102 -5.6602 3 141.4022183 89502 3033028 3 3027 4 a-Alanine, conf. I
128796.7673 8.2012 -6.1829 3 1004.7766597 89502 303993565 993466 a-Alanine, conf. I
128817.4222 3.3310 -5.4953 3 582.4558459 89502 303762453 762354 a-Alanine, conf. I
128835.0429 0.7422 -6.6972 3 400.1157363 89502 303603031 602931 a-Alanine, conf. I
128835.0477 0.7422 -5.2418 3 400.1157363 89502 303603030 602931 a-Alanine, conf. I
128835.1031 0.7422 -5.2418 3 400.1157363 89502 303603031 602932 a-Alanine, conf. I
128835.1078 0.7422 -6.6972 3 400.1157363 89502 303603030 602932 a-Alanine, conf. I
128860.5192 0.0313 -6.2734 3 16.7779 87 89502 30314 410 13 311 a-Alanine, conf. I
128860.7339 5.3374 -5.6997 3 717.8558507 89502 303842857 842758 a-Alanine, conf. I
128861.9299 1.2186 -5.3451 3 487.3623405 89502 303673136 673037 a-Alanine, conf. I
128864.4982 1.2171 -5.3451 3 487.3622405 89502 303673137 673038 a-Alanine, conf. I
128873.8666 0.1183 -5.8188 3 135.9553177 89502 3032928 1 2927 2 a-Alanine, conf. I
128873.8666 0.1183 -5.8188 3 135.9553177 89502 3032928 2 2927 3 a-Alanine, conf. I
128890.6512 6.3963 -6.3318 3 1089.5158621 89502 303A33767 A33668 a-Alanine, conf. I
128899.6461 23.9821 -6.4514 3 1148.2519639 89502 303A63670 A63571 a-Alanine, conf. I
128906.5563 1.7442 -6.6469 3 443.9438405 89502 303671849 671850 a-Alanine, conf. I
128906.6252 1.7442 -5.3197 3 443.9438405 89502 303671849 671750 a-Alanine, conf. I
128907.3242 1.7438 -5.3197 3 443.9438405 89502 303671949 671850 a-Alanine, conf. I
128907.3930 1.7438 -6.6469 3 443.9438405 89502 303671949 671750 a-Alanine, conf. I
128912.9115 2.5128 -5.5736 3 645.4372471 89502 303783346 783247 a-Alanine, conf. I
128938.6372 0.7655 -6.0602 3 150.2570231 89502 303381523 381226 a-Alanine, conf. I
128943.8128 0.3619 -5.3120 3 210.8044297 89502 30349 643 49 544 a-Alanine, conf. I
128943.8128 0.3619 -6.5201 3 210.8044297 89502 30349 643 49 644 a-Alanine, conf. I
128943.8128 0.3619 -6.5201 3 210.8044297 89502 30349 743 49 544 a-Alanine, conf. I
128943.8128 0.3619 -5.3120 3 210.8044297 89502 30349 743 49 644 a-Alanine, conf. I
128952.6205 0.0208 -5.3280 3 54.4788147 89502 30324 718 23 717 a-Alanine, conf. I
128956.5202 0.1267 -6.1023 3 130.6925171 89502 3032828 0 2827 1 a-Alanine, conf. I
128956.5202 0.1267 -6.1023 3 130.6925171 89502 3032828 1 2827 2 a-Alanine, conf. I
128964.0988 3.8454 -5.5420 3 615.0605471 89502 303782454 782355 a-Alanine, conf. I
128968.0696 4.4027 -5.5920 3 648.4975483 89502 303802555 802456 a-Alanine, conf. I
129013.5856 0.6001 -5.2252 3 294.3989339 89502 303561145 561046 a-Alanine, conf. I
129013.5856 0.6001 -6.4785 3 294.3989339 89502 303561145 561146 a-Alanine, conf. I
129013.5857 0.6001 -6.4785 3 294.3989339 89502 303561245 561046 a-Alanine, conf. I
129013.5857 0.6001 -5.2252 3 294.3989339 89502 303561245 561146 a-Alanine, conf. I
129039.0607 0.3366 -5.1633 3 293.5972303 89502 303502921 502822 a-Alanine, conf. I
129039.0607 0.3366 -6.5699 3 293.5972303 89502 303502922 502822 a-Alanine, conf. I
129039.0608 0.3366 -6.5699 3 293.5972303 89502 303502921 502823 a-Alanine, conf. I
129039.0608 0.3366 -5.1633 3 293.5972303 89502 303502922 502823 a-Alanine, conf. I
129061.0434 0.8359 -6.5054 3 332.9552357 89502 303591346 591347 a-Alanine, conf. I
129061.0436 0.8359 -5.2324 3 332.9552357 89502 303591346 591247 a-Alanine, conf. I
129061.0453 0.8359 -5.2324 3 332.9552357 89502 303591446 591347 a-Alanine, conf. I
129061.0454 0.8359 -6.5054 3 332.9552357 89502 303591446 591247 a-Alanine, conf. I
129064.0777 3.7695 -5.5413 3 615.0610471 89502 303782554 782455 a-Alanine, conf. I
129088.0912 4.7773 -5.6436 3 682.7647495 89502 303822756 822657 a-Alanine, conf. I
129131.8795 2.3552 -6.6469 3 303.2161333 89502 303551639 541936 a-Alanine, conf. I
129155.8724 4.2522 -5.5908 3 648.4985483 89502 303802655 802556 a-Alanine, conf. I
129200.4682 0.0210 -5.3261 3 54.4633147 89502 30324 618 23 617 a-Alanine, conf. I
129202.9236 27.4360 -6.7163 3 1294.7641675 89502 303B24270 B24171 a-Alanine, conf. I
129219.0297 3.8734 -6.2669 3 1055.2320609 89502 303A13864 A13765 a-Alanine, conf. I
129229.2043 0.0076 -6.0508 3 32.1731111 89502 30318 810 17 710 a-Alanine, conf. I
129234.0940 0.5346 -6.2191 3 302.7237303 89502 303503119 493218 a-Alanine, conf. I
129234.0940 0.5346 -6.2191 3 302.7237303 89502 303503120 493217 a-Alanine, conf. I
129299.3149 8.3969 -6.1087 3 963.6023585 89502 303973464 973365 a-Alanine, conf. I
129321.5995 12.0773 -6.1730 3 998.9860591 89502 303983860 983761 a-Alanine, conf. I
129359.8135 0.0060 -6.0186 3 25.4224 81 89502 3031313 0 1212 0 a-Alanine, conf. I
129359.8135 0.0060 -4.8576 3 25.4224 81 89502 3031313 0 1212 1 a-Alanine, conf. I
129359.8135 0.0060 -4.8576 3 25.4224 81 89502 3031313 1 1212 0 a-Alanine, conf. I
129359.8135 0.0060 -6.0186 3 25.4224 81 89502 3031313 1 1212 1 a-Alanine, conf. I
129388.9345 0.7234 -6.6407 3 448.4221357 89502 303594118 584217 a-Alanine, conf. I
129388.9345 0.7234 -6.6407 3 448.4221357 89502 303594119 584216 a-Alanine, conf. I
129417.3447 0.0222 -4.9609 3 54.4633147 89502 30324 718 23 617 a-Alanine, conf. I
129420.8644 5.0062 -6.0934 3 957.8382579 89502 303963760 963661 a-Alanine, conf. I
129459.4653 0.3065 -5.1605 3 284.4153297 89502 303492920 492821 a-Alanine, conf. I
129459.4653 0.3065 -6.5618 3 284.4153297 89502 303492920 492822 a-Alanine, conf. I
129459.4653 0.3065 -6.5618 3 284.4153297 89502 303492921 492821 a-Alanine, conf. I
129459.4653 0.3065 -5.1605 3 284.4153297 89502 303492921 492822 a-Alanine, conf. I
129460.4601 0.5030 -5.6655 3 156.0632267 89502 30344 242 44 143 a-Alanine, conf. I
129460.4601 0.5030 -5.6655 3 156.0632267 89502 30344 342 44 243 a-Alanine, conf. I
129494.1756 9.2864 -5.9084 3 844.8734549 89502 303913061 912962 a-Alanine, conf. I
129537.1313 0.0664 -5.7684 3 23.9070 99 89502 30316 610 15 511 a-Alanine, conf. I
129557.9028 4.0436 -5.8109 3 793.7874525 89502 303873553 873454 a-Alanine, conf. I
129560.4105 0.6844 -6.6766 3 389.0239357 89502 303593030 592930 a-Alanine, conf. I
129560.4122 0.6844 -5.2280 3 389.0239357 89502 303593029 592930 a-Alanine, conf. I
129560.4335 0.6844 -5.2280 3 389.0239357 89502 303593030 592931 a-Alanine, conf. I
129560.4352 0.6844 -6.6766 3 389.0239357 89502 303593029 592931 a-Alanine, conf. I
129562.6981 0.6223 -6.5147 3 245.0288297 89502 303491633 481930 a-Alanine, conf. I
129659.3448 0.0195 -5.3376 3 51.4526141 89502 30323 716 22 715 a-Alanine, conf. I
129698.5173 0.0530 -6.0318 3 20.2340 93 89502 30315 510 14 411 a-Alanine, conf. I
129717.5099 18.7050 -6.4309 3 1142.1491633 89502 303A54065 A53966 a-Alanine, conf. I
129768.7737 3.3223 -6.6835 3 313.3823339 89502 303561740 551837 a-Alanine, conf. I
129775.7756 4.7495 -6.4051 3 1133.0812633 89502 303A53868 A53769 a-Alanine, conf. I
129796.4182 0.5542 -6.2532 3 316.8510309 89502 303513219 503318 a-Alanine, conf. I
129796.4182 0.5542 -6.2532 3 316.8510309 89502 303513220 503317 a-Alanine, conf. I
129819.3496 0.0606 -5.2564 3 39.3387123 89502 30320 813 19 712 a-Alanine, conf. I
129835.8525 0.3939 -5.2533 3 244.6488315 89502 30352 844 52 745 a-Alanine, conf. I
129835.8525 0.3939 -6.4783 3 244.6488315 89502 30352 844 52 845 a-Alanine, conf. I
129835.8525 0.3939 -6.4783 3 244.6488315 89502 30352 944 52 745 a-Alanine, conf. I
129835.8525 0.3939 -5.2533 3 244.6488315 89502 30352 944 52 845 a-Alanine, conf. I
129851.5436 0.2784 -5.1590 3 275.4239291 89502 303482919 482820 a-Alanine, conf. I
129851.5436 0.2784 -6.5553 3 275.4239291 89502 303482919 482821 a-Alanine, conf. I
129851.5436 0.2784 -6.5553 3 275.4239291 89502 303482920 482820 a-Alanine, conf. I
129851.5436 0.2784 -5.1590 3 275.4239291 89502 303482920 482821 a-Alanine, conf. I
129856.8596 2.0044 -6.6861 3 472.7478417 89502 303691950 691951 a-Alanine, conf. I
129857.0179 2.0043 -5.3488 3 472.7478417 89502 303691950 691851 a-Alanine, conf. I
129858.5254 2.0034 -5.3488 3 472.7478417 89502 303692050 691951 a-Alanine, conf. I
129858.6836 2.0033 -6.6861 3 472.7478417 89502 303692050 691851 a-Alanine, conf. I
129862.8916 0.0220 -4.6684 3 59.3685165 89502 30327 225 26 324 a-Alanine, conf. I
129862.8916 0.0220 -5.2484 3 59.3685165 89502 30327 325 26 324 a-Alanine, conf. I
129862.8917 0.0220 -5.2484 3 59.3685165 89502 30327 225 26 224 a-Alanine, conf. I
129862.8917 0.0220 -4.6684 3 59.3685165 89502 30327 325 26 224 a-Alanine, conf. I
129871.2221 1.1219 -5.3249 3 474.9201399 89502 303663135 663036 a-Alanine, conf. I
129872.3340 1.1213 -5.3249 3 474.9201399 89502 303663136 663037 a-Alanine, conf. I
129947.1620 0.3902 -5.3577 3 198.5173291 89502 30348 543 48 444 a-Alanine, conf. I
129947.1620 0.3902 -6.5570 3 198.5173291 89502 30348 543 48 544 a-Alanine, conf. I
129947.1620 0.3902 -6.5570 3 198.5173291 89502 30348 643 48 444 a-Alanine, conf. I
129947.1620 0.3902 -5.3577 3 198.5173291 89502 30348 643 48 544 a-Alanine, conf. I
129957.4802 1.6933 -5.4357 3 556.6838435 89502 303723240 723141 a-Alanine, conf. I
129966.2335 3.4567 -5.6714 3 709.9061495 89502 303823448 823349 a-Alanine, conf. I
129973.2571 1.6820 -5.4356 3 556.6832435 89502 303723241 723142 a-Alanine, conf. I
129978.2541 8.2384 -6.0357 3 923.2271573 89502 303953363 953264 a-Alanine, conf. I
129980.2764 1.3275 -6.5779 3 400.1436387 89502 303641648 641649 a-Alanine, conf. I
129980.2815 1.3275 -5.2744 3 400.1436387 89502 303641648 641549 a-Alanine, conf. I
129980.3432 1.3275 -5.2744 3 400.1436387 89502 303641748 641649 a-Alanine, conf. I
129980.3483 1.3275 -6.5779 3 400.1436387 89502 303641748 641549 a-Alanine, conf. I
129998.2256 0.0743 -5.3727 3 54.2878141 89502 303231013 221012 a-Alanine, conf. I
130014.5223 0.7555 -6.6799 3 465.7376363 89502 303604218 594317 a-Alanine, conf. I
130014.5223 0.7555 -6.6799 3 465.7376363 89502 303604219 594316 a-Alanine, conf. I
130097.3189 0.0037 -6.0341 3 25.9898 87 89502 3031412 2 1311 2 a-Alanine, conf. I
130097.3189 0.0037 -4.9026 3 25.9898 87 89502 3031412 3 1311 2 a-Alanine, conf. I
130097.3192 0.0037 -4.9026 3 25.9898 87 89502 3031412 2 1311 3 a-Alanine, conf. I
130097.3192 0.0037 -6.0341 3 25.9898 87 89502 3031412 3 1311 3 a-Alanine, conf. I
130122.9367 0.0406 -6.1479 3 29.7993111 89502 30318 513 17 413 a-Alanine, conf. I
130125.6948 0.0572 -5.0827 3 55.8917147 89502 30324 717 23 816 a-Alanine, conf. I
130148.6558 0.4941 -5.6431 3 106.3404195 89502 303321319 311418 a-Alanine, conf. I
130208.5673 0.0216 -4.8495 3 57.1017153 89502 30325 520 24 619 a-Alanine, conf. I
130215.7886 0.0216 -5.2996 3 57.1017153 89502 30325 620 24 619 a-Alanine, conf. I
130217.0043 0.2521 -5.1591 3 266.6226285 89502 303472918 472819 a-Alanine, conf. I
130217.0043 0.2521 -6.5504 3 266.6226285 89502 303472918 472820 a-Alanine, conf. I
130217.0043 0.2521 -6.5504 3 266.6226285 89502 303472919 472819 a-Alanine, conf. I
130217.0043 0.2521 -5.1591 3 266.6226285 89502 303472919 472820 a-Alanine, conf. I
130217.9172 0.5598 -5.9362 3 144.9327261 89502 30343 142 43 043 a-Alanine, conf. I
130217.9172 0.5598 -5.9362 3 144.9327261 89502 30343 242 43 143 a-Alanine, conf. I
130225.9708 0.0217 -5.2995 3 57.1011153 89502 30325 520 24 519 a-Alanine, conf. I
130233.1920 0.0217 -4.8494 3 57.1011153 89502 30325 620 24 519 a-Alanine, conf. I
130238.5127 0.6310 -6.6575 3 378.1272351 89502 303583029 582929 a-Alanine, conf. I
130238.5133 0.6310 -5.2153 3 378.1272351 89502 303583028 582929 a-Alanine, conf. I
130238.5213 0.6310 -5.2153 3 378.1272351 89502 303583029 582930 a-Alanine, conf. I
130238.5219 0.6310 -6.6575 3 378.1272351 89502 303583028 582930 a-Alanine, conf. I
130238.9587 0.1843 -5.6606 3 112.3549201 89502 303331321 321418 a-Alanine, conf. I
130319.9411 0.0508 -6.0125 3 34.9917117 89502 30319 712 18 612 a-Alanine, conf. I
130330.6634 3.1239 -5.6690 3 709.8919495 89502 303823449 823350 a-Alanine, conf. I
130367.6948 0.5746 -6.2878 3 331.3155315 89502 303523319 513418 a-Alanine, conf. I
130367.6948 0.5746 -6.2878 3 331.3155315 89502 303523320 513417 a-Alanine, conf. I
130399.1028 2.3766 -5.5442 3 630.8609465 89502 303773344 773245 a-Alanine, conf. I
130423.7928 0.5170 -5.2280 3 280.5239333 89502 303551045 55 946 a-Alanine, conf. I
130423.7928 0.5170 -6.4709 3 280.5239333 89502 303551045 551046 a-Alanine, conf. I
130423.7929 0.5170 -6.4709 3 280.5239333 89502 303551145 55 946 a-Alanine, conf. I
130423.7929 0.5170 -5.2280 3 280.5239333 89502 303551145 551046 a-Alanine, conf. I
130481.1006 2.3098 -5.5437 3 630.8578465 89502 303773345 773246 a-Alanine, conf. I
130489.1590 4.7147 -5.9274 3 865.2328549 89502 303913656 913557 a-Alanine, conf. I
130544.6175 0.9894 -6.5245 3 358.2917369 89502 303611447 611448 a-Alanine, conf. I
130544.6178 0.9894 -5.2427 3 358.2917369 89502 303611447 611348 a-Alanine, conf. I
130544.6223 0.9894 -5.2427 3 358.2917369 89502 303611547 611448 a-Alanine, conf. I
130544.6227 0.9894 -6.5245 3 358.2917369 89502 303611547 611348 a-Alanine, conf. I
130549.9750 0.0478 -6.4256 3 91.4665147 89502 3032423 1 2323 0 a-Alanine, conf. I
130549.9750 0.0478 -6.4256 3 91.4665147 89502 3032423 2 2323 1 a-Alanine, conf. I
130557.4300 0.2276 -5.1608 3 258.0108279 89502 303462917 462818 a-Alanine, conf. I
130557.4300 0.2276 -6.5473 3 258.0108279 89502 303462917 462819 a-Alanine, conf. I
130557.4300 0.2276 -6.5473 3 258.0108279 89502 303462918 462818 a-Alanine, conf. I
130557.4300 0.2276 -5.1608 3 258.0108279 89502 303462918 462819 a-Alanine, conf. I
130561.6081 0.0139 -6.1750 3 17.7325 87 89502 30314 6 9 13 310 a-Alanine, conf. I
130591.5950 4.9091 -6.2260 3 1036.2175603 89502 303A03863 A03764 a-Alanine, conf. I
130605.5611 17.3520 -6.2492 3 1042.1572609 89502 303A13467 A13368 a-Alanine, conf. I
130621.1680 8.6117 -6.0287 3 922.0300567 89502 303943757 943658 a-Alanine, conf. I
130622.5939 0.0708 -5.2253 3 43.2160129 89502 30321 814 20 713 a-Alanine, conf. I
130637.3197 0.0412 -6.1260 3 87.9473147 89502 3032422 2 2322 1 a-Alanine, conf. I
130637.3197 0.0412 -6.1260 3 87.9473147 89502 3032422 3 2322 2 a-Alanine, conf. I
130641.7932 0.7894 -6.7198 3 483.3892369 89502 303614318 604417 a-Alanine, conf. I
130641.7932 0.7894 -6.7198 3 483.3892369 89502 303614319 604416 a-Alanine, conf. I
130673.1694 12.6074 -6.0688 3 941.0173579 89502 303963264 963165 a-Alanine, conf. I
130674.1293 0.7193 -5.2263 3 318.4114351 89502 303581246 581147 a-Alanine, conf. I
130674.1293 0.7193 -6.4880 3 318.4114351 89502 303581246 581247 a-Alanine, conf. I
130674.1295 0.7193 -5.2263 3 318.4114351 89502 303581346 581247 a-Alanine, conf. I
130674.1296 0.7193 -6.4880 3 318.4114351 89502 303581346 581147 a-Alanine, conf. I
130679.6776 0.4011 -5.7817 3 166.5613237 89502 303391921 382018 a-Alanine, conf. I
130685.6972 0.4019 -5.7816 3 166.5613237 89502 303391920 382019 a-Alanine, conf. I
130694.1855 2.2939 -5.3815 3 502.3999429 89502 303712051 711952 a-Alanine, conf. I
130697.3655 2.2919 -5.3815 3 502.3999429 89502 303712151 712052 a-Alanine, conf. I
130700.1935 0.3913 -5.7519 3 156.6606231 89502 303381821 371918 a-Alanine, conf. I
130715.0386 7.8337 -5.9646 3 883.6541561 89502 303933262 933163 a-Alanine, conf. I
130725.9113 0.3944 -5.7518 3 156.6606231 89502 303381820 371919 a-Alanine, conf. I
130738.1685 0.0355 -5.9518 3 84.5876147 89502 3032421 3 2321 2 a-Alanine, conf. I
130738.1685 0.0355 -5.9518 3 84.5876147 89502 3032421 4 2321 3 a-Alanine, conf. I
130743.7587 1.3494 -6.1694 3 153.1982237 89502 303391327 381424 a-Alanine, conf. I
130767.0589 4.5872 -5.7789 3 777.4916519 89502 303863551 863452 a-Alanine, conf. I
130772.6612 0.4121 -5.8116 3 176.8035243 89502 303402021 392118 a-Alanine, conf. I
130773.9972 0.4123 -5.8116 3 176.8035243 89502 303402020 392119 a-Alanine, conf. I
130802.5440 0.0040 -4.9528 3 26.9142 93 89502 3031511 5 1410 4 a-Alanine, conf. I
130802.5574 0.0040 -6.0451 3 26.9142 93 89502 3031511 4 1410 4 a-Alanine, conf. I
130802.6368 0.0040 -6.0451 3 26.9142 93 89502 3031511 5 1410 5 a-Alanine, conf. I
130802.6501 0.0040 -4.9528 3 26.9142 93 89502 3031511 4 1410 5 a-Alanine, conf. I
130812.0386 1.0346 -5.3058 3 462.6769393 89502 303653134 653035 a-Alanine, conf. I
130812.5088 1.0343 -5.3058 3 462.6769393 89502 303653135 653036 a-Alanine, conf. I
130855.3874 0.0308 -5.8292 3 81.3878147 89502 3032420 4 2320 3 a-Alanine, conf. I
130855.3874 0.0308 -5.8292 3 81.3878147 89502 3032420 5 2320 4 a-Alanine, conf. I
130856.4090 0.3817 -5.7225 3 147.1027225 89502 303371721 361818 a-Alanine, conf. I
130857.6901 0.0617 -5.4894 3 27.8082105 89502 30317 710 16 611 a-Alanine, conf. I
130872.7502 0.5816 -6.6397 3 367.4250345 89502 303573028 572928 a-Alanine, conf. I
130872.7504 0.5816 -5.2038 3 367.4250345 89502 303573027 572928 a-Alanine, conf. I
130872.7533 0.5816 -5.2038 3 367.4250345 89502 303573028 572929 a-Alanine, conf. I
130872.7535 0.5816 -6.6397 3 367.4250345 89502 303573027 572929 a-Alanine, conf. I
130874.2913 0.2049 -5.1642 3 249.5883273 89502 303452916 452817 a-Alanine, conf. I
130874.2913 0.2049 -6.5461 3 249.5883273 89502 303452916 452818 a-Alanine, conf. I
130874.2913 0.2049 -6.5461 3 249.5883273 89502 303452917 452817 a-Alanine, conf. I
130874.2913 0.2049 -5.1642 3 249.5883273 89502 303452917 452818 a-Alanine, conf. I
130882.8735 0.4332 -5.4218 3 186.4529285 89502 30347 443 47 344 a-Alanine, conf. I
130882.8735 0.4332 -6.6128 3 186.4529285 89502 30347 443 47 444 a-Alanine, conf. I
130882.8735 0.4332 -6.6128 3 186.4529285 89502 30347 543 47 344 a-Alanine, conf. I
130882.8735 0.4332 -5.4218 3 186.4529285 89502 30347 543 47 444 a-Alanine, conf. I
130920.5269 7.7786 -5.8371 3 806.9224537 89502 303892960 892861 a-Alanine, conf. I
130938.8322 1.6562 -6.4422 3 1157.3434639 89502 303A63968 A63869 a-Alanine, conf. I
130946.7489 0.5958 -6.3230 3 346.1170321 89502 303533419 523518 a-Alanine, conf. I
130946.7489 0.5958 -6.3230 3 346.1170321 89502 303533420 523517 a-Alanine, conf. I
130952.3324 0.1352 -6.6669 3 78.2621171 89502 30328 919 271017 a-Alanine, conf. I
130955.9443 0.4243 -5.8417 3 187.3865249 89502 303412121 402218 a-Alanine, conf. I
130956.2271 0.4243 -5.8417 3 187.3865249 89502 303412120 402219 a-Alanine, conf. I
130959.8141 0.3927 -5.7218 3 147.1026225 89502 303371720 361819 a-Alanine, conf. I
130984.8598 0.3795 -5.2758 3 231.6688309 89502 30351 744 51 645 a-Alanine, conf. I
130984.8598 0.3795 -6.4915 3 231.6688309 89502 30351 744 51 745 a-Alanine, conf. I
130984.8598 0.3795 -6.4915 3 231.6688309 89502 30351 844 51 645 a-Alanine, conf. I
130984.8598 0.3795 -5.2758 3 231.6688309 89502 30351 844 51 745 a-Alanine, conf. I
130992.6869 0.0275 -5.7350 3 78.3487147 89502 3032419 5 2319 4 a-Alanine, conf. I
130992.6869 0.0275 -5.7350 3 78.3487147 89502 3032419 6 2319 5 a-Alanine, conf. I
131038.1170 6.2185 -5.8978 3 848.1993543 89502 303903654 903555 a-Alanine, conf. I
131145.2743 0.3688 -5.6940 3 137.8890219 89502 303361621 351718 a-Alanine, conf. I
131154.9588 0.0260 -5.6590 3 75.4710147 89502 3032418 6 2318 5 a-Alanine, conf. I
131154.9588 0.0260 -5.6590 3 75.4710147 89502 3032418 7 2318 6 a-Alanine, conf. I
131168.9596 0.1839 -5.1696 3 241.3544267 89502 303442915 442816 a-Alanine, conf. I
131168.9596 0.1839 -6.5469 3 241.3544267 89502 303442915 442817 a-Alanine, conf. I
131168.9596 0.1839 -6.5469 3 241.3544267 89502 303442916 442816 a-Alanine, conf. I
131168.9596 0.1839 -5.1696 3 241.3544267 89502 303442916 442817 a-Alanine, conf. I
131171.4369 1.5396 -6.6096 3 427.6501399 89502 303661749 661750 a-Alanine, conf. I
131171.4496 1.5396 -5.2967 3 427.6501399 89502 303661749 661650 a-Alanine, conf. I
131171.5919 1.5395 -5.2967 3 427.6501399 89502 303661849 661750 a-Alanine, conf. I
131171.6045 1.5395 -6.6096 3 427.6501399 89502 303661849 661650 a-Alanine, conf. I
131182.4333 1.5522 -5.4112 3 543.2783429 89502 303713239 713140 a-Alanine, conf. I
131189.7039 1.5470 -5.4112 3 543.2780429 89502 303713240 713141 a-Alanine, conf. I
131207.3009 2.8085 -6.4046 3 1137.4101633 89502 303A53967 A53868 a-Alanine, conf. I
131210.7974 0.4376 -5.8721 3 198.3095255 89502 303422221 412318 a-Alanine, conf. I
131210.8547 0.4376 -5.8721 3 198.3095255 89502 303422220 412319 a-Alanine, conf. I
131214.2382 0.0259 -6.0870 3 30.9243111 89502 30318 712 17 612 a-Alanine, conf. I
131247.4348 0.2589 -6.0313 3 159.3770237 89502 303391623 391326 a-Alanine, conf. I
131297.4249 0.0300 -5.2181 3 61.1367171 89502 30328 127 27 126 a-Alanine, conf. I
131297.4249 0.0300 -4.6104 3 61.1367171 89502 30328 127 27 226 a-Alanine, conf. I
131297.4249 0.0300 -4.6104 3 61.1367171 89502 30328 227 27 126 a-Alanine, conf. I
131297.4249 0.0300 -5.2181 3 61.1367171 89502 30328 227 27 226 a-Alanine, conf. I
131309.1246 26.6919 -6.5575 3 1213.3376657 89502 303A93772 A93673 a-Alanine, conf. I
131348.7967 0.0264 -5.5956 3 72.7560147 89502 3032417 7 2317 6 a-Alanine, conf. I
131348.7967 0.0264 -5.5956 3 72.7560147 89502 3032417 8 2317 7 a-Alanine, conf. I
131375.6317 2.8169 -6.4769 3 1177.4471645 89502 303A73969 A73870 a-Alanine, conf. I
131376.6841 5.2675 -6.0519 3 939.7738573 89502 303953759 953660 a-Alanine, conf. I
131401.3032 0.0052 -5.0135 3 28.2097 99 89502 3031610 7 15 9 6 a-Alanine, conf. I
131403.1649 0.0052 -6.0514 3 28.2097 99 89502 3031610 6 15 9 6 a-Alanine, conf. I
131410.8704 2.6169 -5.4179 3 532.8973441 89502 303732152 732053 a-Alanine, conf. I
131411.6465 0.0052 -6.0514 3 28.2094 99 89502 3031610 7 15 9 7 a-Alanine, conf. I
131413.5082 0.0052 -5.0135 3 28.2094 99 89502 3031610 6 15 9 7 a-Alanine, conf. I
131417.4399 2.6125 -5.4178 3 532.8973441 89502 303732252 732153 a-Alanine, conf. I
131418.8102 7.2813 -5.8959 3 844.8869549 89502 303913161 913062 a-Alanine, conf. I
131429.7922 0.0064 -5.0998 3 29.9123105 89502 30317 9 9 16 8 8 a-Alanine, conf. I
131442.7174 0.1647 -5.1769 3 233.3090261 89502 303432914 432815 a-Alanine, conf. I
131442.7174 0.1647 -6.5499 3 233.3090261 89502 303432914 432816 a-Alanine, conf. I
131442.7174 0.1647 -6.5499 3 233.3090261 89502 303432915 432815 a-Alanine, conf. I
131442.7174 0.1647 -5.1769 3 233.3090261 89502 303432915 432816 a-Alanine, conf. I
131456.1486 0.2881 -5.6514 3 120.5074207 89502 303341421 331518 a-Alanine, conf. I
131465.6449 0.3433 -5.6682 3 129.0223213 89502 303351521 341618 a-Alanine, conf. I
131466.1642 0.5357 -6.6232 3 356.9164339 89502 303563027 562927 a-Alanine, conf. I
131466.1643 0.5357 -5.1934 3 356.9164339 89502 303563026 562927 a-Alanine, conf. I
131466.1653 0.5357 -5.1934 3 356.9164339 89502 303563027 562928 a-Alanine, conf. I
131466.1654 0.5357 -6.6232 3 356.9164339 89502 303563026 562928 a-Alanine, conf. I
131487.0730 8.3455 -6.3543 3 1108.9811627 89502 303A43768 A43669 a-Alanine, conf. I
131522.9704 0.4518 -5.9028 3 209.5722261 89502 303432321 422418 a-Alanine, conf. I
131522.9816 0.4519 -5.9028 3 209.5722261 89502 303432320 422419 a-Alanine, conf. I
131530.8416 3.8192 -5.7739 3 777.4613519 89502 303863552 863453 a-Alanine, conf. I
131532.4572 0.4040 -5.6911 3 137.8885219 89502 303361620 351719 a-Alanine, conf. I
131532.5706 0.6181 -6.3587 3 361.2554327 89502 303543519 533618 a-Alanine, conf. I
131532.5706 0.6181 -6.3587 3 361.2554327 89502 303543520 533617 a-Alanine, conf. I
131534.6034 0.0063 -6.0536 3 29.9123105 89502 30317 9 8 16 8 8 a-Alanine, conf. I
131554.0991 0.0219 -4.7628 3 59.5021159 89502 30326 422 25 521 a-Alanine, conf. I
131554.2449 0.0219 -5.2704 3 59.5021159 89502 30326 522 25 521 a-Alanine, conf. I
131554.4816 0.0219 -5.2704 3 59.5020159 89502 30326 422 25 421 a-Alanine, conf. I
131554.6274 0.0219 -4.7628 3 59.5020159 89502 30326 522 25 421 a-Alanine, conf. I
131569.0636 0.0724 -5.1732 3 47.2608135 89502 30322 815 21 714 a-Alanine, conf. I
131571.2403 0.0276 -6.1400 3 29.8141111 89502 30318 613 17 513 a-Alanine, conf. I
131583.3346 0.0286 -5.5415 3 70.2052147 89502 3032416 9 2316 8 a-Alanine, conf. I
131583.3350 0.0286 -5.5415 3 70.2052147 89502 3032416 8 2316 7 a-Alanine, conf. I
131604.6320 0.4734 -5.5657 3 85.9163177 89502 303291118 281217 a-Alanine, conf. I
131624.5809 2.1109 -6.5880 3 293.0911327 89502 303541638 531935 a-Alanine, conf. I
131690.4689 0.9552 -5.2878 3 450.6316387 89502 303643133 643034 a-Alanine, conf. I
131690.6630 0.9551 -5.2878 3 450.6316387 89502 303643134 643035 a-Alanine, conf. I
131696.7673 0.1474 -5.1866 3 225.4515255 89502 303422913 422814 a-Alanine, conf. I
131696.7673 0.1474 -6.5553 3 225.4515255 89502 303422913 422815 a-Alanine, conf. I
131696.7673 0.1474 -6.5553 3 225.4515255 89502 303422914 422814 a-Alanine, conf. I
131696.7673 0.1474 -5.1866 3 225.4515255 89502 303422914 422815 a-Alanine, conf. I
131704.3159 7.0205 -6.4319 3 1152.9502639 89502 303A63869 A63770 a-Alanine, conf. I
131736.3878 0.4545 -5.2363 3 266.8600327 89502 30354 945 54 846 a-Alanine, conf. I
131736.3878 0.4545 -6.4691 3 266.8600327 89502 30354 945 54 946 a-Alanine, conf. I
131736.3878 0.4545 -6.4691 3 266.8600327 89502 303541045 54 846 a-Alanine, conf. I
131736.3878 0.4545 -5.2363 3 266.8600327 89502 303541045 54 946 a-Alanine, conf. I
131755.8973 9.0989 -6.2764 3 1065.8045615 89502 303A23667 A23568 a-Alanine, conf. I
131755.9545 0.4851 -5.5147 3 174.6132279 89502 30346 343 46 244 a-Alanine, conf. I
131755.9545 0.4851 -6.6977 3 174.6132279 89502 30346 343 46 344 a-Alanine, conf. I
131755.9545 0.4851 -6.6977 3 174.6132279 89502 30346 443 46 244 a-Alanine, conf. I
131755.9545 0.4851 -5.5147 3 174.6132279 89502 30346 443 46 344 a-Alanine, conf. I
131868.9830 0.0072 -6.0520 3 29.8977105 89502 30317 9 9 16 8 9 a-Alanine, conf. I
131871.6733 0.0323 -5.4945 3 67.8206147 89502 303241510 2315 9 a-Alanine, conf. I
131871.6850 0.0323 -5.4945 3 67.8206147 89502 3032415 9 2315 8 a-Alanine, conf. I
131874.8167 3.0572 -5.6373 3 694.5511489 89502 303813447 813348 a-Alanine, conf. I
131876.8224 6.6288 -5.7709 3 769.7824525 89502 303872859 872760 a-Alanine, conf. I
131881.6657 0.4669 -5.9338 3 221.1739267 89502 303442421 432518 a-Alanine, conf. I
131881.6678 0.4669 -5.9338 3 221.1739267 89502 303442420 432519 a-Alanine, conf. I
131902.7904 2.1546 -5.5153 3 616.4854459 89502 303763343 763244 a-Alanine, conf. I
131932.2399 0.1322 -5.1988 3 217.7815249 89502 303412912 412813 a-Alanine, conf. I
131932.2399 0.1322 -6.5634 3 217.7815249 89502 303412912 412814 a-Alanine, conf. I
131932.2399 0.1322 -6.5634 3 217.7815249 89502 303412913 412813 a-Alanine, conf. I
131932.2399 0.1322 -5.1988 3 217.7815249 89502 303412913 412814 a-Alanine, conf. I
131942.8693 2.1223 -5.5150 3 616.4839459 89502 303763344 763245 a-Alanine, conf. I
131943.4787 1.1620 -6.5483 3 384.4893381 89502 303631548 631549 a-Alanine, conf. I
131943.4795 1.1620 -5.2576 3 384.4893381 89502 303631548 631449 a-Alanine, conf. I
131943.4907 1.1620 -5.2576 3 384.4893381 89502 303631648 631549 a-Alanine, conf. I
131943.4916 1.1620 -6.5483 3 384.4893381 89502 303631648 631449 a-Alanine, conf. I
131971.3436 0.0252 -5.3165 3 55.8917147 89502 30324 817 23 816 a-Alanine, conf. I
131973.7942 0.0081 -5.0974 3 29.8977105 89502 30317 9 8 16 8 9 a-Alanine, conf. I
131998.3046 2.9783 -5.4577 3 564.2370453 89502 303752253 752154 a-Alanine, conf. I
132011.6089 2.9688 -5.4576 3 564.2370453 89502 303752353 752254 a-Alanine, conf. I
132021.4925 0.4930 -6.6081 3 346.6010333 89502 303553026 552926 a-Alanine, conf. I
132021.4926 0.4930 -5.1841 3 346.6010333 89502 303553025 552926 a-Alanine, conf. I
132021.4929 0.4930 -6.6081 3 346.6010333 89502 303553025 552927 a-Alanine, conf. I
132021.4929 0.4930 -5.1841 3 346.6010333 89502 303553026 552927 a-Alanine, conf. I
132026.4834 6.6589 -5.8299 3 806.9296537 89502 303893060 892961 a-Alanine, conf. I
132031.1757 0.2720 -5.3719 3 67.7120159 89502 30326 917 251016 a-Alanine, conf. I
132056.6851 0.3906 -5.3081 3 218.9071303 89502 30350 644 50 545 a-Alanine, conf. I
132056.6851 0.3906 -6.5150 3 218.9071303 89502 30350 644 50 645 a-Alanine, conf. I
132056.6851 0.3906 -6.5150 3 218.9071303 89502 30350 744 50 545 a-Alanine, conf. I
132056.6851 0.3906 -5.3081 3 218.9071303 89502 30350 744 50 645 a-Alanine, conf. I
132063.5240 2.8855 -5.6361 3 694.5438489 89502 303813448 813349 a-Alanine, conf. I
132091.4845 13.5458 -6.2670 3 1059.7587609 89502 303A13962 A13863 a-Alanine, conf. I
132098.3333 4.2967 -6.3643 3 1117.6557627 89502 303A43966 A43867 a-Alanine, conf. I
132124.2862 0.6414 -6.3950 3 376.7307333 89502 303553619 543718 a-Alanine, conf. I
132124.2862 0.6414 -6.3950 3 376.7307333 89502 303553620 543717 a-Alanine, conf. I
132134.6107 0.7263 -6.2841 3 122.4643207 89502 303341519 341222 a-Alanine, conf. I
132150.2010 0.1193 -5.2138 3 210.2988243 89502 303402911 402812 a-Alanine, conf. I
132150.2010 0.1193 -6.5745 3 210.2988243 89502 303402911 402813 a-Alanine, conf. I
132150.2010 0.1193 -6.5745 3 210.2988243 89502 303402912 402812 a-Alanine, conf. I
132150.2010 0.1193 -5.2138 3 210.2988243 89502 303402912 402813 a-Alanine, conf. I
132172.4773 0.6186 -5.2243 3 304.0732345 89502 303571146 571047 a-Alanine, conf. I
132172.4773 0.6186 -6.4753 3 304.0732345 89502 303571146 571147 a-Alanine, conf. I
132172.4773 0.6186 -6.4753 3 304.0732345 89502 303571246 571047 a-Alanine, conf. I
132172.4773 0.6186 -5.2243 3 304.0732345 89502 303571246 571147 a-Alanine, conf. I
132233.4261 0.0371 -5.4530 3 65.6052147 89502 303241411 231410 a-Alanine, conf. I
132233.6655 0.0371 -5.4530 3 65.6052147 89502 303241410 2314 9 a-Alanine, conf. I
132256.8919 0.8566 -5.2327 3 343.2897363 89502 303601347 601248 a-Alanine, conf. I
132256.8919 0.8566 -6.5028 3 343.2897363 89502 303601347 601348 a-Alanine, conf. I
132256.8927 0.8566 -6.5028 3 343.2897363 89502 303601447 601248 a-Alanine, conf. I
132256.8927 0.8566 -5.2327 3 343.2897363 89502 303601447 601348 a-Alanine, conf. I
132258.0567 0.2278 -6.6490 3 79.2942171 89502 303281018 271116 a-Alanine, conf. I
132264.4523 1.7753 -6.6453 3 456.0102411 89502 303681850 681851 a-Alanine, conf. I
132264.4827 1.7753 -5.3228 3 456.0102411 89502 303681850 681751 a-Alanine, conf. I
132264.8025 1.7751 -5.3228 3 456.0102411 89502 303681950 681851 a-Alanine, conf. I
132264.8328 1.7751 -6.6453 3 456.0102411 89502 303681950 681751 a-Alanine, conf. I
132278.5971 0.4827 -5.9652 3 233.1145273 89502 303452521 442618 a-Alanine, conf. I
132278.5975 0.4827 -5.9652 3 233.1145273 89502 303452520 442619 a-Alanine, conf. I
132319.4051 0.0185 -6.2736 3 16.7757 87 89502 30314 510 13 211 a-Alanine, conf. I
132319.6488 1.4276 -5.3880 3 530.0744423 89502 303703238 703139 a-Alanine, conf. I
132322.9246 1.4253 -5.3880 3 530.0743423 89502 303703239 703140 a-Alanine, conf. I
132335.4924 5.5621 -6.1837 3 1017.3975597 89502 303993862 993763 a-Alanine, conf. I
132351.6572 0.1091 -5.2322 3 203.0030237 89502 303392910 392811 a-Alanine, conf. I
132351.6572 0.1091 -6.5890 3 203.0030237 89502 303392910 392812 a-Alanine, conf. I
132351.6572 0.1091 -6.5890 3 203.0030237 89502 303392911 392811 a-Alanine, conf. I
132351.6572 0.1091 -5.2322 3 203.0030237 89502 303392911 392812 a-Alanine, conf. I
132354.7917 9.3435 -6.1988 3 1023.4210603 89502 303A03566 A03467 a-Alanine, conf. I
132445.6156 3.3845 -5.5010 3 596.4160465 89502 303772354 772255 a-Alanine, conf. I
132446.9550 2.0693 -6.3108 3 186.0001261 89502 303431430 421527 a-Alanine, conf. I
132472.0496 3.3645 -5.5008 3 596.4161465 89502 303772454 772355 a-Alanine, conf. I
132472.4075 5.7243 -5.7093 3 733.4588513 89502 303852758 852659 a-Alanine, conf. I
132498.9456 6.0214 -5.7669 3 769.7861525 89502 303872959 872860 a-Alanine, conf. I
132511.7044 0.8827 -5.2709 3 438.7833381 89502 303633132 633033 a-Alanine, conf. I
132511.7826 0.8826 -5.2709 3 438.7833381 89502 303633133 633034 a-Alanine, conf. I
132537.5615 0.1018 -5.2545 3 195.8937231 89502 3033829 9 382810 a-Alanine, conf. I
132537.5615 0.1018 -6.6075 3 195.8937231 89502 3033829 9 382811 a-Alanine, conf. I
132537.5615 0.1018 -6.6075 3 195.8937231 89502 303382910 382810 a-Alanine, conf. I
132537.5615 0.1018 -5.2545 3 195.8937231 89502 303382910 382811 a-Alanine, conf. I
132541.2133 0.4531 -5.1760 3 336.4782327 89502 303543024 542925 a-Alanine, conf. I
132541.2133 0.4531 -6.5943 3 336.4782327 89502 303543025 542925 a-Alanine, conf. I
132541.2134 0.4531 -6.5943 3 336.4782327 89502 303543024 542926 a-Alanine, conf. I
132541.2134 0.4531 -5.1760 3 336.4782327 89502 303543025 542926 a-Alanine, conf. I
132546.8000 0.5719 -6.5146 3 96.1425183 89502 303301416 301119 a-Alanine, conf. I
132550.1912 4.5627 -5.8879 3 848.1385543 89502 303903655 903556 a-Alanine, conf. I
132553.3235 5.1524 -6.5083 3 1197.7131651 89502 303A83970 A83871 a-Alanine, conf. I
132570.8599 0.5421 -5.6594 3 163.0002273 89502 30345 243 45 144 a-Alanine, conf. I
132570.8599 0.5421 -5.6594 3 163.0002273 89502 30345 343 45 244 a-Alanine, conf. I
132582.3613 20.6598 -6.5341 3 1206.9736651 89502 303A84167 A84068 a-Alanine, conf. I
132698.7655 0.0430 -5.4159 3 63.5636147 89502 303241312 231311 a-Alanine, conf. I
132702.5927 0.0432 -5.4159 3 63.5636147 89502 303241311 231310 a-Alanine, conf. I
132707.3016 0.4991 -5.9970 3 245.3935279 89502 303462621 452718 a-Alanine, conf. I
132707.3017 0.4991 -5.9970 3 245.3935279 89502 303462620 452719 a-Alanine, conf. I
132708.8173 0.0975 -5.2814 3 188.9706225 89502 3033729 8 3728 9 a-Alanine, conf. I
132708.8173 0.0975 -6.6308 3 188.9706225 89502 3033729 8 372810 a-Alanine, conf. I
132708.8173 0.0975 -6.6308 3 188.9706225 89502 3033729 9 3728 9 a-Alanine, conf. I
132708.8173 0.0975 -5.2814 3 188.9706225 89502 3033729 9 372810 a-Alanine, conf. I
132721.1362 0.6658 -6.4318 3 392.5426339 89502 303563719 553818 a-Alanine, conf. I
132721.1362 0.6658 -6.4318 3 392.5426339 89502 303563720 553817 a-Alanine, conf. I
132730.1976 0.0457 -5.1884 3 62.7223177 89502 30329 029 28 028 a-Alanine, conf. I
132730.1976 0.0457 -4.5581 3 62.7223177 89502 30329 029 28 128 a-Alanine, conf. I
132730.1976 0.0457 -4.5581 3 62.7223177 89502 30329 129 28 028 a-Alanine, conf. I
132730.1976 0.0457 -5.1884 3 62.7223177 89502 30329 129 28 128 a-Alanine, conf. I
132731.6183 0.0232 -6.2119 3 28.5636111 89502 30318 414 17 314 a-Alanine, conf. I
132738.8932 3.8449 -5.5477 3 629.4312477 89502 303792455 792356 a-Alanine, conf. I
132739.7696 0.4836 -6.0070 3 166.9482243 89502 303401624 401327 a-Alanine, conf. I
132782.8000 4.9888 -5.6518 3 697.9563501 89502 303832657 832558 a-Alanine, conf. I
132790.4509 3.8035 -5.5474 3 629.4314477 89502 303792555 792456 a-Alanine, conf. I
132793.6754 0.4445 -5.6580 3 129.0200213 89502 303351520 341619 a-Alanine, conf. I
132807.9403 2.7235 -6.4297 3 221.9386285 89502 303471533 461630 a-Alanine, conf. I
132815.5511 5.4031 -5.7071 3 733.4607513 89502 303852858 852759 a-Alanine, conf. I
132848.3285 10.3758 -5.9878 3 901.0409567 89502 303943163 943064 a-Alanine, conf. I
132859.7122 4.3728 -5.5979 3 663.2791489 89502 303812556 812457 a-Alanine, conf. I
132866.2834 0.0964 -5.3139 3 182.2334219 89502 3033629 7 3628 8 a-Alanine, conf. I
132866.2834 0.0964 -6.6597 3 182.2334219 89502 3033629 7 3628 9 a-Alanine, conf. I
132866.2834 0.0964 -6.6597 3 182.2334219 89502 3033629 8 3628 8 a-Alanine, conf. I
132866.2834 0.0964 -5.3139 3 182.2334219 89502 3033629 8 3628 9 a-Alanine, conf. I
132900.7977 0.0215 -6.2109 3 28.5646111 89502 30318 514 17 414 a-Alanine, conf. I
132955.3876 0.0221 -4.6910 3 61.6977165 89502 30327 324 26 423 a-Alanine, conf. I
132955.3895 0.0221 -5.2408 3 61.6977165 89502 30327 424 26 423 a-Alanine, conf. I
132955.3928 0.0221 -5.2408 3 61.6977165 89502 30327 324 26 323 a-Alanine, conf. I
132955.3946 0.0221 -4.6910 3 61.6977165 89502 30327 424 26 323 a-Alanine, conf. I
132958.4630 4.2890 -5.5973 3 663.2796489 89502 303812656 812557 a-Alanine, conf. I
132960.1456 0.4167 -5.2508 3 253.4097321 89502 30353 845 53 746 a-Alanine, conf. I
132960.1456 0.4167 -6.4742 3 253.4097321 89502 30353 845 53 846 a-Alanine, conf. I
132960.1456 0.4167 -6.4742 3 253.4097321 89502 30353 945 53 746 a-Alanine, conf. I
132960.1456 0.4167 -5.2508 3 253.4097321 89502 30353 945 53 846 a-Alanine, conf. I
132968.5624 4.8229 -5.6506 3 697.9573501 89502 303832757 832658 a-Alanine, conf. I
133010.2886 3.9734 -5.7408 3 761.3603513 89502 303853550 853451 a-Alanine, conf. I
133010.7765 0.0981 -5.3535 3 175.6818213 89502 3033529 6 3528 7 a-Alanine, conf. I
133010.7765 0.0981 -6.6959 3 175.6818213 89502 3033529 6 3528 8 a-Alanine, conf. I
133010.7765 0.0981 -6.6959 3 175.6818213 89502 3033529 7 3528 7 a-Alanine, conf. I
133010.7765 0.0981 -5.3535 3 175.6818213 89502 3033529 7 3528 8 a-Alanine, conf. I
133027.5813 0.4159 -5.1691 3 326.5473321 89502 303533023 532924 a-Alanine, conf. I
133027.5813 0.4159 -6.5820 3 326.5473321 89502 303533024 532924 a-Alanine, conf. I
133027.5814 0.4159 -6.5820 3 326.5473321 89502 303533023 532925 a-Alanine, conf. I
133027.5814 0.4159 -5.1691 3 326.5473321 89502 303533024 532925 a-Alanine, conf. I
133028.1446 0.0892 -5.3269 3 53.1237141 89502 30323 914 22 913 a-Alanine, conf. I
133057.4095 0.4224 -5.3535 3 206.3661297 89502 30349 544 49 445 a-Alanine, conf. I
133057.4095 0.4224 -6.5518 3 206.3661297 89502 30349 544 49 545 a-Alanine, conf. I
133057.4095 0.4224 -6.5518 3 206.3661297 89502 30349 644 49 445 a-Alanine, conf. I
133057.4095 0.4224 -5.3535 3 206.3661297 89502 30349 644 49 545 a-Alanine, conf. I
133080.7861 0.0645 -5.1076 3 51.4526141 89502 30323 816 22 715 a-Alanine, conf. I
133137.1625 9.1880 -6.1224 3 981.8326591 89502 303983465 983366 a-Alanine, conf. I
133143.0750 0.1022 -5.4022 3 169.3156207 89502 3033429 5 3428 6 a-Alanine, conf. I
133143.0750 0.1022 -5.4022 3 169.3156207 89502 3033429 6 3428 7 a-Alanine, conf. I
133143.7221 0.5609 -6.4738 3 254.2733303 89502 303501634 491931 a-Alanine, conf. I
133148.7487 0.0166 -6.0451 3 31.9631111 89502 30318 811 17 711 a-Alanine, conf. I
133162.6580 0.5162 -6.0292 3 258.0108285 89502 303472720 462819 a-Alanine, conf. I
133162.6580 0.5162 -6.0292 3 258.0108285 89502 303472721 462818 a-Alanine, conf. I
133254.5846 2.0371 -6.6850 3 485.2213423 89502 303701951 701952 a-Alanine, conf. I
133254.6275 1.3548 -6.5764 3 411.5456393 89502 303651649 651650 a-Alanine, conf. I
133254.6297 1.3548 -5.2767 3 411.5456393 89502 303651649 651550 a-Alanine, conf. I
133254.6555 2.0370 -5.3527 3 485.2213423 89502 303701951 701852 a-Alanine, conf. I
133254.6567 1.3548 -5.2767 3 411.5456393 89502 303651749 651650 a-Alanine, conf. I
133254.6589 1.3548 -6.5764 3 411.5456393 89502 303651749 651550 a-Alanine, conf. I
133255.3575 2.0366 -5.3527 3 485.2213423 89502 303702051 701952 a-Alanine, conf. I
133255.4284 2.0366 -6.6850 3 485.2213423 89502 303702051 701852 a-Alanine, conf. I
133263.9216 0.1081 -5.4633 3 163.1343201 89502 3033329 4 3328 5 a-Alanine, conf. I
133263.9216 0.1081 -5.4633 3 163.1343201 89502 3033329 5 3328 6 a-Alanine, conf. I
133280.2453 0.8161 -5.2551 3 427.1313375 89502 303623131 623032 a-Alanine, conf. I
133280.2760 0.8160 -5.2551 3 427.1313375 89502 303623132 623033 a-Alanine, conf. I
133285.1636 1.9670 -5.4878 3 602.3150453 89502 303753342 753243 a-Alanine, conf. I
133304.3209 1.9518 -5.4877 3 602.3143453 89502 303753343 753244 a-Alanine, conf. I
133306.7665 0.0498 -5.3822 3 61.7023147 89502 303241213 231212 a-Alanine, conf. I
133322.4563 0.6915 -6.4692 3 408.6912345 89502 303573819 563918 a-Alanine, conf. I
133322.4563 0.6915 -6.4692 3 408.6912345 89502 303573820 563917 a-Alanine, conf. I
133331.5809 0.6016 -5.9297 3 151.6157267 89502 30344 143 44 044 a-Alanine, conf. I
133331.5809 0.6016 -5.9297 3 151.6157267 89502 30344 243 44 144 a-Alanine, conf. I
133353.3183 0.0514 -5.3819 3 61.7032147 89502 303241212 231211 a-Alanine, conf. I
133359.8624 0.0234 -4.9034 3 58.7802153 89502 30325 619 24 718 a-Alanine, conf. I
133371.5655 0.1456 -5.1923 3 61.6762153 89502 30325 817 24 916 a-Alanine, conf. I
133374.0256 0.1154 -5.5423 3 157.1378195 89502 3033229 3 3228 4 a-Alanine, conf. I
133374.0256 0.1154 -5.5423 3 157.1378195 89502 3033229 4 3228 5 a-Alanine, conf. I
133378.6360 1.3162 -5.3659 3 517.0708417 89502 303693237 693138 a-Alanine, conf. I
133380.0791 1.3153 -5.3659 3 517.0708417 89502 303693238 693139 a-Alanine, conf. I
133399.6238 3.2061 -6.5238 3 260.9561309 89502 303511636 501733 a-Alanine, conf. I
133406.8452 0.0102 -5.9969 3 35.6513117 89502 30319 811 18 711 a-Alanine, conf. I
133416.2400 0.6409 -6.0988 3 151.9216231 89502 303381622 381325 a-Alanine, conf. I
133419.1047 19.3181 -6.3462 3 1104.2889627 89502 303A43569 A43470 a-Alanine, conf. I
133419.6171 3.5610 -5.7381 3 761.3443513 89502 303853551 853452 a-Alanine, conf. I
133437.4608 9.7390 -6.1170 3 980.4853585 89502 303973859 973760 a-Alanine, conf. I
133450.1087 5.2827 -6.0105 3 921.9144567 89502 303943758 943659 a-Alanine, conf. I
133457.9869 0.0231 -5.2880 3 58.7802153 89502 30325 719 24 718 a-Alanine, conf. I
133474.0651 0.1235 -5.6494 3 151.3258189 89502 3033129 2 3128 3 a-Alanine, conf. I
133474.0651 0.1235 -5.6494 3 151.3258189 89502 3033129 3 3128 4 a-Alanine, conf. I
133482.6576 0.3810 -5.1634 3 316.8079315 89502 303523022 522923 a-Alanine, conf. I
133482.6576 0.3810 -6.5710 3 316.8079315 89502 303523023 522923 a-Alanine, conf. I
133482.6577 0.3810 -6.5710 3 316.8079315 89502 303523022 522924 a-Alanine, conf. I
133482.6577 0.3810 -5.1634 3 316.8079315 89502 303523023 522924 a-Alanine, conf. I
133495.3155 5.4442 -6.3221 3 1098.0884621 89502 303A33965 A33866 a-Alanine, conf. I
133529.6992 29.7121 -6.6690 3 1280.1689675 89502 303B23874 B23775 a-Alanine, conf. I
133547.1362 0.0228 -5.3036 3 55.7775147 89502 30324 717 23 716 a-Alanine, conf. I
133564.6888 0.1323 -5.8078 3 145.6979183 89502 3033029 1 3028 2 a-Alanine, conf. I
133564.6888 0.1323 -5.8078 3 145.6979183 89502 3033029 2 3028 3 a-Alanine, conf. I
133567.4105 0.5361 -5.2270 3 289.9435339 89502 303561046 56 947 a-Alanine, conf. I
133567.4105 0.5361 -6.4677 3 289.9435339 89502 303561046 561047 a-Alanine, conf. I
133567.4105 0.5361 -6.4677 3 289.9435339 89502 303561146 56 947 a-Alanine, conf. I
133567.4105 0.5361 -5.2270 3 289.9435339 89502 303561146 561047 a-Alanine, conf. I
133576.7388 0.0233 -5.2871 3 58.7730153 89502 30325 619 24 618 a-Alanine, conf. I
133590.5086 1.7968 -6.5356 3 283.1266321 89502 303531637 521934 a-Alanine, conf. I
133591.4171 2.7434 -5.6051 3 679.4065483 89502 303803446 803347 a-Alanine, conf. I
133640.5508 0.5339 -6.0618 3 270.9661291 89502 303482820 472919 a-Alanine, conf. I
133640.5508 0.5339 -6.0618 3 270.9661291 89502 303482821 472918 a-Alanine, conf. I
133646.5177 0.1413 -6.0911 3 140.2541177 89502 3032929 0 2928 1 a-Alanine, conf. I
133646.5177 0.1413 -6.0911 3 140.2541177 89502 3032929 1 2928 2 a-Alanine, conf. I
133652.4982 0.0467 -5.3068 3 52.2895141 89502 30323 815 22 814 a-Alanine, conf. I
133674.8634 0.0237 -4.9011 3 58.7730153 89502 30325 719 24 618 a-Alanine, conf. I
133686.9034 2.6571 -5.6045 3 679.4028483 89502 303803447 803348 a-Alanine, conf. I
133730.0616 5.2493 -5.8548 3 831.2865537 89502 303893653 893554 a-Alanine, conf. I
133751.5345 1.8158 -6.5470 3 1222.6186657 89502 303A94070 A93971 a-Alanine, conf. I
133759.6230 1.0123 -6.5227 3 369.0314375 89502 303621448 621449 a-Alanine, conf. I
133759.6231 1.0123 -5.2440 3 369.0314375 89502 303621448 621349 a-Alanine, conf. I
133759.6250 1.0123 -5.2440 3 369.0314375 89502 303621548 621449 a-Alanine, conf. I
133759.6251 1.0123 -6.5227 3 369.0314375 89502 303621548 621349 a-Alanine, conf. I
133790.6322 14.0488 -6.1570 3 1000.1755597 89502 303993366 993267 a-Alanine, conf. I
133847.0116 0.7389 -5.2264 3 328.4905357 89502 303591247 591148 a-Alanine, conf. I
133847.0116 0.7389 -6.4856 3 328.4905357 89502 303591247 591248 a-Alanine, conf. I
133847.0117 0.7389 -6.4856 3 328.4905357 89502 303591347 591148 a-Alanine, conf. I
133847.0117 0.7389 -5.2264 3 328.4905357 89502 303591347 591248 a-Alanine, conf. I
133908.3342 0.3482 -5.1590 3 307.2595309 89502 303513021 512922 a-Alanine, conf. I
133908.3342 0.3482 -6.5615 3 307.2595309 89502 303513021 512923 a-Alanine, conf. I
133908.3342 0.3482 -6.5615 3 307.2595309 89502 303513022 512922 a-Alanine, conf. I
133908.3342 0.3482 -5.1590 3 307.2595309 89502 303513022 512923 a-Alanine, conf. I
133923.0524 7.0792 -5.9800 3 904.3282561 89502 303933756 933657 a-Alanine, conf. I
133927.6627 0.7185 -6.5071 3 425.1763351 89502 303583919 574018 a-Alanine, conf. I
133927.6627 0.7185 -6.5071 3 425.1763351 89502 303583920 574017 a-Alanine, conf. I
133979.4297 8.7539 -6.0478 3 941.0426579 89502 303963364 963265 a-Alanine, conf. I
133992.3797 0.4685 -5.4173 3 194.0478291 89502 30348 444 48 345 a-Alanine, conf. I
133992.3797 0.4685 -6.6074 3 194.0478291 89502 30348 444 48 445 a-Alanine, conf. I
133992.3797 0.4685 -6.6074 3 194.0478291 89502 30348 544 48 345 a-Alanine, conf. I
133992.3797 0.4685 -5.4173 3 194.0478291 89502 30348 544 48 445 a-Alanine, conf. I
134000.0402 0.7546 -6.6885 3 415.6748369 89502 303613131 613031 a-Alanine, conf. I
134000.0412 0.7546 -5.2403 3 415.6748369 89502 303613130 613031 a-Alanine, conf. I
134000.0530 0.7546 -5.2403 3 415.6748369 89502 303613131 613032 a-Alanine, conf. I
134000.0539 0.7546 -6.6885 3 415.6748369 89502 303613130 613032 a-Alanine, conf. I
134022.9104 0.0389 -5.3136 3 57.2057147 89502 30324 916 23 915 a-Alanine, conf. I
134039.6735 0.0556 -5.3515 3 60.0300147 89502 303241114 231113 a-Alanine, conf. I
134057.8683 3.1479 -6.5079 3 1202.1346651 89502 303A84069 A83970 a-Alanine, conf. I
134102.6020 0.4061 -5.2731 3 240.1756315 89502 30352 745 52 646 a-Alanine, conf. I
134102.6020 0.4061 -6.4874 3 240.1756315 89502 30352 745 52 746 a-Alanine, conf. I
134102.6020 0.4061 -6.4874 3 240.1756315 89502 30352 845 52 646 a-Alanine, conf. I
134102.6020 0.4061 -5.2731 3 240.1756315 89502 30352 845 52 746 a-Alanine, conf. I
134136.2355 1.2723 -6.5468 3 266.1783309 89502 303511734 502031 a-Alanine, conf. I
134136.5327 2.3276 -5.3863 3 515.2808435 89502 303722052 721953 a-Alanine, conf. I
134137.6310 0.5522 -6.0950 3 284.2593297 89502 303492920 483019 a-Alanine, conf. I
134137.6310 0.5522 -6.0950 3 284.2593297 89502 303492921 483018 a-Alanine, conf. I
134138.0397 2.3266 -5.3862 3 515.2809435 89502 303722152 722053 a-Alanine, conf. I
134147.4209 2.9851 -6.5832 3 1243.2729663 89502 303B04071 B03972 a-Alanine, conf. I
134149.4219 0.0654 -6.0554 3 34.1397117 89502 30319 613 18 513 a-Alanine, conf. I
134159.5990 0.0164 -6.3114 3 27.1680111 89502 30318 315 17 215 a-Alanine, conf. I
134171.2962 0.0163 -6.3113 3 27.1680111 89502 30318 415 17 315 a-Alanine, conf. I
134289.7293 9.1634 -6.4560 3 1172.9677645 89502 303A73870 A73771 a-Alanine, conf. I
134306.3547 0.3176 -5.1560 3 297.9015303 89502 303503020 502921 a-Alanine, conf. I
134306.3547 0.3176 -6.5535 3 297.9015303 89502 303503020 502922 a-Alanine, conf. I
134306.3547 0.3176 -6.5535 3 297.9015303 89502 303503021 502921 a-Alanine, conf. I
134306.3547 0.3176 -5.1560 3 297.9015303 89502 303503021 502922 a-Alanine, conf. I
134318.4509 5.8680 -6.1409 3 998.7779591 89502 303983861 983762 a-Alanine, conf. I
134367.0348 1.2159 -5.3450 3 504.2666411 89502 303683236 683137 a-Alanine, conf. I
134367.6563 1.2154 -5.3450 3 504.2666411 89502 303683237 683138 a-Alanine, conf. I
134381.8126 0.0248 -5.2114 3 63.7002171 89502 30328 226 27 225 a-Alanine, conf. I
134381.8126 0.0248 -4.6288 3 63.7002171 89502 30328 226 27 325 a-Alanine, conf. I
134381.8126 0.0248 -4.6288 3 63.7002171 89502 30328 326 27 225 a-Alanine, conf. I
134381.8126 0.0248 -5.2114 3 63.7002171 89502 30328 326 27 325 a-Alanine, conf. I
134385.2543 8.7097 -5.9130 3 861.8657555 89502 303923062 922963 a-Alanine, conf. I
134449.3292 0.0671 -5.3488 3 60.0399147 89502 303241113 231112 a-Alanine, conf. I
134455.2226 7.6428 -6.5367 3 1218.1336657 89502 303A93971 A93872 a-Alanine, conf. I
134474.6935 1.5693 -6.6087 3 439.4582405 89502 303671750 671751 a-Alanine, conf. I
134474.6990 1.5693 -5.2999 3 439.4582405 89502 303671750 671651 a-Alanine, conf. I
134474.7624 1.5693 -5.2999 3 439.4582405 89502 303671850 671751 a-Alanine, conf. I
134474.7678 1.5693 -6.6087 3 439.4582405 89502 303671850 671651 a-Alanine, conf. I
134536.2403 0.7469 -6.5456 3 441.9978357 89502 303594019 584118 a-Alanine, conf. I
134536.2403 0.7469 -6.5456 3 441.9978357 89502 303594020 584117 a-Alanine, conf. I
134553.8432 0.0532 -5.3263 3 58.5464147 89502 303241015 231014 a-Alanine, conf. I
134563.9397 1.8047 -5.4616 3 588.3480447 89502 303743341 743242 a-Alanine, conf. I
134568.9919 4.3222 -5.8494 3 831.2531537 89502 303893654 893555 a-Alanine, conf. I
134572.8975 1.7976 -5.4615 3 588.3477447 89502 303743342 743243 a-Alanine, conf. I
134634.3428 10.0450 -6.3748 3 1128.5903633 89502 303A53769 A53670 a-Alanine, conf. I
134651.1430 0.5712 -6.1285 3 297.8900303 89502 303503020 493119 a-Alanine, conf. I
134651.1430 0.5712 -6.1285 3 297.8900303 89502 303503021 493118 a-Alanine, conf. I
134667.4949 0.0137 -6.6901 3 15.9678 81 89502 30313 7 7 12 4 8 a-Alanine, conf. I
134674.5918 0.6977 -6.6685 3 404.4131363 89502 303603130 603030 a-Alanine, conf. I
134674.5922 0.6977 -5.2266 3 404.4131363 89502 303603129 603030 a-Alanine, conf. I
134674.5966 0.6977 -5.2266 3 404.4131363 89502 303603130 603031 a-Alanine, conf. I
134674.5969 0.6977 -6.6685 3 404.4131363 89502 303603129 603031 a-Alanine, conf. I
134678.3320 0.2889 -5.1543 3 288.7336297 89502 303493019 492920 a-Alanine, conf. I
134678.3320 0.2889 -6.5470 3 288.7336297 89502 303493019 492921 a-Alanine, conf. I
134678.3320 0.2889 -6.5470 3 288.7336297 89502 303493020 492920 a-Alanine, conf. I
134678.3320 0.2889 -5.1543 3 288.7336297 89502 303493020 492921 a-Alanine, conf. I
134713.6032 0.0240 -4.7991 3 61.4452159 89502 30326 521 25 620 a-Alanine, conf. I
134716.5457 0.0240 -5.2608 3 61.4452159 89502 30326 621 25 620 a-Alanine, conf. I
134720.8245 0.0240 -5.2608 3 61.4450159 89502 30326 521 25 520 a-Alanine, conf. I
134723.7670 0.0240 -4.7991 3 61.4450159 89502 30326 621 25 520 a-Alanine, conf. I
134724.0195 0.9681 -6.4708 3 263.7095309 89502 303511635 501932 a-Alanine, conf. I
134739.7846 1.4109 -6.4944 3 273.3300315 89502 303521636 511933 a-Alanine, conf. I
134787.3029 8.1518 -5.9755 3 901.0547567 89502 303943263 943164 a-Alanine, conf. I
134788.9533 3.0406 -6.6944 3 348.2277357 89502 303591742 582039 a-Alanine, conf. I
134795.0031 0.0050 -5.9810 3 27.7834 87 89502 3031413 1 1312 1 a-Alanine, conf. I
134795.0031 0.0050 -4.8329 3 27.7834 87 89502 3031413 1 1312 2 a-Alanine, conf. I
134795.0031 0.0050 -4.8329 3 27.7834 87 89502 3031413 2 1312 1 a-Alanine, conf. I
134795.0031 0.0050 -5.9810 3 27.7834 87 89502 3031413 2 1312 2 a-Alanine, conf. I
134866.3340 0.5234 -5.5098 3 181.9542285 89502 30347 344 47 245 a-Alanine, conf. I
134866.3340 0.5234 -6.6921 3 181.9542285 89502 30347 344 47 345 a-Alanine, conf. I
134866.3340 0.5234 -6.6921 3 181.9542285 89502 30347 444 47 245 a-Alanine, conf. I
134866.3340 0.5234 -5.5098 3 181.9542285 89502 30347 444 47 345 a-Alanine, conf. I
134868.4843 0.4756 -5.2349 3 276.0252333 89502 30355 946 55 847 a-Alanine, conf. I
134868.4843 0.4756 -6.4660 3 276.0252333 89502 30355 946 55 947 a-Alanine, conf. I
134868.4843 0.4756 -6.4660 3 276.0252333 89502 303551046 55 847 a-Alanine, conf. I
134868.4843 0.4756 -5.2349 3 276.0252333 89502 303551046 55 947 a-Alanine, conf. I
134903.7912 2.6503 -5.4233 3 546.1861447 89502 303742153 742054 a-Alanine, conf. I
134906.9598 2.6480 -5.4233 3 546.1861447 89502 303742253 742154 a-Alanine, conf. I
134929.8032 15.0926 -6.3652 3 1122.2847627 89502 303A44064 A43965 a-Alanine, conf. I
134983.5449 4.7849 -6.4662 3 1181.8294645 89502 303A74068 A73969 a-Alanine, conf. I
134991.1509 3.5115 -5.7050 3 745.4440507 89502 303843549 843450 a-Alanine, conf. I
135025.7633 0.2620 -5.1542 3 279.7553291 89502 303483018 482919 a-Alanine, conf. I
135025.7633 0.2620 -6.5422 3 279.7553291 89502 303483018 482920 a-Alanine, conf. I
135025.7633 0.2620 -6.5422 3 279.7553291 89502 303483019 482919 a-Alanine, conf. I
135025.7633 0.2620 -5.1542 3 279.7553291 89502 303483019 482920 a-Alanine, conf. I
135104.8620 3.5606 -6.6015 3 303.0193333 89502 303551739 541836 a-Alanine, conf. I
135147.7322 0.7768 -6.5847 3 459.1557363 89502 303604119 594218 a-Alanine, conf. I
135147.7322 0.7768 -6.5847 3 459.1557363 89502 303604120 594217 a-Alanine, conf. I
135155.4398 2.4875 -5.5745 3 664.4696477 89502 303793445 793346 a-Alanine, conf. I
135170.2943 0.4211 -5.3050 3 227.1600309 89502 30351 645 51 546 a-Alanine, conf. I
135170.2943 0.4211 -6.5107 3 227.1600309 89502 30351 645 51 646 a-Alanine, conf. I
135170.2943 0.4211 -6.5107 3 227.1600309 89502 30351 745 51 546 a-Alanine, conf. I
135170.2943 0.4211 -5.3050 3 227.1600309 89502 30351 745 51 646 a-Alanine, conf. I
135178.7971 0.5908 -6.1626 3 311.8583309 89502 303513120 503219 a-Alanine, conf. I
135178.7971 0.5908 -6.1626 3 311.8583309 89502 303513121 503218 a-Alanine, conf. I
135179.8128 1.1873 -6.5472 3 395.6345387 89502 303641549 641550 a-Alanine, conf. I
135179.8132 1.1873 -5.2599 3 395.6345387 89502 303641549 641450 a-Alanine, conf. I
135179.8180 1.1873 -5.2599 3 395.6345387 89502 303641649 641550 a-Alanine, conf. I
135179.8183 1.1873 -6.5472 3 395.6345387 89502 303641649 641450 a-Alanine, conf. I
135180.4831 0.0185 -6.4648 3 25.6335111 89502 30318 216 17 116 a-Alanine, conf. I
135180.9802 0.0185 -6.4648 3 25.6335111 89502 30318 316 17 216 a-Alanine, conf. I
135202.6920 2.4451 -5.5742 3 664.4678477 89502 303793446 793347 a-Alanine, conf. I
135205.3618 3.2961 -5.7036 3 745.4356507 89502 303843550 843451 a-Alanine, conf. I
135263.0797 0.0757 -6.6897 3 71.1232159 89502 303261215 26 918 a-Alanine, conf. I
135265.4301 6.1738 -6.2785 3 1078.7153615 89502 303A23964 A23865 a-Alanine, conf. I
135282.4844 5.5235 -6.6162 3 1264.0894669 89502 303B14072 B13973 a-Alanine, conf. I
135290.3325 0.1286 -5.6478 3 118.5730207 89502 303341322 331419 a-Alanine, conf. I
135291.1782 1.1247 -5.3251 3 491.6607405 89502 303673235 673136 a-Alanine, conf. I
135291.4398 1.1245 -5.3251 3 491.6607405 89502 303673236 673137 a-Alanine, conf. I
135307.0240 0.6449 -6.6498 3 393.3456357 89502 303593129 593029 a-Alanine, conf. I
135307.0241 0.6449 -5.2139 3 393.3456357 89502 303593128 593029 a-Alanine, conf. I
135307.0257 0.6449 -5.2139 3 393.3456357 89502 303593129 593030 a-Alanine, conf. I
135307.0258 0.6449 -6.6498 3 393.3456357 89502 303593128 593030 a-Alanine, conf. I
135325.8389 10.3538 -6.2939 3 1085.0019621 89502 303A33668 A33569 a-Alanine, conf. I
135327.4242 0.6379 -5.2243 3 313.8974351 89502 303581147 581048 a-Alanine, conf. I
135327.4242 0.6379 -6.4730 3 313.8974351 89502 303581147 581148 a-Alanine, conf. I
135327.4242 0.6379 -6.4730 3 313.8974351 89502 303581247 581048 a-Alanine, conf. I
135327.4242 0.6379 -5.2243 3 313.8974351 89502 303581247 581148 a-Alanine, conf. I
135350.0428 0.2370 -5.1557 3 270.9661285 89502 303473017 472918 a-Alanine, conf. I
135350.0428 0.2370 -6.5392 3 270.9661285 89502 303473017 472919 a-Alanine, conf. I
135350.0428 0.2370 -6.5392 3 270.9661285 89502 303473018 472918 a-Alanine, conf. I
135350.0428 0.2370 -5.1557 3 270.9661285 89502 303473018 472919 a-Alanine, conf. I
135392.7850 0.0510 -5.0381 3 55.7775147 89502 30324 817 23 716 a-Alanine, conf. I
135441.9427 7.4409 -5.8434 3 823.4980543 89502 303902961 902862 a-Alanine, conf. I
135445.4763 0.8778 -5.2339 3 353.7737369 89502 303611348 611249 a-Alanine, conf. I
135445.4763 0.8778 -6.5013 3 353.7737369 89502 303611348 611349 a-Alanine, conf. I
135445.4766 0.8778 -5.2339 3 353.7737369 89502 303611448 611349 a-Alanine, conf. I
135445.4767 0.8778 -6.5013 3 353.7737369 89502 303611448 611249 a-Alanine, conf. I
135495.7221 7.4696 -5.9060 3 861.8730555 89502 303923162 923063 a-Alanine, conf. I
135508.4642 0.5354 -5.6176 3 120.4986207 89502 303341420 331519 a-Alanine, conf. I
135522.7664 0.0040 -4.8781 3 28.5402 93 89502 3031512 4 1411 3 a-Alanine, conf. I
135522.7667 0.0040 -5.9941 3 28.5402 93 89502 3031512 3 1411 3 a-Alanine, conf. I
135522.7685 0.0040 -5.9941 3 28.5402 93 89502 3031512 4 1411 4 a-Alanine, conf. I
135522.7688 0.0040 -4.8781 3 28.5402 93 89502 3031512 3 1411 4 a-Alanine, conf. I
135527.3893 0.0417 -5.2571 3 31.9631111 89502 30318 810 17 711 a-Alanine, conf. I
135548.9618 3.0094 -5.4637 3 577.9341459 89502 303762254 762155 a-Alanine, conf. I
135550.0679 5.1278 -5.9696 3 904.2626561 89502 303933757 933658 a-Alanine, conf. I
135555.4936 3.0045 -5.4637 3 577.9341459 89502 303762354 762255 a-Alanine, conf. I
135556.8024 22.6747 -6.6411 3 1273.5371669 89502 303B14269 B14170 a-Alanine, conf. I
135599.8768 1.8074 -6.6451 3 468.2247417 89502 303691851 691852 a-Alanine, conf. I
135599.8900 1.8074 -5.3269 3 468.2247417 89502 303691851 691752 a-Alanine, conf. I
135600.0350 1.8073 -5.3269 3 468.2247417 89502 303691951 691852 a-Alanine, conf. I
135600.0483 1.8073 -6.6451 3 468.2247417 89502 303691951 691752 a-Alanine, conf. I
135652.4728 0.2137 -5.1588 3 262.3658279 89502 303463016 462917 a-Alanine, conf. I
135652.4728 0.2137 -6.5380 3 262.3658279 89502 303463016 462918 a-Alanine, conf. I
135652.4728 0.2137 -6.5380 3 262.3658279 89502 303463017 462917 a-Alanine, conf. I
135652.4728 0.2137 -5.1588 3 262.3658279 89502 303463017 462918 a-Alanine, conf. I
135683.5014 0.5832 -5.6541 3 170.0873279 89502 30346 244 46 145 a-Alanine, conf. I
135683.5014 0.5832 -5.6541 3 170.0873279 89502 30346 344 46 245 a-Alanine, conf. I
135691.5115 0.0417 -4.9924 3 60.2938153 89502 30325 718 24 817 a-Alanine, conf. I
135718.6732 0.6112 -6.1972 3 326.1639315 89502 303523220 513319 a-Alanine, conf. I
135718.6732 0.6112 -6.1972 3 326.1639315 89502 303523221 513318 a-Alanine, conf. I
135752.1347 1.6617 -5.4366 3 574.5830441 89502 303733340 733241 a-Alanine, conf. I
135756.2330 1.6585 -5.4366 3 574.5829441 89502 303733341 733242 a-Alanine, conf. I
135761.7315 0.8083 -6.6244 3 476.6498369 89502 303614219 604318 a-Alanine, conf. I
135761.7315 0.8083 -6.6244 3 476.6498369 89502 303614220 604317 a-Alanine, conf. I
135814.9961 0.0339 -5.1823 3 65.5163177 89502 30329 128 28 127 a-Alanine, conf. I
135814.9961 0.0339 -4.5734 3 65.5163177 89502 30329 128 28 227 a-Alanine, conf. I
135814.9961 0.0339 -4.5734 3 65.5163177 89502 30329 228 28 127 a-Alanine, conf. I
135814.9961 0.0339 -5.1823 3 65.5163177 89502 30329 228 28 227 a-Alanine, conf. I
135900.1468 0.5958 -5.2023 3 382.4715351 89502 303583127 583028 a-Alanine, conf. I
135900.1468 0.5958 -6.6323 3 382.4715351 89502 303583128 583028 a-Alanine, conf. I
135900.1474 0.5958 -6.6323 3 382.4715351 89502 303583127 583029 a-Alanine, conf. I
135900.1474 0.5958 -5.2023 3 382.4715351 89502 303583128 583029 a-Alanine, conf. I
135934.2731 0.1923 -5.1639 3 253.9538273 89502 303453015 452916 a-Alanine, conf. I
135934.2731 0.1923 -6.5388 3 253.9538273 89502 303453015 452917 a-Alanine, conf. I
135934.2731 0.1923 -6.5388 3 253.9538273 89502 303453016 452916 a-Alanine, conf. I
135934.2731 0.1923 -5.1639 3 253.9538273 89502 303453016 452917 a-Alanine, conf. I
135980.1300 0.0543 -6.4068 3 99.4969153 89502 3032524 1 2424 0 a-Alanine, conf. I
135980.1300 0.0543 -6.4068 3 99.4969153 89502 3032524 2 2424 1 a-Alanine, conf. I
136052.7207 4.5429 -5.8150 3 814.5947531 89502 303883652 883553 a-Alanine, conf. I
136063.0394 3.4102 -5.5076 3 610.5219471 89502 303782355 782256 a-Alanine, conf. I
136064.7024 6.7689 -5.8395 3 823.5019543 89502 303903061 902962 a-Alanine, conf. I
136066.4381 0.0472 -6.1065 3 95.8212153 89502 3032523 2 2423 1 a-Alanine, conf. I
136066.4381 0.0472 -6.1065 3 95.8212153 89502 3032523 3 2423 2 a-Alanine, conf. I
136067.9436 0.0242 -4.7184 3 63.8902165 89502 30327 423 26 522 a-Alanine, conf. I
136067.9985 0.0242 -5.2327 3 63.8902165 89502 30327 523 26 522 a-Alanine, conf. I
136068.0894 0.0242 -5.2327 3 63.8902165 89502 30327 423 26 422 a-Alanine, conf. I
136068.1444 0.0242 -4.7184 3 63.8902165 89502 30327 523 26 422 a-Alanine, conf. I
136076.2521 3.3997 -5.5075 3 610.5220471 89502 303782455 782356 a-Alanine, conf. I
136083.8602 0.4411 -5.2492 3 262.3207327 89502 30354 846 54 747 a-Alanine, conf. I
136083.8602 0.4411 -6.4710 3 262.3207327 89502 30354 846 54 847 a-Alanine, conf. I
136083.8602 0.4411 -6.4710 3 262.3207327 89502 30354 946 54 747 a-Alanine, conf. I
136083.8602 0.4411 -5.2492 3 262.3207327 89502 30354 946 54 847 a-Alanine, conf. I
136085.3330 21.5050 -6.4486 3 1168.1767645 89502 303A73671 A73572 a-Alanine, conf. I
136104.7099 11.5746 -6.0725 3 958.9826585 89502 303973265 973166 a-Alanine, conf. I
136119.9353 0.0092 -5.0947 3 33.0906111 89502 30318 910 17 8 9 a-Alanine, conf. I
136130.8613 6.4433 -5.7782 3 785.9435531 89502 303882860 882761 a-Alanine, conf. I
136156.4425 1.0414 -5.3062 3 479.2522399 89502 303663234 663135 a-Alanine, conf. I
136156.5501 1.0414 -5.3062 3 479.2522399 89502 303663235 663136 a-Alanine, conf. I
136165.5089 0.0408 -5.9316 3 92.3049153 89502 3032522 3 2422 2 a-Alanine, conf. I
136165.5089 0.0408 -5.9316 3 92.3049153 89502 3032522 4 2422 3 a-Alanine, conf. I
136168.9455 0.4565 -5.3500 3 214.3650303 89502 30350 545 50 446 a-Alanine, conf. I
136168.9455 0.4565 -6.5474 3 214.3650303 89502 30350 545 50 546 a-Alanine, conf. I
136168.9455 0.4565 -6.5474 3 214.3650303 89502 30350 645 50 446 a-Alanine, conf. I
136168.9455 0.4565 -5.3500 3 214.3650303 89502 30350 645 50 546 a-Alanine, conf. I
136180.4439 0.5709 -5.5645 3 98.6790189 89502 303311219 301318 a-Alanine, conf. I
136196.5893 0.1728 -5.1710 3 245.7298267 89502 303443014 442915 a-Alanine, conf. I
136196.5893 0.1728 -6.5417 3 245.7298267 89502 303443014 442916 a-Alanine, conf. I
136196.5893 0.1728 -6.5417 3 245.7298267 89502 303443015 442915 a-Alanine, conf. I
136196.5893 0.1728 -5.1710 3 245.7298267 89502 303443015 442916 a-Alanine, conf. I
136198.9943 0.0049 -4.9299 3 29.6588 99 89502 3031611 6 1510 5 a-Alanine, conf. I
136199.0640 0.0049 -6.0030 3 29.6588 99 89502 3031611 5 1510 5 a-Alanine, conf. I
136199.4424 0.0049 -6.0030 3 29.6588 99 89502 3031611 6 1510 6 a-Alanine, conf. I
136199.5121 0.0049 -4.9298 3 29.6588 99 89502 3031611 5 1510 6 a-Alanine, conf. I
136210.6104 10.2098 -6.2141 3 1042.2045609 89502 303A13567 A13468 a-Alanine, conf. I
136212.7800 1.0353 -6.0006 3 145.8037231 89502 303381326 371423 a-Alanine, conf. I
136269.1487 0.6323 -6.2323 3 340.8067321 89502 303533320 523419 a-Alanine, conf. I
136269.1487 0.6323 -6.2323 3 340.8067321 89502 303533321 523418 a-Alanine, conf. I
136279.9125 0.0355 -5.8083 3 88.9485153 89502 3032521 4 2421 3 a-Alanine, conf. I
136279.9125 0.0355 -5.8083 3 88.9485153 89502 3032521 5 2421 4 a-Alanine, conf. I
136296.0783 10.9431 -6.2097 3 1040.7016603 89502 303A03961 A03862 a-Alanine, conf. I
136377.8747 0.8416 -6.6647 3 494.4801375 89502 303624319 614418 a-Alanine, conf. I
136377.8747 0.8416 -6.6647 3 494.4801375 89502 303624320 614417 a-Alanine, conf. I
136406.4975 0.0075 -6.0095 3 33.0906111 89502 30318 9 9 17 8 9 a-Alanine, conf. I
136412.7460 6.0442 -6.4226 3 1161.7110639 89502 303A64067 A63968 a-Alanine, conf. I
136412.9347 0.0317 -5.7134 3 85.7527153 89502 3032520 5 2420 4 a-Alanine, conf. I
136412.9347 0.0317 -5.7134 3 85.7527153 89502 3032520 6 2420 5 a-Alanine, conf. I
136424.4023 5.9004 -6.0981 3 980.3629585 89502 303973860 973761 a-Alanine, conf. I
136434.8812 3.8601 -5.5548 3 643.9465483 89502 303802456 802357 a-Alanine, conf. I
136440.5002 0.1553 -5.1804 3 237.6934261 89502 303433013 432914 a-Alanine, conf. I
136440.5002 0.1553 -6.5471 3 237.6934261 89502 303433013 432915 a-Alanine, conf. I
136440.5002 0.1553 -6.5471 3 237.6934261 89502 303433014 432914 a-Alanine, conf. I
136440.5002 0.1553 -5.1804 3 237.6934261 89502 303433014 432915 a-Alanine, conf. I
136447.6817 0.6454 -5.9240 3 158.4488273 89502 30345 144 45 045 a-Alanine, conf. I
136447.6817 0.6454 -5.9240 3 158.4488273 89502 30345 244 45 145 a-Alanine, conf. I
136456.5006 0.5499 -5.1918 3 371.7904345 89502 303573126 573027 a-Alanine, conf. I
136456.5006 0.5499 -6.6162 3 371.7904345 89502 303573127 573027 a-Alanine, conf. I
136456.5008 0.5499 -6.6162 3 371.7904345 89502 303573126 573028 a-Alanine, conf. I
136456.5008 0.5499 -5.1918 3 371.7904345 89502 303573127 573028 a-Alanine, conf. I
136461.1253 3.8379 -5.5547 3 643.9466483 89502 303802556 802457 a-Alanine, conf. I
136473.4385 6.0882 -5.7760 3 785.9454531 89502 303882960 882861 a-Alanine, conf. I
136506.6130 4.0397 -5.8121 3 814.5768531 89502 303883653 883554 a-Alanine, conf. I
136514.6600 1.3826 -6.5760 3 423.0964399 89502 303661650 661651 a-Alanine, conf. I
136514.6609 1.3826 -5.2800 3 423.0964399 89502 303661650 661551 a-Alanine, conf. I
136514.6726 1.3826 -5.2800 3 423.0964399 89502 303661750 661651 a-Alanine, conf. I
136514.6735 1.3826 -6.5760 3 423.0964399 89502 303661750 661551 a-Alanine, conf. I
136529.3840 5.6321 -5.7170 3 749.2069519 89502 303862759 862660 a-Alanine, conf. I
136548.4755 2.0068 -6.6562 3 1289.6352675 89502 303B24172 B24073 a-Alanine, conf. I
136568.8455 0.0296 -5.6367 3 82.7181153 89502 3032519 6 2419 5 a-Alanine, conf. I
136568.8455 0.0296 -5.6367 3 82.7181153 89502 3032519 7 2419 6 a-Alanine, conf. I
136593.6525 2.2720 -5.5453 3 649.7382471 89502 303783444 783345 a-Alanine, conf. I
136616.5333 2.2518 -5.5451 3 649.7373471 89502 303783445 783346 a-Alanine, conf. I
136625.9045 2.0712 -5.3577 3 497.8426429 89502 303711952 711853 a-Alanine, conf. I
136626.2283 2.0710 -5.3577 3 497.8426429 89502 303712052 711953 a-Alanine, conf. I
136632.7425 0.0260 -5.2761 3 60.2938153 89502 30325 818 24 817 a-Alanine, conf. I
136650.2589 4.3693 -5.6054 3 678.2046495 89502 303822557 822458 a-Alanine, conf. I
136667.0237 0.1402 -5.1923 3 229.8444255 89502 303423012 422913 a-Alanine, conf. I
136667.0237 0.1402 -6.5551 3 229.8444255 89502 303423012 422914 a-Alanine, conf. I
136667.0237 0.1402 -6.5551 3 229.8444255 89502 303423013 422913 a-Alanine, conf. I
136667.0237 0.1402 -5.1923 3 229.8444255 89502 303423013 422914 a-Alanine, conf. I
136690.3556 4.9524 -5.6594 3 713.2926507 89502 303842658 842559 a-Alanine, conf. I
136701.4701 4.3234 -5.6051 3 678.2048495 89502 303822657 822558 a-Alanine, conf. I
136701.7749 5.9733 -5.9354 3 886.8558555 89502 303923755 923656 a-Alanine, conf. I
136708.2859 0.0063 -4.9949 3 31.1574105 89502 3031710 8 16 9 7 a-Alanine, conf. I
136708.5665 0.5564 -5.2267 3 299.5131345 89502 303571047 57 948 a-Alanine, conf. I
136708.5665 0.5564 -6.4655 3 299.5131345 89502 303571047 571048 a-Alanine, conf. I
136708.5665 0.5564 -6.4655 3 299.5131345 89502 303571147 57 948 a-Alanine, conf. I
136708.5665 0.5564 -5.2267 3 299.5131345 89502 303571147 571048 a-Alanine, conf. I
136714.4261 5.4487 -5.7158 3 749.2079519 89502 303862859 862760 a-Alanine, conf. I
136715.1083 0.0064 -6.0075 3 31.1574105 89502 3031710 7 16 9 7 a-Alanine, conf. I
136743.0486 0.0064 -6.0074 3 31.1562105 89502 3031710 8 16 9 8 a-Alanine, conf. I
136749.8711 0.0065 -4.9947 3 31.1562105 89502 3031710 7 16 9 8 a-Alanine, conf. I
136753.3034 0.0295 -5.5726 3 79.8459153 89502 3032518 7 2418 6 a-Alanine, conf. I
136753.3034 0.0295 -5.5726 3 79.8459153 89502 3032518 8 2418 7 a-Alanine, conf. I
136757.8768 2.2836 -6.6167 3 288.2029321 89502 303531835 522132 a-Alanine, conf. I
136771.9438 3.1501 -5.6711 3 729.7386501 89502 303833548 833449 a-Alanine, conf. I
136788.5543 4.8597 -5.6588 3 713.2931507 89502 303842758 842659 a-Alanine, conf. I
136790.1935 15.6428 -6.2505 3 1061.0993615 89502 303A23468 A23369 a-Alanine, conf. I
136803.1140 0.0983 -5.3102 3 58.6241147 89502 303241014 231013 a-Alanine, conf. I
136822.6890 0.0157 -6.5352 3 15.6564 87 89502 30314 311 13 212 a-Alanine, conf. I
136828.8418 0.6542 -6.2680 3 355.7865327 89502 303543420 533519 a-Alanine, conf. I
136828.8418 0.6542 -6.2680 3 355.7865327 89502 303543421 533518 a-Alanine, conf. I
136830.8087 8.0107 -6.0667 3 962.2252579 89502 303963858 963759 a-Alanine, conf. I
136859.7365 1.5341 -5.4127 3 561.0187435 89502 303723339 723240 a-Alanine, conf. I
136861.5711 1.5327 -5.4127 3 561.0187435 89502 303723340 723241 a-Alanine, conf. I
136877.1225 0.1275 -5.2071 3 222.1823249 89502 303413011 412912 a-Alanine, conf. I
136877.1225 0.1275 -6.5661 3 222.1823249 89502 303413011 412913 a-Alanine, conf. I
136877.1225 0.1275 -6.5661 3 222.1823249 89502 303413012 412912 a-Alanine, conf. I
136877.1225 0.1275 -5.2071 3 222.1823249 89502 303413012 412913 a-Alanine, conf. I
136881.5422 3.0405 -5.6704 3 729.7344501 89502 303833549 833450 a-Alanine, conf. I
136906.2911 3.5606 -6.6156 3 1268.6020669 89502 303B14171 B14072 a-Alanine, conf. I
136965.7404 1.0356 -5.2462 3 379.9206381 89502 303631449 631350 a-Alanine, conf. I
136965.7404 1.0356 -6.5219 3 379.9206381 89502 303631449 631450 a-Alanine, conf. I
136965.7412 1.0356 -5.2462 3 379.9206381 89502 303631549 631450 a-Alanine, conf. I
136965.7413 1.0356 -6.5219 3 379.9206381 89502 303631549 631350 a-Alanine, conf. I
136967.4738 0.9650 -5.2884 3 467.0403393 89502 303653233 653134 a-Alanine, conf. I
136967.5170 0.9650 -5.2884 3 467.0403393 89502 303653234 653135 a-Alanine, conf. I
136973.9872 0.0314 -5.5178 3 77.1373153 89502 3032517 9 2417 8 a-Alanine, conf. I
136973.9873 0.0314 -5.5178 3 77.1373153 89502 3032517 8 2417 7 a-Alanine, conf. I
136978.3938 0.5069 -5.1824 3 361.3017339 89502 303563125 563026 a-Alanine, conf. I
136978.3938 0.5069 -6.6013 3 361.3017339 89502 303563126 563026 a-Alanine, conf. I
136978.3939 0.5069 -6.6013 3 361.3017339 89502 303563125 563027 a-Alanine, conf. I
136978.3939 0.5069 -5.1824 3 361.3017339 89502 303563126 563027 a-Alanine, conf. I
137014.7726 0.7592 -5.2275 3 338.7193363 89502 303601248 601149 a-Alanine, conf. I
137014.7726 0.7592 -6.4842 3 338.7193363 89502 303601248 601249 a-Alanine, conf. I
137014.7727 0.7592 -6.4842 3 338.7193363 89502 303601348 601149 a-Alanine, conf. I
137014.7727 0.7592 -5.2275 3 338.7193363 89502 303601348 601249 a-Alanine, conf. I
137016.3011 9.9984 -6.5625 3 1238.7026663 89502 303B03972 B03873 a-Alanine, conf. I
137030.1705 1.3157 -6.1076 3 157.5110237 89502 303391524 391227 a-Alanine, conf. I
137071.7089 0.1177 -5.2253 3 214.7069243 89502 303403010 402911 a-Alanine, conf. I
137071.7089 0.1177 -6.5805 3 214.7069243 89502 303403010 402912 a-Alanine, conf. I
137071.7089 0.1177 -6.5805 3 214.7069243 89502 303403011 402911 a-Alanine, conf. I
137071.7089 0.1177 -5.2253 3 214.7069243 89502 303403011 402912 a-Alanine, conf. I
137103.6064 0.5058 -5.4135 3 201.7928297 89502 30349 445 49 346 a-Alanine, conf. I
137103.6064 0.5058 -6.6029 3 201.7928297 89502 30349 445 49 446 a-Alanine, conf. I
137103.6064 0.5058 -6.6029 3 201.7928297 89502 30349 545 49 346 a-Alanine, conf. I
137103.6064 0.5058 -5.4135 3 201.7928297 89502 30349 545 49 446 a-Alanine, conf. I
137142.3761 8.2493 -6.6463 3 1285.0606675 89502 303B24073 B23974 a-Alanine, conf. I
137159.2899 9.7494 -6.1361 3 1000.2015597 89502 303993466 993367 a-Alanine, conf. I
137196.9244 0.0097 -6.0060 3 33.0546111 89502 30318 910 17 810 a-Alanine, conf. I
137220.5835 0.4345 -5.2711 3 248.8325321 89502 30353 746 53 647 a-Alanine, conf. I
137220.5835 0.4345 -6.4841 3 248.8325321 89502 30353 746 53 747 a-Alanine, conf. I
137220.5835 0.4345 -6.4841 3 248.8325321 89502 30353 846 53 647 a-Alanine, conf. I
137220.5835 0.4345 -5.2711 3 248.8325321 89502 30353 846 53 747 a-Alanine, conf. I
137235.0806 0.0141 -6.5337 3 15.6563 87 89502 30314 411 13 112 a-Alanine, conf. I
137241.6338 0.0349 -5.4701 3 74.5943153 89502 303251610 2416 9 a-Alanine, conf. I
137241.6357 0.0349 -5.4701 3 74.5943153 89502 3032516 9 2416 8 a-Alanine, conf. I
137245.5269 0.0509 -5.1539 3 67.1497183 89502 30330 030 29 029 a-Alanine, conf. I
137245.5269 0.0509 -4.5232 3 67.1497183 89502 30330 030 29 129 a-Alanine, conf. I
137245.5269 0.0509 -4.5232 3 67.1497183 89502 30330 130 29 029 a-Alanine, conf. I
137245.5269 0.0509 -5.1539 3 67.1497183 89502 30330 130 29 129 a-Alanine, conf. I
137251.6491 0.1110 -5.2472 3 207.4178237 89502 3033930 9 392910 a-Alanine, conf. I
137251.6491 0.1110 -6.5989 3 207.4178237 89502 3033930 9 392911 a-Alanine, conf. I
137251.6491 0.1110 -6.5989 3 207.4178237 89502 303393010 392910 a-Alanine, conf. I
137251.6491 0.1110 -5.2472 3 207.4178237 89502 303393010 392911 a-Alanine, conf. I
137277.4753 6.5231 -6.2344 3 1059.5423609 89502 303A13963 A13864 a-Alanine, conf. I
137291.5048 1.3400 -6.2091 3 141.2242225 89502 303371423 371126 a-Alanine, conf. I
137304.0053 0.4659 -5.7540 3 184.1820249 89502 303412022 402119 a-Alanine, conf. I
137307.5655 0.4664 -5.7539 3 184.1820249 89502 303412021 402120 a-Alanine, conf. I
137323.8787 0.4553 -5.7236 3 173.7658243 89502 303401922 392019 a-Alanine, conf. I
137339.2607 0.4575 -5.7235 3 173.7658243 89502 303401921 392020 a-Alanine, conf. I
137393.2517 0.4779 -5.7846 3 194.9397255 89502 303422122 412219 a-Alanine, conf. I
137394.0354 0.4780 -5.7846 3 194.9397255 89502 303422121 412220 a-Alanine, conf. I
137396.5680 0.6771 -6.3042 3 371.1033333 89502 303553520 543619 a-Alanine, conf. I
137396.5680 0.6771 -6.3042 3 371.1033333 89502 303553521 543618 a-Alanine, conf. I
137417.7668 0.1076 -5.2739 3 200.3147231 89502 3033830 8 3829 9 a-Alanine, conf. I
137417.7668 0.1076 -6.6221 3 200.3147231 89502 3033830 8 382910 a-Alanine, conf. I
137417.7668 0.1076 -6.6221 3 200.3147231 89502 3033830 9 3829 9 a-Alanine, conf. I
137417.7668 0.1076 -5.2739 3 200.3147231 89502 3033830 9 382910 a-Alanine, conf. I
137428.4843 11.0351 -6.4782 3 1193.1289651 89502 303A83871 A83772 a-Alanine, conf. I
137467.9337 0.4667 -5.1742 3 351.0048333 89502 303553124 553025 a-Alanine, conf. I
137467.9337 0.4667 -6.5878 3 351.0048333 89502 303553125 553025 a-Alanine, conf. I
137467.9338 0.4667 -6.5878 3 351.0048333 89502 303553124 553026 a-Alanine, conf. I
137467.9338 0.4667 -5.1742 3 351.0048333 89502 303553125 553026 a-Alanine, conf. I
137473.4736 0.0245 -4.6505 3 66.1326171 89502 30328 325 27 424 a-Alanine, conf. I
137473.4742 0.0245 -5.2044 3 66.1326171 89502 30328 425 27 424 a-Alanine, conf. I
137473.4754 0.0245 -5.2044 3 66.1326171 89502 30328 325 27 324 a-Alanine, conf. I
137473.4761 0.0245 -4.6505 3 66.1326171 89502 30328 425 27 324 a-Alanine, conf. I
137477.7321 0.4457 -5.6935 3 163.6922237 89502 303391822 381919 a-Alanine, conf. I
137483.4866 0.0129 -5.0896 3 33.0546111 89502 30318 9 9 17 810 a-Alanine, conf. I
137537.1603 0.0252 -5.2693 3 60.2322153 89502 30325 718 24 717 a-Alanine, conf. I
137540.5228 0.4536 -5.6931 3 163.6921237 89502 303391821 381920 a-Alanine, conf. I
137547.8477 2.3632 -5.3920 3 528.3092441 89502 303732053 731954 a-Alanine, conf. I
137548.5548 2.3627 -5.3920 3 528.3092441 89502 303732153 732054 a-Alanine, conf. I
137569.1759 0.4913 -5.8155 3 206.0382261 89502 303432222 422319 a-Alanine, conf. I
137569.3407 0.4913 -5.8155 3 206.0382261 89502 303432221 422320 a-Alanine, conf. I
137570.8465 0.1072 -5.3061 3 193.3973225 89502 3033730 7 3729 8 a-Alanine, conf. I
137570.8465 0.1072 -6.6509 3 193.3973225 89502 3033730 7 3729 9 a-Alanine, conf. I
137570.8465 0.1072 -6.6509 3 193.3973225 89502 3033730 8 3729 8 a-Alanine, conf. I
137570.8465 0.1072 -5.3061 3 193.3973225 89502 3033730 8 3729 9 a-Alanine, conf. I
137571.8381 0.0396 -5.4280 3 72.2193153 89502 303251511 241510 a-Alanine, conf. I
137571.8813 0.0396 -5.4280 3 72.2193153 89502 303251510 2415 9 a-Alanine, conf. I
137575.9177 0.1112 -6.6391 3 76.0873165 89502 303271216 27 919 a-Alanine, conf. I
137612.1716 4.8702 -5.9297 3 886.8195555 89502 303923756 923657 a-Alanine, conf. I
137696.7937 2.8394 -6.6321 3 337.3869351 89502 303581741 572038 a-Alanine, conf. I
137711.6367 0.1097 -5.3454 3 186.6654219 89502 3033630 6 3629 7 a-Alanine, conf. I
137711.6367 0.1097 -5.3454 3 186.6654219 89502 3033630 7 3629 8 a-Alanine, conf. I
137728.3400 0.8946 -5.2716 3 455.0243387 89502 303643232 643133 a-Alanine, conf. I
137728.3570 0.8946 -5.2716 3 455.0243387 89502 303643233 643134 a-Alanine, conf. I
137761.0319 1.5998 -6.6090 3 451.4149411 89502 303681751 681752 a-Alanine, conf. I
137761.0342 1.5998 -5.3041 3 451.4149411 89502 303681751 681652 a-Alanine, conf. I
137761.0622 1.5998 -5.3041 3 451.4149411 89502 303681851 681752 a-Alanine, conf. I
137761.0645 1.5998 -6.6090 3 451.4149411 89502 303681851 681652 a-Alanine, conf. I
137761.7368 9.7318 -5.9943 3 918.5870573 89502 303953164 953065 a-Alanine, conf. I
137778.2784 0.4345 -5.6639 3 153.9627231 89502 303381722 371819 a-Alanine, conf. I
137814.2220 0.5059 -5.8466 3 217.4767267 89502 303442322 432419 a-Alanine, conf. I
137814.2553 0.5059 -5.8466 3 217.4767267 89502 303442321 432420 a-Alanine, conf. I
137840.8520 0.1146 -5.3939 3 180.1186213 89502 3033530 5 3529 6 a-Alanine, conf. I
137840.8520 0.1146 -5.3939 3 180.1186213 89502 3033530 6 3529 7 a-Alanine, conf. I
137845.3110 16.7064 -6.4674 3 1186.5586645 89502 303A74166 A74067 a-Alanine, conf. I
137877.6747 5.3503 -6.5725 3 1247.7476663 89502 303B04170 B04071 a-Alanine, conf. I
137894.7172 1.4193 -5.3899 3 547.6541429 89502 303713338 713239 a-Alanine, conf. I
137895.5208 1.4187 -5.3899 3 547.6541429 89502 303713339 713240 a-Alanine, conf. I
137906.5972 0.0256 -4.8469 3 63.2319159 89502 30326 620 25 719 a-Alanine, conf. I
137921.1432 0.2726 -5.6085 3 126.8718213 89502 303351422 341519 a-Alanine, conf. I
137924.8314 2.0862 -5.5173 3 635.2106465 89502 303773443 773344 a-Alanine, conf. I
137927.0526 0.4290 -5.1671 3 340.8993327 89502 303543123 543024 a-Alanine, conf. I
137927.0526 0.4290 -6.5756 3 340.8993327 89502 303543123 543025 a-Alanine, conf. I
137927.0526 0.4290 -6.5756 3 340.8993327 89502 303543124 543024 a-Alanine, conf. I
137927.0526 0.4290 -5.1671 3 340.8993327 89502 303543124 543025 a-Alanine, conf. I
137935.6770 2.0767 -5.5173 3 635.2101465 89502 303773444 773345 a-Alanine, conf. I
137949.2368 0.0745 -5.9685 3 38.6145123 89502 30320 713 19 613 a-Alanine, conf. I
137949.8478 0.0256 -5.2502 3 63.2319159 89502 30326 720 25 719 a-Alanine, conf. I
137959.1758 0.1212 -5.4547 3 173.7567207 89502 3033430 4 3429 5 a-Alanine, conf. I
137959.1758 0.1212 -5.4547 3 173.7567207 89502 3033430 5 3429 6 a-Alanine, conf. I
137971.3054 0.7009 -6.3409 3 386.7570339 89502 303563620 553719 a-Alanine, conf. I
137971.3054 0.7009 -6.3409 3 386.7570339 89502 303563621 553718 a-Alanine, conf. I
137978.7684 0.5636 -5.5056 3 189.4453291 89502 30348 345 48 246 a-Alanine, conf. I
137978.7684 0.5636 -5.5056 3 189.4453291 89502 30348 445 48 346 a-Alanine, conf. I
137988.2339 0.0456 -5.3904 3 70.0161153 89502 303251412 241411 a-Alanine, conf. I
137989.0109 0.0456 -5.3904 3 70.0161153 89502 303251411 241410 a-Alanine, conf. I
137999.3019 0.4982 -5.2344 3 285.3404339 89502 30356 947 56 848 a-Alanine, conf. I
137999.3019 0.4982 -6.4637 3 285.3404339 89502 30356 947 56 948 a-Alanine, conf. I
137999.3019 0.4982 -6.4637 3 285.3404339 89502 303561047 56 848 a-Alanine, conf. I
137999.3019 0.4982 -5.2344 3 285.3404339 89502 303561047 56 948 a-Alanine, conf. I
138004.7217 0.0258 -5.2498 3 63.2286159 89502 30326 620 25 619 a-Alanine, conf. I
138011.0814 0.0112 -6.4152 3 18.4469 87 89502 30314 7 8 13 4 9 a-Alanine, conf. I
138018.3137 0.4607 -5.6623 3 153.9623231 89502 303381721 371820 a-Alanine, conf. I
138032.6442 3.9128 -6.6717 3 348.1207357 89502 303591842 581939 a-Alanine, conf. I
138047.9723 0.0259 -4.8459 3 63.2286159 89502 30326 720 25 619 a-Alanine, conf. I
138067.2621 0.1291 -5.5335 3 167.5795201 89502 3033330 3 3329 4 a-Alanine, conf. I
138067.2621 0.1291 -5.5335 3 167.5795201 89502 3033330 4 3329 5 a-Alanine, conf. I
138073.4519 9.0972 -6.0604 3 958.9967585 89502 303973365 973266 a-Alanine, conf. I
138102.6209 4.0123 -5.7776 3 798.1184525 89502 303873651 873552 a-Alanine, conf. I
138115.0615 0.5215 -5.8781 3 229.2548273 89502 303452422 442519 a-Alanine, conf. I
138115.0680 0.5215 -5.8781 3 229.2548273 89502 303452421 442520 a-Alanine, conf. I
138139.9009 1.1369 -6.0277 3 174.6369249 89502 303411625 411328 a-Alanine, conf. I
138157.7599 0.0263 -5.9427 3 39.3387123 89502 30320 812 19 712 a-Alanine, conf. I
138165.7374 0.1379 -5.6404 3 161.5867195 89502 3033230 2 3229 3 a-Alanine, conf. I
138165.7374 0.1379 -5.6404 3 161.5867195 89502 3033230 3 3229 4 a-Alanine, conf. I
138176.7239 0.4140 -5.6362 3 144.5795225 89502 303371622 361719 a-Alanine, conf. I
138206.2292 0.0335 -6.0401 3 34.2029117 89502 30319 713 18 613 a-Alanine, conf. I
138208.1490 11.4269 -6.3940 3 1148.3401639 89502 303A63770 A63671 a-Alanine, conf. I
138213.9814 6.8482 -6.3778 3 1141.7867633 89502 303A54066 A53967 a-Alanine, conf. I
138255.2019 0.1473 -5.7986 3 155.7780189 89502 3033130 1 3129 2 a-Alanine, conf. I
138255.2019 0.1473 -5.7986 3 155.7780189 89502 3033130 2 3129 3 a-Alanine, conf. I
138264.7412 0.3954 -5.3994 3 79.0939171 89502 303281018 271117 a-Alanine, conf. I
138284.7942 0.4535 -5.3027 3 235.5629315 89502 30352 646 52 547 a-Alanine, conf. I
138284.7942 0.4535 -6.5073 3 235.5629315 89502 30352 646 52 647 a-Alanine, conf. I
138284.7942 0.4535 -6.5073 3 235.5629315 89502 30352 746 52 547 a-Alanine, conf. I
138284.7942 0.4535 -5.3027 3 235.5629315 89502 30352 746 52 647 a-Alanine, conf. I
138336.2315 0.1570 -6.0818 3 150.1532183 89502 3033030 0 3029 1 a-Alanine, conf. I
138336.2315 0.1570 -6.0818 3 150.1532183 89502 3033030 1 3029 2 a-Alanine, conf. I
138342.5258 3.7467 -5.7761 3 798.1090525 89502 303873652 873553 a-Alanine, conf. I
138357.5290 0.3935 -5.1612 3 330.9846321 89502 303533122 533023 a-Alanine, conf. I
138357.5290 0.3935 -6.5648 3 330.9846321 89502 303533122 533024 a-Alanine, conf. I
138357.5290 0.3935 -6.5648 3 330.9846321 89502 303533123 533023 a-Alanine, conf. I
138357.5290 0.3935 -5.1612 3 330.9846321 89502 303533123 533024 a-Alanine, conf. I
138360.0986 2.6866 -5.4298 3 559.6218453 89502 303752154 752055 a-Alanine, conf. I
138361.6112 2.6854 -5.4297 3 559.6218453 89502 303752254 752155 a-Alanine, conf. I
138385.5404 0.0404 -6.0981 3 32.9910117 89502 30319 514 18 414 a-Alanine, conf. I
138394.3351 2.8566 -5.6388 3 714.2413495 89502 303823547 823448 a-Alanine, conf. I
138398.9130 1.2490 -6.3253 3 125.7834213 89502 303351322 351025 a-Alanine, conf. I
138405.4365 1.2130 -6.5472 3 406.9288393 89502 303651550 651551 a-Alanine, conf. I
138405.4366 1.2130 -5.2630 3 406.9288393 89502 303651550 651451 a-Alanine, conf. I
138405.4387 1.2130 -5.2630 3 406.9288393 89502 303651650 651551 a-Alanine, conf. I
138405.4388 1.2130 -6.5472 3 406.9288393 89502 303651650 651451 a-Alanine, conf. I
138439.2984 0.3680 -5.6140 3 135.5465219 89502 303361522 351619 a-Alanine, conf. I
138442.6396 0.8294 -5.2558 3 443.2034381 89502 303633231 633132 a-Alanine, conf. I
138442.6461 0.8294 -5.2558 3 443.2034381 89502 303633232 633133 a-Alanine, conf. I
138449.2039 2.8021 -5.6385 3 714.2392495 89502 303823548 823449 a-Alanine, conf. I
138461.5266 0.5380 -5.9100 3 241.3720279 89502 303462522 452619 a-Alanine, conf. I
138461.5278 0.5380 -5.9100 3 241.3720279 89502 303462521 452620 a-Alanine, conf. I
138461.5575 0.0325 -5.2686 3 56.7476147 89502 30324 816 23 815 a-Alanine, conf. I
138478.3913 0.0389 -4.9710 3 60.2322153 89502 30325 818 24 717 a-Alanine, conf. I
138478.9474 0.6582 -5.2251 3 323.8713357 89502 303591148 591049 a-Alanine, conf. I
138478.9474 0.6582 -6.4716 3 323.8713357 89502 303591148 591149 a-Alanine, conf. I
138478.9474 0.6582 -6.4716 3 323.8713357 89502 303591248 591049 a-Alanine, conf. I
138478.9474 0.6582 -5.2251 3 323.8713357 89502 303591248 591149 a-Alanine, conf. I
138526.3135 0.0527 -5.3563 3 67.9899153 89502 303251313 241312 a-Alanine, conf. I
138537.1879 0.0531 -5.3563 3 67.9901153 89502 303251312 241311 a-Alanine, conf. I
138552.1674 0.7257 -6.3782 3 402.7474345 89502 303573720 563819 a-Alanine, conf. I
138552.1674 0.7257 -6.3782 3 402.7474345 89502 303573721 563818 a-Alanine, conf. I
138561.5964 5.7415 -6.0559 3 962.1552579 89502 303963859 963760 a-Alanine, conf. I
138592.7788 23.9437 -6.5561 3 1233.8154663 89502 303B03773 B03674 a-Alanine, conf. I
138617.6541 0.9176 -6.1961 3 144.5917225 89502 303371621 371324 a-Alanine, conf. I
138627.6232 0.8997 -5.2359 3 364.4073375 89502 303621349 621250 a-Alanine, conf. I
138627.6232 0.8997 -6.5007 3 364.4073375 89502 303621349 621350 a-Alanine, conf. I
138627.6233 0.8997 -6.5007 3 364.4073375 89502 303621449 621250 a-Alanine, conf. I
138627.6233 0.8997 -5.2359 3 364.4073375 89502 303621449 621350 a-Alanine, conf. I
138685.8304 0.2580 -5.9851 3 184.4629255 89502 303421725 421428 a-Alanine, conf. I
138761.0061 0.3602 -5.1567 3 321.2604315 89502 303523121 523022 a-Alanine, conf. I
138761.0061 0.3602 -6.5554 3 321.2604315 89502 303523121 523023 a-Alanine, conf. I
138761.0061 0.3602 -6.5554 3 321.2604315 89502 303523122 523022 a-Alanine, conf. I
138761.0061 0.3602 -5.1567 3 321.2604315 89502 303523122 523023 a-Alanine, conf. I
138798.4523 0.6263 -5.6496 3 177.3244285 89502 30347 245 47 146 a-Alanine, conf. I
138798.4523 0.6263 -5.6496 3 177.3244285 89502 30347 345 47 246 a-Alanine, conf. I
138845.7464 0.5552 -5.9422 3 253.8281285 89502 303472622 462719 a-Alanine, conf. I
138845.7466 0.5552 -5.9422 3 253.8281285 89502 303472621 462720 a-Alanine, conf. I
138863.6502 1.3150 -5.3682 3 534.4881423 89502 303703337 703238 a-Alanine, conf. I
138863.9946 1.3148 -5.3682 3 534.4881423 89502 303703338 703239 a-Alanine, conf. I
138877.7582 0.1642 -5.6699 3 125.0187213 89502 303351323 341420 a-Alanine, conf. I
138885.4937 8.3523 -5.9873 3 918.5944573 89502 303953264 953165 a-Alanine, conf. I
138900.1183 0.0279 -5.1762 3 68.1827177 89502 30329 227 28 226 a-Alanine, conf. I
138900.1183 0.0279 -4.5913 3 68.1827177 89502 30329 227 28 326 a-Alanine, conf. I
138900.1183 0.0279 -4.5913 3 68.1827177 89502 30329 327 28 226 a-Alanine, conf. I
138900.1183 0.0279 -5.1762 3 68.1827177 89502 30329 327 28 326 a-Alanine, conf. I
138915.4170 1.8404 -6.6460 3 480.5876423 89502 303701852 701853 a-Alanine, conf. I
138915.4228 1.8404 -5.3320 3 480.5876423 89502 303701852 701753 a-Alanine, conf. I
138915.4880 1.8404 -5.3320 3 480.5876423 89502 303701952 701853 a-Alanine, conf. I
138915.4937 1.8404 -6.6460 3 480.5876423 89502 303701952 701753 a-Alanine, conf. I
138925.8960 8.3309 -5.9211 3 878.9952561 89502 303933063 932964 a-Alanine, conf. I
138967.5110 0.1253 -6.5711 3 84.6843177 89502 303291019 281117 a-Alanine, conf. I
139024.8021 0.4927 -5.6301 3 144.5781225 89502 303371621 361720 a-Alanine, conf. I
139056.1292 3.0449 -5.4709 3 591.7776465 89502 303772255 772156 a-Alanine, conf. I
139059.3015 3.0424 -5.4709 3 591.7776465 89502 303772355 772256 a-Alanine, conf. I
139098.8725 5.1667 -5.8940 3 869.6051549 89502 303913754 913655 a-Alanine, conf. I
139108.8630 0.0222 -6.0888 3 20.2203 93 89502 30315 610 14 311 a-Alanine, conf. I
139113.5811 0.7689 -5.2410 3 431.5771375 89502 303623230 623131 a-Alanine, conf. I
139113.5835 0.7689 -5.2410 3 431.5771375 89502 303623231 623132 a-Alanine, conf. I
139138.3806 0.7516 -6.4160 3 419.0745351 89502 303583820 573919 a-Alanine, conf. I
139138.3806 0.7516 -6.4160 3 419.0745351 89502 303583821 573918 a-Alanine, conf. I
139139.0076 0.3290 -5.1534 3 311.7262309 89502 303513120 513021 a-Alanine, conf. I
139139.0076 0.3290 -6.5474 3 311.7262309 89502 303513120 513022 a-Alanine, conf. I
139139.0076 0.3290 -6.5474 3 311.7262309 89502 303513121 513021 a-Alanine, conf. I
139139.0076 0.3290 -5.1534 3 311.7262309 89502 303513121 513022 a-Alanine, conf. I
139142.8130 0.0318 -6.0938 3 32.9977117 89502 30319 614 18 514 a-Alanine, conf. I
139145.2839 0.0377 -5.2693 3 61.6762153 89502 30325 917 24 916 a-Alanine, conf. I
139162.6928 1.9228 -5.4906 3 620.8852459 89502 303763442 763343 a-Alanine, conf. I
139167.7262 1.9184 -5.4906 3 620.8850459 89502 303763443 763344 a-Alanine, conf. I
139192.3463 0.0243 -5.9982 3 35.3011117 89502 30319 812 18 712 a-Alanine, conf. I
139193.9682 11.3058 -6.3108 3 1104.3381627 89502 303A43669 A43570 a-Alanine, conf. I
139205.1787 12.2181 -6.3066 3 1102.6739621 89502 303A34063 A33964 a-Alanine, conf. I
139207.2427 0.4673 -5.2483 3 271.3817333 89502 30355 847 55 748 a-Alanine, conf. I
139207.2427 0.4673 -6.4687 3 271.3817333 89502 30355 847 55 848 a-Alanine, conf. I
139207.2427 0.4673 -6.4687 3 271.3817333 89502 30355 947 55 748 a-Alanine, conf. I
139207.2427 0.4673 -5.2483 3 271.3817333 89502 30355 947 55 848 a-Alanine, conf. I
139218.5325 0.0265 -4.7521 3 65.9389165 89502 30327 522 26 621 a-Alanine, conf. I
139219.4154 0.0603 -5.3250 3 66.1489153 89502 303251214 241213 a-Alanine, conf. I
139219.7124 0.0265 -5.2240 3 65.9389165 89502 30327 622 26 621 a-Alanine, conf. I
139221.4750 0.0265 -5.2240 3 65.9388165 89502 30327 522 26 521 a-Alanine, conf. I
139222.6548 0.0265 -4.7521 3 65.9388165 89502 30327 622 26 521 a-Alanine, conf. I
139257.4532 12.8950 -6.1625 3 1018.6941603 89502 303A03367 A03268 a-Alanine, conf. I
139261.5287 0.5732 -5.9749 3 266.6226291 89502 303482721 472820 a-Alanine, conf. I
139261.5287 0.5732 -5.9749 3 266.6226291 89502 303482722 472819 a-Alanine, conf. I
139281.8888 0.4925 -5.3474 3 222.5141309 89502 30351 546 51 447 a-Alanine, conf. I
139281.8888 0.4925 -6.5438 3 222.5141309 89502 30351 546 51 547 a-Alanine, conf. I
139281.8888 0.4925 -6.5438 3 222.5141309 89502 30351 646 51 447 a-Alanine, conf. I
139281.8888 0.4925 -5.3474 3 222.5141309 89502 30351 646 51 547 a-Alanine, conf. I
139334.4511 0.0644 -5.3243 3 66.1513153 89502 303251213 241212 a-Alanine, conf. I
139343.7825 0.3745 -6.6368 3 91.4945183 89502 303301119 291217 a-Alanine, conf. I
139347.2243 6.7190 -6.5275 3 1227.0800657 89502 303A94169 A94070 a-Alanine, conf. I
139369.2118 0.7845 -6.4002 3 115.8585201 89502 303331518 331221 a-Alanine, conf. I
139415.8908 6.5712 -6.1903 3 1040.5735603 89502 303A03962 A03863 a-Alanine, conf. I
139488.7946 0.0074 -5.9293 3 29.7373 87 89502 3031414 0 1313 0 a-Alanine, conf. I
139488.7946 0.0074 -4.7677 3 29.7373 87 89502 3031414 0 1313 1 a-Alanine, conf. I
139488.7946 0.0074 -4.7677 3 29.7373 87 89502 3031414 1 1313 0 a-Alanine, conf. I
139488.7946 0.0074 -5.9293 3 29.7373 87 89502 3031414 1 1313 1 a-Alanine, conf. I
139492.9506 0.2996 -5.1515 3 302.3815303 89502 303503119 503020 a-Alanine, conf. I
139492.9506 0.2996 -6.5410 3 302.3815303 89502 303503119 503021 a-Alanine, conf. I
139492.9506 0.2996 -6.5410 3 302.3815303 89502 303503120 503020 a-Alanine, conf. I
139492.9506 0.2996 -5.1515 3 302.3815303 89502 303503120 503021 a-Alanine, conf. I
139554.1480 7.5844 -5.9173 3 878.9991561 89502 303933163 933064 a-Alanine, conf. I
139566.2809 0.6913 -5.9191 3 165.4318279 89502 30346 145 46 046 a-Alanine, conf. I
139566.2809 0.6913 -5.9191 3 165.4318279 89502 30346 245 46 146 a-Alanine, conf. I
139572.7334 0.6931 -5.8497 3 138.6330225 89502 303371325 361422 a-Alanine, conf. I
139595.8332 4.5621 -5.8909 3 869.5854549 89502 303913755 913656 a-Alanine, conf. I
139628.2396 3.4428 -5.5154 3 624.7737477 89502 303792356 792257 a-Alanine, conf. I
139634.7693 3.4373 -5.5154 3 624.7737477 89502 303792456 792357 a-Alanine, conf. I
139651.0127 0.0900 -5.2673 3 57.5610147 89502 30324 915 23 914 a-Alanine, conf. I
139663.8751 17.4088 -6.3491 3 1123.7839633 89502 303A53570 A53471 a-Alanine, conf. I
139688.4032 6.7595 -6.0206 3 944.1951573 89502 303953857 953758 a-Alanine, conf. I
139703.9289 0.5918 -6.0080 3 279.7553297 89502 303492821 482920 a-Alanine, conf. I
139703.9289 0.5918 -6.0080 3 279.7553297 89502 303492822 482919 a-Alanine, conf. I
139713.5536 7.2311 -5.8524 3 840.2131549 89502 303912962 912863 a-Alanine, conf. I
139726.6967 0.6631 -6.4712 3 275.7973315 89502 303521735 512032 a-Alanine, conf. I
139729.2668 0.7787 -6.4545 3 435.7380357 89502 303593920 584019 a-Alanine, conf. I
139729.2668 0.7787 -6.4545 3 435.7380357 89502 303593921 584018 a-Alanine, conf. I
139744.0449 0.7126 -6.6631 3 420.1446369 89502 303613230 613130 a-Alanine, conf. I
139744.0450 0.7126 -5.2273 3 420.1446369 89502 303613229 613130 a-Alanine, conf. I
139744.0459 0.7126 -6.6631 3 420.1446369 89502 303613229 613131 a-Alanine, conf. I
139744.0459 0.7126 -5.2273 3 420.1446369 89502 303613230 613131 a-Alanine, conf. I
139761.9333 1.4110 -6.5767 3 434.7962405 89502 303671651 671652 a-Alanine, conf. I
139761.9336 1.4110 -5.2841 3 434.7962405 89502 303671651 671552 a-Alanine, conf. I
139761.9387 1.4110 -5.2841 3 434.7962405 89502 303671751 671652 a-Alanine, conf. I
139761.9391 1.4110 -6.5767 3 434.7962405 89502 303671751 671552 a-Alanine, conf. I
139768.5921 9.0108 -6.1579 3 1021.8855597 89502 303993960 993861 a-Alanine, conf. I
139772.0934 1.2199 -5.3474 3 521.5199417 89502 303693336 693237 a-Alanine, conf. I
139772.2378 1.2198 -5.3474 3 521.5199417 89502 303693337 693238 a-Alanine, conf. I
139824.1574 0.2722 -5.1511 3 293.2260297 89502 303493118 493019 a-Alanine, conf. I
139824.1574 0.2722 -6.5362 3 293.2260297 89502 303493118 493020 a-Alanine, conf. I
139824.1574 0.2722 -6.5362 3 293.2260297 89502 303493119 493019 a-Alanine, conf. I
139824.1574 0.2722 -5.1511 3 293.2260297 89502 303493119 493020 a-Alanine, conf. I
139824.1696 1.0854 -6.4503 3 111.1945201 89502 303331221 33 924 a-Alanine, conf. I
139847.6540 0.5779 -5.2272 3 309.2325351 89502 303581048 58 949 a-Alanine, conf. I
139847.6540 0.5779 -6.4641 3 309.2325351 89502 303581048 581049 a-Alanine, conf. I
139847.6540 0.5779 -6.4641 3 309.2325351 89502 303581148 58 949 a-Alanine, conf. I
139847.6540 0.5779 -5.2272 3 309.2325351 89502 303581148 581049 a-Alanine, conf. I
139886.6214 2.6103 -5.6079 3 698.9500489 89502 303813546 813447 a-Alanine, conf. I
139913.5159 2.5839 -5.6078 3 698.9489489 89502 303813547 813448 a-Alanine, conf. I
139928.7713 1.8118 -6.1501 3 177.8278255 89502 303421429 411526 a-Alanine, conf. I
139944.9476 3.5986 -5.7421 3 781.8535519 89502 303863650 863551 a-Alanine, conf. I
139969.5794 0.0644 -5.2968 3 64.5010153 89502 303251115 241114 a-Alanine, conf. I
139973.8786 2.1065 -5.3636 3 510.6118435 89502 303721953 721854 a-Alanine, conf. I
139974.0266 2.1064 -5.3636 3 510.6118435 89502 303722053 721954 a-Alanine, conf. I
140047.6570 0.5254 -6.6284 3 90.3062177 89502 303291415 291118 a-Alanine, conf. I
140058.1825 6.8368 -5.8503 3 840.2151549 89502 303913062 912963 a-Alanine, conf. I
140067.1611 3.8863 -5.5632 3 658.6070489 89502 303812457 812358 a-Alanine, conf. I
140068.9771 3.4619 -5.7413 3 781.8487519 89502 303863651 863552 a-Alanine, conf. I
140080.3614 3.8745 -5.5631 3 658.6071489 89502 303812557 812458 a-Alanine, conf. I
140133.8653 0.2466 -5.1524 3 284.2593291 89502 303483117 483018 a-Alanine, conf. I
140133.8653 0.2466 -6.5331 3 284.2593291 89502 303483117 483019 a-Alanine, conf. I
140133.8653 0.2466 -6.5331 3 284.2593291 89502 303483118 483018 a-Alanine, conf. I
140133.8653 0.2466 -5.1524 3 284.2593291 89502 303483118 483019 a-Alanine, conf. I
140135.0910 12.0625 -6.5863 3 1259.4150669 89502 303B13973 B13874 a-Alanine, conf. I
140163.9486 1.0595 -5.2492 3 390.9591387 89502 303641450 641351 a-Alanine, conf. I
140163.9486 1.0595 -6.5221 3 390.9591387 89502 303641450 641451 a-Alanine, conf. I
140163.9489 1.0595 -5.2492 3 390.9591387 89502 303641550 641451 a-Alanine, conf. I
140163.9490 1.0595 -6.5221 3 390.9591387 89502 303641550 641351 a-Alanine, conf. I
140168.9458 0.6110 -6.0416 3 293.2260303 89502 303502921 493020 a-Alanine, conf. I
140168.9458 0.6110 -6.0416 3 293.2260303 89502 303502922 493019 a-Alanine, conf. I
140171.9980 0.7123 -6.0382 3 176.4456249 89502 303411724 411427 a-Alanine, conf. I
140178.0337 0.7802 -5.2293 3 349.0979369 89502 303611249 611150 a-Alanine, conf. I
140178.0337 0.7802 -6.4837 3 349.0979369 89502 303611249 611250 a-Alanine, conf. I
140178.0337 0.7802 -6.4837 3 349.0979369 89502 303611349 611150 a-Alanine, conf. I
140178.0337 0.7802 -5.2293 3 349.0979369 89502 303611349 611250 a-Alanine, conf. I
140204.4695 6.3371 -5.7876 3 802.2456537 89502 303892861 892762 a-Alanine, conf. I
140216.6477 0.5450 -5.4104 3 209.6879303 89502 30350 446 50 347 a-Alanine, conf. I
140216.6477 0.5450 -6.5991 3 209.6879303 89502 30350 446 50 447 a-Alanine, conf. I
140216.6477 0.5450 -6.5991 3 209.6879303 89502 30350 546 50 347 a-Alanine, conf. I
140216.6477 0.5450 -5.4104 3 209.6879303 89502 30350 546 50 447 a-Alanine, conf. I
140223.5612 0.0178 -5.0989 3 36.4838117 89502 30319 911 18 810 a-Alanine, conf. I
140226.4399 0.0561 -5.2760 3 63.0346153 89502 303251016 241015 a-Alanine, conf. I
140227.0076 0.0046 -5.9440 3 30.3293 93 89502 3031513 2 1412 2 a-Alanine, conf. I
140227.0076 0.0046 -4.8095 3 30.3293 93 89502 3031513 2 1412 3 a-Alanine, conf. I
140227.0076 0.0046 -4.8095 3 30.3293 93 89502 3031513 3 1412 2 a-Alanine, conf. I
140227.0076 0.0046 -5.9440 3 30.3293 93 89502 3031513 3 1412 3 a-Alanine, conf. I
140249.9420 10.8239 -6.2294 3 1061.1262615 89502 303A23568 A23469 a-Alanine, conf. I
140257.4099 7.2383 -6.3324 3 1122.0620627 89502 303A44065 A43966 a-Alanine, conf. I
140317.6953 1.7773 -5.4650 3 606.7609453 89502 303753441 753342 a-Alanine, conf. I
140319.9828 1.7754 -5.4650 3 606.7609453 89502 303753442 753343 a-Alanine, conf. I
140324.2288 0.8071 -6.4935 3 452.7380363 89502 303604020 594119 a-Alanine, conf. I
140324.2288 0.8071 -6.4935 3 452.7380363 89502 303604021 594118 a-Alanine, conf. I
140331.7716 0.0381 -5.1484 3 70.0466183 89502 30330 129 29 128 a-Alanine, conf. I
140331.7716 0.0381 -4.5383 3 70.0466183 89502 30330 129 29 228 a-Alanine, conf. I
140331.7716 0.0381 -4.5383 3 70.0466183 89502 30330 229 29 128 a-Alanine, conf. I
140331.7716 0.0381 -5.1484 3 70.0466183 89502 30330 229 29 228 a-Alanine, conf. I
140336.6322 0.6600 -5.2145 3 408.9054363 89502 303603228 603129 a-Alanine, conf. I
140336.6322 0.6600 -6.6447 3 408.9054363 89502 303603229 603129 a-Alanine, conf. I
140336.6325 0.6600 -6.6447 3 408.9054363 89502 303603228 603130 a-Alanine, conf. I
140336.6325 0.6600 -5.2145 3 408.9054363 89502 303603229 603130 a-Alanine, conf. I
140337.4473 2.5686 -6.5726 3 326.6991345 89502 303571740 562037 a-Alanine, conf. I
140338.9920 0.4648 -5.2699 3 257.6395327 89502 30354 747 54 648 a-Alanine, conf. I
140338.9920 0.4648 -6.4816 3 257.6395327 89502 30354 747 54 748 a-Alanine, conf. I
140338.9920 0.4648 -6.4816 3 257.6395327 89502 30354 847 54 648 a-Alanine, conf. I
140338.9920 0.4648 -5.2699 3 257.6395327 89502 30354 847 54 748 a-Alanine, conf. I
140361.4411 4.3834 -5.6143 3 693.2743501 89502 303832558 832459 a-Alanine, conf. I
140387.6652 4.3586 -5.6141 3 693.2745501 89502 303832658 832559 a-Alanine, conf. I
140390.1677 6.1336 -5.7864 3 802.2467537 89502 303892961 892862 a-Alanine, conf. I
140423.2349 0.2229 -5.1553 3 275.4809285 89502 303473116 473017 a-Alanine, conf. I
140423.2349 0.2229 -6.5319 3 275.4809285 89502 303473116 473018 a-Alanine, conf. I
140423.2349 0.2229 -6.5319 3 275.4809285 89502 303473117 473017 a-Alanine, conf. I
140423.2349 0.2229 -5.1553 3 275.4809285 89502 303473117 473018 a-Alanine, conf. I
140443.0461 0.3821 -5.7363 3 131.7032219 89502 303361324 351421 a-Alanine, conf. I
140452.9648 5.5881 -5.7264 3 765.0973525 89502 303872760 872661 a-Alanine, conf. I
140496.4749 4.9452 -5.6687 3 728.7723513 89502 303852659 852560 a-Alanine, conf. I
140502.1302 0.0247 -6.1663 3 31.6431117 89502 30319 415 18 315 a-Alanine, conf. I
140547.6911 4.8942 -5.6684 3 728.7726513 89502 303852759 852660 a-Alanine, conf. I
140551.3165 5.4853 -5.7258 3 765.0979525 89502 303872860 872761 a-Alanine, conf. I
140577.3439 0.0238 -6.1658 3 31.6435117 89502 30319 515 18 415 a-Alanine, conf. I
140582.4104 0.0266 -4.6765 3 68.4290171 89502 30328 424 27 523 a-Alanine, conf. I
140582.4309 0.0266 -5.1971 3 68.4290171 89502 30328 524 27 523 a-Alanine, conf. I
140582.4653 0.0266 -5.1971 3 68.4290171 89502 30328 424 27 423 a-Alanine, conf. I
140582.4858 0.0266 -4.6765 3 68.4290171 89502 30328 524 27 423 a-Alanine, conf. I
140624.8345 1.1326 -5.3277 3 508.7486411 89502 303683335 683236 a-Alanine, conf. I
140624.8936 1.1326 -5.3277 3 508.7486411 89502 303683336 683237 a-Alanine, conf. I
140653.3027 0.6309 -6.0757 3 307.0345309 89502 303513021 503120 a-Alanine, conf. I
140653.3027 0.6309 -6.0757 3 307.0345309 89502 303513022 503119 a-Alanine, conf. I
140664.5461 5.4655 -6.0146 3 944.1561573 89502 303953858 953759 a-Alanine, conf. I
140693.3583 0.2011 -5.1601 3 266.8906279 89502 303463115 463016 a-Alanine, conf. I
140693.3583 0.2011 -6.5326 3 266.8906279 89502 303463115 463017 a-Alanine, conf. I
140693.3583 0.2011 -6.5326 3 266.8906279 89502 303463116 463016 a-Alanine, conf. I
140693.3583 0.2011 -5.1601 3 266.8906279 89502 303463116 463017 a-Alanine, conf. I
140717.6049 0.6523 -5.5563 3 112.3240201 89502 303331320 321419 a-Alanine, conf. I
140743.9066 0.0338 -4.9187 3 64.8513159 89502 30326 719 25 818 a-Alanine, conf. I
140752.8185 0.1109 -5.0641 3 66.3176159 89502 30326 818 25 917 a-Alanine, conf. I
140786.6392 0.0325 -6.2392 3 19.1491 93 89502 30315 411 14 312 a-Alanine, conf. I
140825.2223 0.0889 -5.2913 3 64.5246153 89502 303251114 241113 a-Alanine, conf. I
140845.8049 18.3732 -6.5736 3 1252.5750663 89502 303B04268 B04169 a-Alanine, conf. I
140893.7034 0.6109 -5.2029 3 397.8589357 89502 303593227 593128 a-Alanine, conf. I
140893.7034 0.6109 -6.6276 3 397.8589357 89502 303593228 593128 a-Alanine, conf. I
140893.7035 0.6109 -6.6276 3 397.8589357 89502 303593227 593129 a-Alanine, conf. I
140893.7035 0.6109 -5.2029 3 397.8589357 89502 303593228 593129 a-Alanine, conf. I
140922.7378 0.8369 -6.5330 3 470.0744369 89502 303614120 604219 a-Alanine, conf. I
140922.7378 0.8369 -6.5330 3 470.0744369 89502 303614121 604218 a-Alanine, conf. I
140931.9405 2.4005 -5.3987 3 541.4851447 89502 303742054 741955 a-Alanine, conf. I
140932.2692 2.4003 -5.3987 3 541.4851447 89502 303742154 742055 a-Alanine, conf. I
140938.2817 0.0097 -5.9676 3 36.4838117 89502 30319 910 18 810 a-Alanine, conf. I
140939.0685 0.0047 -4.8554 3 31.2773 99 89502 3031612 5 1511 4 a-Alanine, conf. I
140939.0704 0.0047 -5.9551 3 31.2773 99 89502 3031612 4 1511 4 a-Alanine, conf. I
140939.0819 0.0047 -5.9551 3 31.2773 99 89502 3031612 5 1511 5 a-Alanine, conf. I
140939.0837 0.0047 -4.8554 3 31.2773 99 89502 3031612 4 1511 5 a-Alanine, conf. I
140945.2646 0.1813 -5.1669 3 258.4880273 89502 303453114 453015 a-Alanine, conf. I
140945.2646 0.1813 -6.5355 3 258.4880273 89502 303453114 453016 a-Alanine, conf. I
140945.2646 0.1813 -6.5355 3 258.4880273 89502 303453115 453015 a-Alanine, conf. I
140945.2646 0.1813 -5.1669 3 258.4880273 89502 303453115 453016 a-Alanine, conf. I
140947.9379 2.6410 -6.2939 3 213.0371279 89502 303461532 451629 a-Alanine, conf. I
140997.5819 12.5609 -6.4989 3 1213.4305657 89502 303A93872 A93773 a-Alanine, conf. I
140997.7565 3.3436 -6.4136 3 251.3675303 89502 303501635 491732 a-Alanine, conf. I
141032.3013 1.6309 -6.6104 3 463.5204417 89502 303691752 691753 a-Alanine, conf. I
141032.3023 1.6309 -5.3091 3 463.5204417 89502 303691752 691653 a-Alanine, conf. I
141032.3146 1.6308 -5.3091 3 463.5204417 89502 303691852 691753 a-Alanine, conf. I
141032.3155 1.6308 -6.6104 3 463.5204417 89502 303691852 691653 a-Alanine, conf. I
141044.9759 10.8537 -6.0807 3 977.0819591 89502 303983266 983167 a-Alanine, conf. I
141082.9941 0.8877 -6.5807 3 97.4623189 89502 303311120 31 823 a-Alanine, conf. I
141087.6635 0.7816 -5.9750 3 192.5935261 89502 303431726 431429 a-Alanine, conf. I
141093.3349 0.6058 -5.5022 3 197.0865297 89502 30349 346 49 247 a-Alanine, conf. I
141093.3349 0.6058 -5.5022 3 197.0865297 89502 30349 446 49 347 a-Alanine, conf. I
141129.1389 0.5225 -5.2346 3 294.8055345 89502 30357 948 57 849 a-Alanine, conf. I
141129.1389 0.5225 -6.4623 3 294.8055345 89502 30357 948 57 949 a-Alanine, conf. I
141129.1389 0.5225 -6.4623 3 294.8055345 89502 303571048 57 849 a-Alanine, conf. I
141129.1389 0.5225 -5.2346 3 294.8055345 89502 303571048 57 949 a-Alanine, conf. I
141147.5140 0.5750 -5.5934 3 135.5411219 89502 303361521 351620 a-Alanine, conf. I
141154.2886 0.6515 -6.1102 3 321.1806315 89502 303523121 513220 a-Alanine, conf. I
141154.2886 0.6515 -6.1102 3 321.1806315 89502 303523122 513219 a-Alanine, conf. I
141179.9266 0.1638 -5.1760 3 250.2728267 89502 303443113 443014 a-Alanine, conf. I
141179.9266 0.1638 -6.5408 3 250.2728267 89502 303443113 443015 a-Alanine, conf. I
141179.9266 0.1638 -6.5408 3 250.2728267 89502 303443114 443014 a-Alanine, conf. I
141179.9266 0.1638 -5.1760 3 250.2728267 89502 303443114 443015 a-Alanine, conf. I
141184.7579 7.5931 -6.4814 3 1206.6062651 89502 303A84168 A84069 a-Alanine, conf. I
141203.4106 0.0277 -5.2386 3 64.8513159 89502 30326 819 25 818 a-Alanine, conf. I
141213.9785 4.5616 -5.8550 3 852.5702543 89502 303903753 903654 a-Alanine, conf. I
141214.1720 0.1760 -6.6062 3 81.2059171 89502 303281217 28 920 a-Alanine, conf. I
141268.5964 2.3984 -5.5783 3 683.8626483 89502 303803545 803446 a-Alanine, conf. I
141272.7108 10.1219 -6.1503 3 1018.7086603 89502 303A03467 A03368 a-Alanine, conf. I
141281.5084 2.3859 -5.5783 3 683.8621483 89502 303803546 803447 a-Alanine, conf. I
141398.1375 1.6464 -5.4404 3 592.8366447 89502 303743440 743341 a-Alanine, conf. I
141398.2653 0.1487 -5.1877 3 242.2446261 89502 303433112 433013 a-Alanine, conf. I
141398.2653 0.1487 -6.5487 3 242.2446261 89502 303433112 433014 a-Alanine, conf. I
141398.2653 0.1487 -6.5487 3 242.2446261 89502 303433113 433013 a-Alanine, conf. I
141398.2653 0.1487 -5.1877 3 242.2446261 89502 303433113 433014 a-Alanine, conf. I
141399.1555 1.6456 -5.4404 3 592.8366447 89502 303743441 743342 a-Alanine, conf. I
141400.3289 0.4879 -5.3012 3 244.1159321 89502 30353 647 53 548 a-Alanine, conf. I
141400.3289 0.4879 -6.5047 3 244.1159321 89502 30353 647 53 648 a-Alanine, conf. I
141400.3289 0.4879 -6.5047 3 244.1159321 89502 30353 747 53 548 a-Alanine, conf. I
141400.3289 0.4879 -5.3012 3 244.1159321 89502 30353 747 53 648 a-Alanine, conf. I
141409.6101 0.0614 -6.3900 3 107.8648159 89502 3032625 1 2525 0 a-Alanine, conf. I
141409.6101 0.0614 -6.3900 3 107.8648159 89502 3032625 2 2525 1 a-Alanine, conf. I
141417.4113 0.5648 -5.1922 3 387.0047351 89502 303583226 583127 a-Alanine, conf. I
141417.4113 0.5648 -6.6117 3 387.0047351 89502 303583227 583127 a-Alanine, conf. I
141417.4114 0.5648 -6.6117 3 387.0047351 89502 303583226 583128 a-Alanine, conf. I
141417.4114 0.5648 -5.1922 3 387.0047351 89502 303583227 583128 a-Alanine, conf. I
141426.0562 1.0522 -5.3090 3 496.1735405 89502 303673334 673235 a-Alanine, conf. I
141426.0799 1.0522 -5.3090 3 496.1735405 89502 303673335 673236 a-Alanine, conf. I
141479.1110 4.2391 -5.8534 3 852.5599543 89502 303903754 903655 a-Alanine, conf. I
141494.9387 0.0536 -6.0891 3 104.0327159 89502 3032624 2 2524 1 a-Alanine, conf. I
141494.9387 0.0536 -6.0891 3 104.0327159 89502 3032624 3 2524 2 a-Alanine, conf. I
141524.3242 0.8682 -6.5732 3 487.7470375 89502 303624220 614319 a-Alanine, conf. I
141524.3242 0.8682 -6.5732 3 487.7470375 89502 303624221 614318 a-Alanine, conf. I
141560.4907 3.8335 -6.5099 3 292.7647327 89502 303541738 531835 a-Alanine, conf. I
141573.8062 0.0061 -4.9094 3 32.5929105 89502 3031711 7 1610 6 a-Alanine, conf. I
141574.1198 0.0061 -5.9622 3 32.5929105 89502 3031711 6 1610 6 a-Alanine, conf. I
141575.6679 0.0061 -5.9622 3 32.5928105 89502 3031711 7 1610 7 a-Alanine, conf. I
141575.9814 0.0061 -4.9094 3 32.5928105 89502 3031711 6 1610 7 a-Alanine, conf. I
141588.8318 6.4067 -6.1468 3 1021.8117597 89502 303993961 993862 a-Alanine, conf. I
141592.3652 0.0467 -5.9136 3 100.3599159 89502 3032623 3 2523 2 a-Alanine, conf. I
141592.3652 0.0467 -5.9136 3 100.3599159 89502 3032623 4 2523 3 a-Alanine, conf. I
141601.1544 0.1364 -5.2022 3 234.4031255 89502 303423111 423012 a-Alanine, conf. I
141601.1544 0.1364 -6.5596 3 234.4031255 89502 303423111 423013 a-Alanine, conf. I
141601.1544 0.1364 -6.5596 3 234.4031255 89502 303423112 423012 a-Alanine, conf. I
141601.1544 0.1364 -5.2022 3 234.4031255 89502 303423112 423013 a-Alanine, conf. I
141621.5055 1.2393 -6.5481 3 418.3724399 89502 303661551 661552 a-Alanine, conf. I
141621.5056 1.2393 -5.2670 3 418.3724399 89502 303661551 661452 a-Alanine, conf. I
141621.5064 1.2393 -5.2670 3 418.3724399 89502 303661651 661552 a-Alanine, conf. I
141621.5065 1.2393 -6.5481 3 418.3724399 89502 303661651 661452 a-Alanine, conf. I
141623.4313 3.2638 -5.7082 3 765.7971513 89502 303853649 853550 a-Alanine, conf. I
141627.5171 0.6795 -5.2266 3 333.9952363 89502 303601149 601050 a-Alanine, conf. I
141627.5171 0.6795 -6.4711 3 333.9952363 89502 303601149 601150 a-Alanine, conf. I
141627.5171 0.6795 -6.4711 3 333.9952363 89502 303601249 601050 a-Alanine, conf. I
141627.5171 0.6795 -5.2266 3 333.9952363 89502 303601249 601150 a-Alanine, conf. I
141669.6390 0.6728 -6.1453 3 335.6641321 89502 303533221 523320 a-Alanine, conf. I
141669.6390 0.6728 -6.1453 3 335.6641321 89502 303533222 523319 a-Alanine, conf. I
141685.1377 0.0275 -5.2352 3 64.8199159 89502 30326 719 25 718 a-Alanine, conf. I
141686.2067 3.1950 -5.7078 3 765.7947513 89502 303853650 853551 a-Alanine, conf. I
141704.2067 0.0408 -5.7896 3 96.8469159 89502 3032622 4 2522 3 a-Alanine, conf. I
141704.2067 0.0408 -5.7896 3 96.8469159 89502 3032622 5 2522 4 a-Alanine, conf. I
141710.4735 0.0927 -5.5472 3 30.9243111 89502 30318 711 17 612 a-Alanine, conf. I
141759.9525 0.0565 -5.1211 3 71.7277189 89502 30331 031 30 030 a-Alanine, conf. I
141759.9525 0.0565 -4.4901 3 71.7277189 89502 30331 031 30 130 a-Alanine, conf. I
141759.9525 0.0565 -4.4901 3 71.7277189 89502 30331 131 30 030 a-Alanine, conf. I
141759.9525 0.0565 -5.1211 3 71.7277189 89502 30331 131 30 130 a-Alanine, conf. I
141784.5358 2.7251 -5.4372 3 573.2047459 89502 303762155 762056 a-Alanine, conf. I
141785.2509 2.7246 -5.4372 3 573.2047459 89502 303762255 762156 a-Alanine, conf. I
141789.4244 0.1272 -5.2201 3 226.7480249 89502 303413110 413011 a-Alanine, conf. I
141789.4244 0.1272 -6.5740 3 226.7480249 89502 303413110 413012 a-Alanine, conf. I
141789.4244 0.1272 -6.5740 3 226.7480249 89502 303413111 413011 a-Alanine, conf. I
141789.4244 0.1272 -5.2201 3 226.7480249 89502 303413111 413012 a-Alanine, conf. I
141804.0688 0.9221 -5.2388 3 375.1905381 89502 303631350 631251 a-Alanine, conf. I
141804.0688 0.9221 -6.5010 3 375.1905381 89502 303631350 631351 a-Alanine, conf. I
141804.0688 0.9221 -6.5010 3 375.1905381 89502 303631450 631251 a-Alanine, conf. I
141804.0688 0.9221 -5.2388 3 375.1905381 89502 303631450 631351 a-Alanine, conf. I
141807.4769 0.0190 -6.2676 3 30.1426117 89502 30319 316 18 216 a-Alanine, conf. I
141812.1425 0.0190 -6.2675 3 30.1426117 89502 30319 416 18 316 a-Alanine, conf. I
141833.3925 0.0363 -5.6940 3 93.4943159 89502 3032621 5 2521 4 a-Alanine, conf. I
141833.3925 0.0363 -5.6940 3 93.4943159 89502 3032621 6 2521 5 a-Alanine, conf. I
141903.2151 0.2471 -5.2077 3 72.5728165 89502 30327 918 261017 a-Alanine, conf. I
141909.7276 0.5215 -5.1827 3 376.3421345 89502 303573225 573126 a-Alanine, conf. I
141909.7276 0.5215 -6.5970 3 376.3421345 89502 303573226 573126 a-Alanine, conf. I
141909.7277 0.5215 -6.5970 3 376.3421345 89502 303573225 573127 a-Alanine, conf. I
141909.7277 0.5215 -5.1827 3 376.3421345 89502 303573226 573127 a-Alanine, conf. I
141915.7794 0.6714 -5.6458 3 184.7115291 89502 30348 246 48 147 a-Alanine, conf. I
141915.7794 0.6714 -5.6458 3 184.7115291 89502 30348 346 48 247 a-Alanine, conf. I
141937.2654 0.0075 -4.9802 3 34.2998111 89502 3031810 9 17 9 8 a-Alanine, conf. I
141959.7112 0.0076 -5.9653 3 34.2998111 89502 3031810 8 17 9 8 a-Alanine, conf. I
141963.8656 0.1212 -5.2418 3 219.2791243 89502 3034031 9 403010 a-Alanine, conf. I
141963.8656 0.1212 -6.5922 3 219.2791243 89502 3034031 9 403011 a-Alanine, conf. I
141963.8656 0.1212 -6.5922 3 219.2791243 89502 303403110 403010 a-Alanine, conf. I
141963.8656 0.1212 -5.2418 3 219.2791243 89502 303403110 403011 a-Alanine, conf. I
141983.6803 0.0337 -5.6166 3 90.3029159 89502 3032620 6 2520 5 a-Alanine, conf. I
141983.6803 0.0337 -5.6166 3 90.3029159 89502 3032620 7 2520 6 a-Alanine, conf. I
141991.2627 0.0271 -4.6123 3 70.7182177 89502 30329 326 28 425 a-Alanine, conf. I
141991.2629 0.0271 -5.1699 3 70.7182177 89502 30329 426 28 425 a-Alanine, conf. I
141991.2634 0.0271 -5.1699 3 70.7182177 89502 30329 326 28 325 a-Alanine, conf. I
141991.2636 0.0271 -4.6123 3 70.7182177 89502 30329 426 28 325 a-Alanine, conf. I
142042.0766 0.0079 -5.9649 3 34.2963111 89502 3031810 9 17 9 9 a-Alanine, conf. I
142064.5224 0.0081 -4.9796 3 34.2963111 89502 3031810 8 17 9 9 a-Alanine, conf. I
142082.6120 12.4771 -6.4125 3 1168.2284645 89502 303A73771 A73672 a-Alanine, conf. I
142088.9219 0.0858 -5.8025 3 26.7831105 89502 30317 611 16 512 a-Alanine, conf. I
142125.2320 0.1185 -5.2681 3 211.9960237 89502 3033931 8 3930 9 a-Alanine, conf. I
142125.2320 0.1185 -6.6153 3 211.9960237 89502 3033931 8 393010 a-Alanine, conf. I
142125.2320 0.1185 -6.6153 3 211.9960237 89502 3033931 9 3930 9 a-Alanine, conf. I
142125.2320 0.1185 -5.2681 3 211.9960237 89502 3033931 9 393010 a-Alanine, conf. I
142128.5687 0.9011 -6.6140 3 505.7557381 89502 303634320 624419 a-Alanine, conf. I
142128.5687 0.9011 -6.6140 3 505.7557381 89502 303634321 624418 a-Alanine, conf. I
142144.6416 0.0326 -4.9086 3 64.8199159 89502 30326 819 25 718 a-Alanine, conf. I
142154.1337 5.8458 -5.9777 3 926.3871567 89502 303943856 943757 a-Alanine, conf. I
142159.9749 0.0330 -5.5518 3 87.2736159 89502 3032619 7 2519 6 a-Alanine, conf. I
142159.9749 0.0330 -5.5518 3 87.2736159 89502 3032619 8 2519 7 a-Alanine, conf. I
142172.3834 13.5557 -6.4076 3 1166.3969639 89502 303A64165 A64066 a-Alanine, conf. I
142179.4518 0.9779 -5.2912 3 483.7939399 89502 303663333 663234 a-Alanine, conf. I
142179.4611 0.9779 -5.2912 3 483.7939399 89502 303663334 663235 a-Alanine, conf. I
142191.4826 9.3118 -6.0738 3 977.0896591 89502 303983366 983267 a-Alanine, conf. I
142197.4466 0.6948 -6.1808 3 350.4849327 89502 303543321 533420 a-Alanine, conf. I
142197.4466 0.6948 -6.1808 3 350.4849327 89502 303543322 533419 a-Alanine, conf. I
142213.2727 1.8742 -6.6480 3 493.0989429 89502 303711853 711854 a-Alanine, conf. I
142213.2752 1.8742 -5.3379 3 493.0989429 89502 303711853 711754 a-Alanine, conf. I
142213.3042 1.8742 -5.3379 3 493.0989429 89502 303711953 711854 a-Alanine, conf. I
142213.3067 1.8742 -6.6480 3 493.0989429 89502 303711953 711754 a-Alanine, conf. I
142274.2430 0.1190 -5.3001 3 204.8984231 89502 3033831 7 3830 8 a-Alanine, conf. I
142274.2430 0.1190 -6.6440 3 204.8984231 89502 3033831 7 3830 9 a-Alanine, conf. I
142274.2430 0.1190 -6.6440 3 204.8984231 89502 3033831 8 3830 8 a-Alanine, conf. I
142274.2430 0.1190 -5.3001 3 204.8984231 89502 3033831 8 3830 9 a-Alanine, conf. I
142300.0900 14.3508 -6.2575 3 1080.1707621 89502 303A33469 A33370 a-Alanine, conf. I
142302.6257 7.4795 -6.6367 3 1294.1899675 89502 303B24271 B24172 a-Alanine, conf. I
142324.2977 9.3060 -6.0041 3 936.2698579 89502 303963165 963066 a-Alanine, conf. I
142330.5207 0.4954 -5.2482 3 280.5927339 89502 30356 848 56 749 a-Alanine, conf. I
142330.5207 0.4954 -6.4671 3 280.5927339 89502 30356 848 56 849 a-Alanine, conf. I
142330.5207 0.4954 -6.4671 3 280.5927339 89502 30356 948 56 749 a-Alanine, conf. I
142330.5207 0.4954 -5.2482 3 280.5927339 89502 30356 948 56 849 a-Alanine, conf. I
142368.8137 0.0345 -5.4964 3 84.4075159 89502 3032618 8 2518 7 a-Alanine, conf. I
142368.8137 0.0345 -5.4964 3 84.4075159 89502 3032618 9 2518 8 a-Alanine, conf. I
142372.4652 0.4808 -5.1743 3 365.8708339 89502 303563224 563125 a-Alanine, conf. I
142372.4652 0.4808 -6.5836 3 365.8708339 89502 303563224 563126 a-Alanine, conf. I
142372.4652 0.4808 -6.5836 3 365.8708339 89502 303563225 563125 a-Alanine, conf. I
142372.4652 0.4808 -5.1743 3 365.8708339 89502 303563225 563126 a-Alanine, conf. I
142396.3524 0.5305 -5.3455 3 230.8131315 89502 30352 547 52 448 a-Alanine, conf. I
142396.3524 0.5305 -6.5410 3 230.8131315 89502 30352 547 52 548 a-Alanine, conf. I
142396.3524 0.5305 -6.5410 3 230.8131315 89502 30352 647 52 448 a-Alanine, conf. I
142396.3524 0.5305 -5.3455 3 230.8131315 89502 30352 647 52 548 a-Alanine, conf. I
142402.7031 19.3699 -6.4529 3 1188.2243651 89502 303A83672 A83573 a-Alanine, conf. I
142410.8271 1.5278 -5.4169 3 579.1112441 89502 303733439 733340 a-Alanine, conf. I
142411.2707 1.5274 -5.4169 3 579.1112441 89502 303733440 733341 a-Alanine, conf. I
142411.5865 0.1223 -5.3391 3 197.9862225 89502 3033731 6 3730 7 a-Alanine, conf. I
142411.5865 0.1223 -5.3391 3 197.9862225 89502 3033731 7 3730 8 a-Alanine, conf. I
142419.5244 0.0283 -4.7953 3 67.8334165 89502 30327 621 26 720 a-Alanine, conf. I
142428.4803 7.2991 -6.2870 3 1102.5413621 89502 303A34064 A33965 a-Alanine, conf. I
142438.1630 0.0284 -5.2143 3 67.8334165 89502 30327 721 26 720 a-Alanine, conf. I
142462.7751 0.0284 -5.2142 3 67.8319165 89502 30327 621 26 620 a-Alanine, conf. I
142481.4137 0.0285 -4.7949 3 67.8319165 89502 30327 721 26 620 a-Alanine, conf. I
142483.8836 0.0602 -6.0201 3 22.8594 99 89502 30316 511 15 412 a-Alanine, conf. I
142492.1956 2.2154 -6.5188 3 316.1702339 89502 303561739 552036 a-Alanine, conf. I
142525.8471 3.0837 -5.4791 3 605.7678471 89502 303782256 782157 a-Alanine, conf. I
142527.3723 3.0825 -5.4791 3 605.7678471 89502 303782356 782257 a-Alanine, conf. I
142537.9210 0.1279 -5.3873 3 191.2589219 89502 3033631 5 3630 6 a-Alanine, conf. I
142537.9210 0.1279 -5.3873 3 191.2589219 89502 3033631 6 3630 7 a-Alanine, conf. I
142554.6525 2.2127 -5.5499 3 668.9779477 89502 303793544 793445 a-Alanine, conf. I
142560.7259 2.2068 -5.5499 3 668.9777477 89502 303793545 793446 a-Alanine, conf. I
142602.2017 0.0137 -5.9617 3 36.4044117 89502 30319 911 18 811 a-Alanine, conf. I
142603.4370 0.0083 -6.1902 3 21.0762 93 89502 30315 7 9 14 410 a-Alanine, conf. I
142619.1384 0.0377 -5.4481 3 81.7063159 89502 303261710 2517 9 a-Alanine, conf. I
142619.1387 0.0377 -5.4481 3 81.7063159 89502 3032617 9 2517 8 a-Alanine, conf. I
142653.8771 0.1353 -5.4480 3 184.7165213 89502 3033531 4 3530 5 a-Alanine, conf. I
142653.8771 0.1353 -5.4480 3 184.7165213 89502 3033531 5 3530 6 a-Alanine, conf. I
142664.0555 0.0254 -5.2378 3 61.3662153 89502 30325 817 24 816 a-Alanine, conf. I
142664.3709 0.0229 -6.2357 3 19.1482 93 89502 30315 511 14 212 a-Alanine, conf. I
142687.4395 0.7393 -5.9149 3 172.5648285 89502 30347 146 47 047 a-Alanine, conf. I
142687.4395 0.7393 -5.9149 3 172.5648285 89502 30347 246 47 147 a-Alanine, conf. I
142691.4385 5.1300 -5.9744 3 926.3658567 89502 303943857 943758 a-Alanine, conf. I
142696.1126 7.6072 -6.1103 3 1003.2997591 89502 303983959 983860 a-Alanine, conf. I
142736.0923 0.7176 -6.2170 3 365.6429333 89502 303553421 543520 a-Alanine, conf. I
142736.0923 0.7176 -6.2170 3 365.6429333 89502 303553422 543519 a-Alanine, conf. I
142743.3855 10.0759 -6.2535 3 1083.3041615 89502 303A24062 A23963 a-Alanine, conf. I
142760.0595 0.1439 -5.5265 3 178.3586207 89502 3033431 3 3430 4 a-Alanine, conf. I
142760.0595 0.1439 -5.5265 3 178.3586207 89502 3033431 4 3430 5 a-Alanine, conf. I
142791.8577 0.0226 -6.4221 3 28.5050117 89502 30319 217 18 117 a-Alanine, conf. I
142792.0396 0.0226 -6.4221 3 28.5050117 89502 30319 317 18 217 a-Alanine, conf. I
142807.2973 0.4425 -5.1670 3 355.5902333 89502 303553223 553124 a-Alanine, conf. I
142807.2973 0.4425 -6.5715 3 355.5902333 89502 303553223 553125 a-Alanine, conf. I
142807.2973 0.4425 -6.5715 3 355.5902333 89502 303553224 553124 a-Alanine, conf. I
142807.2973 0.4425 -5.1670 3 355.5902333 89502 303553224 553125 a-Alanine, conf. I
142857.0487 0.1534 -5.6332 3 172.1849201 89502 3033331 2 3330 3 a-Alanine, conf. I
142857.0487 0.1534 -5.6332 3 172.1849201 89502 3033331 3 3330 4 a-Alanine, conf. I
142888.3097 0.9089 -5.2744 3 471.6091393 89502 303653332 653233 a-Alanine, conf. I
142888.3133 0.9089 -5.2744 3 471.6091393 89502 303653333 653234 a-Alanine, conf. I
142915.4037 0.7359 -6.4418 3 285.6129321 89502 303531736 522033 a-Alanine, conf. I
142923.5864 0.0424 -5.4054 3 79.1722159 89502 303261611 251610 a-Alanine, conf. I
142923.5938 0.0424 -5.4054 3 79.1722159 89502 303261610 2516 9 a-Alanine, conf. I
142945.4016 0.1635 -5.7911 3 166.1954195 89502 3033231 1 3230 2 a-Alanine, conf. I
142945.4016 0.1635 -5.7911 3 166.1954195 89502 3033231 2 3230 3 a-Alanine, conf. I
142958.2539 0.0688 -6.0077 3 37.6071123 89502 30320 614 19 514 a-Alanine, conf. I
142963.2422 8.4726 -6.0002 3 936.2738579 89502 303963265 963166 a-Alanine, conf. I
142985.0310 0.6009 -5.2285 3 319.1019357 89502 303591049 59 950 a-Alanine, conf. I
142985.0310 0.6009 -6.4636 3 319.1019357 89502 303591049 591050 a-Alanine, conf. I
142985.0310 0.6009 -6.4636 3 319.1019357 89502 303591149 59 950 a-Alanine, conf. I
142985.0310 0.6009 -5.2285 3 319.1019357 89502 303591149 591050 a-Alanine, conf. I
142997.8098 1.4399 -6.5785 3 446.6450411 89502 303681652 681653 a-Alanine, conf. I
142997.8100 1.4399 -5.2890 3 446.6450411 89502 303681652 681553 a-Alanine, conf. I
142997.8122 1.4399 -5.2890 3 446.6450411 89502 303681752 681653 a-Alanine, conf. I
142997.8123 1.4399 -6.5785 3 446.6450411 89502 303681752 681553 a-Alanine, conf. I
143025.6534 0.1738 -6.0741 3 160.3897189 89502 3033131 0 3130 1 a-Alanine, conf. I
143025.6534 0.1738 -6.0741 3 160.3897189 89502 3033131 1 3130 2 a-Alanine, conf. I
143089.0666 0.0824 -6.5524 3 90.3062183 89502 303301020 291118 a-Alanine, conf. I
143114.7501 4.0909 -5.8179 3 835.7472537 89502 303893752 893653 a-Alanine, conf. I
143149.1254 3.4804 -5.5243 3 639.1716483 89502 303802357 802258 a-Alanine, conf. I
143152.3185 3.4776 -5.5243 3 639.1716483 89502 303802457 802358 a-Alanine, conf. I
143167.7846 2.9837 -5.6757 3 749.9468507 89502 303843648 843549 a-Alanine, conf. I
143198.9091 2.9500 -5.6755 3 749.9456507 89502 303843649 843550 a-Alanine, conf. I
143215.7735 0.4065 -5.1609 3 345.5000327 89502 303543222 543123 a-Alanine, conf. I
143215.7735 0.4065 -6.5607 3 345.5000327 89502 303543222 543124 a-Alanine, conf. I
143215.7735 0.4065 -6.5607 3 345.5000327 89502 303543223 543123 a-Alanine, conf. I
143215.7735 0.4065 -5.1609 3 345.5000327 89502 303543223 543124 a-Alanine, conf. I
143216.5593 8.0932 -5.9318 3 896.2638567 89502 303943064 942965 a-Alanine, conf. I
143246.6087 11.9808 -6.3277 3 1123.8121633 89502 303A53670 A53571 a-Alanine, conf. I
143253.1718 3.9231 -5.8171 3 835.7418537 89502 303893753 893654 a-Alanine, conf. I
143262.0850 8.0190 -6.4347 3 1186.3319645 89502 303A74167 A74068 a-Alanine, conf. I
143284.1920 0.7411 -6.2536 3 381.1379339 89502 303563521 553620 a-Alanine, conf. I
143284.1920 0.7411 -6.2536 3 381.1379339 89502 303563522 553619 a-Alanine, conf. I
143300.7654 0.0483 -5.3673 3 76.8082159 89502 303261512 251511 a-Alanine, conf. I
143300.9141 0.0484 -5.3673 3 76.8082159 89502 303261511 251510 a-Alanine, conf. I
143301.1972 2.1429 -5.3704 3 523.5292441 89502 303731954 731855 a-Alanine, conf. I
143301.2643 2.1428 -5.3704 3 523.5292441 89502 303732054 731955 a-Alanine, conf. I
143316.9222 0.0235 -5.0901 3 36.4044117 89502 30319 910 18 811 a-Alanine, conf. I
143331.5942 0.5862 -5.4082 3 217.7330309 89502 30351 447 51 348 a-Alanine, conf. I
143331.5942 0.5862 -6.5960 3 217.7330309 89502 30351 447 51 448 a-Alanine, conf. I
143331.5942 0.5862 -6.5960 3 217.7330309 89502 30351 547 51 348 a-Alanine, conf. I
143331.5942 0.5862 -5.4082 3 217.7330309 89502 30351 547 51 448 a-Alanine, conf. I
143337.3531 0.8022 -5.2319 3 359.6261375 89502 303621250 621151 a-Alanine, conf. I
143337.3531 0.8022 -6.4840 3 359.6261375 89502 303621250 621251 a-Alanine, conf. I
143337.3531 0.8022 -6.4840 3 359.6261375 89502 303621350 621151 a-Alanine, conf. I
143337.3531 0.8022 -5.2319 3 359.6261375 89502 303621350 621251 a-Alanine, conf. I
143355.1164 1.0839 -5.2531 3 402.1470393 89502 303651451 651352 a-Alanine, conf. I
143355.1164 1.0839 -6.5233 3 402.1470393 89502 303651451 651452 a-Alanine, conf. I
143355.1166 1.0839 -6.5233 3 402.1470393 89502 303651551 651352 a-Alanine, conf. I
143355.1166 1.0839 -5.2531 3 402.1470393 89502 303651551 651452 a-Alanine, conf. I
143357.7061 4.1949 -6.5920 3 337.2004351 89502 303581841 571938 a-Alanine, conf. I
143361.4971 1.4195 -5.3944 3 565.5839435 89502 303723438 723339 a-Alanine, conf. I
143361.6863 1.4194 -5.3944 3 565.5839435 89502 303723439 723340 a-Alanine, conf. I
143417.7607 0.0312 -5.1429 3 72.8159183 89502 30330 228 29 227 a-Alanine, conf. I
143417.7607 0.0312 -4.5558 3 72.8159183 89502 30330 228 29 327 a-Alanine, conf. I
143417.7607 0.0312 -4.5558 3 72.8159183 89502 30330 328 29 227 a-Alanine, conf. I
143417.7607 0.0312 -5.1429 3 72.8159183 89502 30330 328 29 327 a-Alanine, conf. I
143452.5864 0.0348 -5.1123 3 40.1012123 89502 30320 912 19 811 a-Alanine, conf. I
143458.0024 0.4971 -5.2694 3 266.5965333 89502 30355 748 55 649 a-Alanine, conf. I
143458.0024 0.4971 -6.4800 3 266.5965333 89502 30355 748 55 749 a-Alanine, conf. I
143458.0024 0.4971 -6.4800 3 266.5965333 89502 30355 848 55 649 a-Alanine, conf. I
143458.0024 0.4971 -5.2694 3 266.5965333 89502 30355 848 55 749 a-Alanine, conf. I
143555.5784 0.8447 -5.2586 3 459.6184387 89502 303643331 643232 a-Alanine, conf. I
143555.5798 0.8447 -5.2586 3 459.6184387 89502 303643332 643233 a-Alanine, conf. I
143566.0288 7.6535 -5.9297 3 896.2658567 89502 303943164 943065 a-Alanine, conf. I
143588.4544 0.5353 -5.4259 3 91.3529183 89502 303301119 291218 a-Alanine, conf. I
143599.3340 0.3726 -5.1561 3 335.5997321 89502 303533221 533122 a-Alanine, conf. I
143599.3340 0.3726 -6.5514 3 335.5997321 89502 303533221 533123 a-Alanine, conf. I
143599.3340 0.3726 -6.5514 3 335.5997321 89502 303533222 533122 a-Alanine, conf. I
143599.3340 0.3726 -5.1561 3 335.5997321 89502 303533222 533123 a-Alanine, conf. I
143646.4193 3.9202 -5.5727 3 673.4130495 89502 303822458 822359 a-Alanine, conf. I
143652.9858 3.9140 -5.5727 3 673.4131495 89502 303822558 822459 a-Alanine, conf. I
143690.2357 13.7520 -6.6087 3 1280.2676675 89502 303B23974 B23875 a-Alanine, conf. I
143724.6886 0.0291 -4.7081 3 70.5828171 89502 30328 523 27 622 a-Alanine, conf. I
143724.7140 0.2179 -5.5836 3 133.4496219 89502 303361423 351520 a-Alanine, conf. I
143725.1549 0.0291 -5.1891 3 70.5828171 89502 30328 623 27 622 a-Alanine, conf. I
143725.8684 0.0291 -5.1891 3 70.5827171 89502 30328 523 27 522 a-Alanine, conf. I
143726.3347 0.0291 -4.7081 3 70.5827171 89502 30328 623 27 522 a-Alanine, conf. I
143730.2580 6.1102 -6.1041 3 1003.2583591 89502 303983960 983861 a-Alanine, conf. I
143755.7038 2.0474 -5.5226 3 654.2945471 89502 303783543 783444 a-Alanine, conf. I
143758.5031 2.0448 -5.5226 3 654.2944471 89502 303783544 783445 a-Alanine, conf. I
143779.0519 0.0555 -5.3328 3 74.6188159 89502 303261413 251412 a-Alanine, conf. I
143781.4038 0.0556 -5.3327 3 74.6189159 89502 303261412 251411 a-Alanine, conf. I
143804.4971 7.1087 -5.8634 3 857.0689555 89502 303922963 922864 a-Alanine, conf. I
143823.9545 0.1201 -5.2497 3 63.1873153 89502 303251015 241014 a-Alanine, conf. I
143840.5549 0.7656 -6.2908 3 396.9697345 89502 303573621 563720 a-Alanine, conf. I
143840.5549 0.7656 -6.2908 3 396.9697345 89502 303573622 563719 a-Alanine, conf. I
143878.3816 1.7741 -6.4747 3 305.8074333 89502 303551738 542035 a-Alanine, conf. I
143880.1874 0.0537 -5.8935 3 43.2160129 89502 30321 813 20 713 a-Alanine, conf. I
143903.0804 0.0739 -5.2957 3 35.3011117 89502 30319 811 18 712 a-Alanine, conf. I
143918.6301 0.5371 -5.7313 3 202.6863261 89502 303432123 422220 a-Alanine, conf. I
143920.7221 0.5375 -5.7312 3 202.6863261 89502 303432122 422221 a-Alanine, conf. I
143937.3800 0.5257 -5.7002 3 191.7547255 89502 303422023 412120 a-Alanine, conf. I
143946.5144 0.5272 -5.7001 3 191.7547255 89502 303422022 412121 a-Alanine, conf. I
143959.3208 0.3407 -5.1526 3 325.8890315 89502 303523220 523121 a-Alanine, conf. I
143959.3208 0.3407 -6.5435 3 325.8890315 89502 303523220 523122 a-Alanine, conf. I
143959.3208 0.3407 -6.5435 3 325.8890315 89502 303523221 523121 a-Alanine, conf. I
143959.3208 0.3407 -5.1526 3 325.8890315 89502 303523221 523122 a-Alanine, conf. I
143992.3126 6.8818 -5.8623 3 857.0699555 89502 303923063 922964 a-Alanine, conf. I
144004.2986 0.5503 -5.7626 3 213.9593267 89502 303442223 432320 a-Alanine, conf. I
144004.7554 0.5504 -5.7626 3 213.9593267 89502 303442222 432321 a-Alanine, conf. I
144008.1664 4.4096 -5.6244 3 708.4890507 89502 303842559 842460 a-Alanine, conf. I
144021.4399 4.3965 -5.6243 3 708.4890507 89502 303842659 842560 a-Alanine, conf. I
144068.0929 0.0364 -5.2294 3 66.3176159 89502 30326 918 25 917 a-Alanine, conf. I
144086.0390 0.5158 -5.6694 3 181.1657249 89502 303411923 402020 a-Alanine, conf. I
144123.8488 0.5214 -5.6691 3 181.1656249 89502 303411922 402021 a-Alanine, conf. I
144144.2884 6.2842 -5.7987 3 818.6899543 89502 303902862 902763 a-Alanine, conf. I
144152.2629 1.2555 -6.4464 3 295.6189327 89502 303541737 532034 a-Alanine, conf. I
144173.1130 0.5650 -5.7942 3 225.5730273 89502 303452323 442420 a-Alanine, conf. I
144173.2086 0.5650 -5.7942 3 225.5730273 89502 303452322 442421 a-Alanine, conf. I
144181.7331 8.4165 -6.5892 3 1273.1687669 89502 303B14270 B14171 a-Alanine, conf. I
144183.9174 0.7848 -5.2438 3 447.8214381 89502 303633330 633231 a-Alanine, conf. I
144183.9179 0.7848 -5.2438 3 447.8214381 89502 303633331 633232 a-Alanine, conf. I
144210.1095 0.6501 -5.4995 3 204.8776303 89502 30350 347 50 248 a-Alanine, conf. I
144210.1095 0.6501 -5.4995 3 204.8776303 89502 30350 447 50 348 a-Alanine, conf. I
144222.5619 4.9576 -5.6792 3 744.3961519 89502 303862660 862561 a-Alanine, conf. I
144229.5372 12.0859 -6.1723 3 1037.3462609 89502 303A13368 A13269 a-Alanine, conf. I
144243.5407 6.1695 -5.7981 3 818.6904543 89502 303902962 902863 a-Alanine, conf. I
144248.9473 4.9300 -5.6791 3 744.3962519 89502 303862760 862661 a-Alanine, conf. I
144255.0719 1.3203 -5.3728 3 552.2538429 89502 303713437 713338 a-Alanine, conf. I
144255.1509 1.3202 -5.3728 3 552.2538429 89502 303713438 713339 a-Alanine, conf. I
144258.2693 0.5484 -5.2355 3 304.4206351 89502 30358 949 58 850 a-Alanine, conf. I
144258.2693 0.5484 -6.4617 3 304.4206351 89502 30358 949 58 950 a-Alanine, conf. I
144258.2693 0.5484 -6.4617 3 304.4206351 89502 303581049 58 850 a-Alanine, conf. I
144258.2693 0.5484 -5.2355 3 304.4206351 89502 303581049 58 950 a-Alanine, conf. I
144274.5611 5.5764 -5.7373 3 781.1310531 89502 303882761 882662 a-Alanine, conf. I
144290.1071 1.6625 -6.6129 3 475.7746423 89502 303701753 701754 a-Alanine, conf. I
144290.1075 1.6625 -5.3150 3 475.7746423 89502 303701753 701654 a-Alanine, conf. I
144290.1129 1.6625 -5.3150 3 475.7746423 89502 303701853 701754 a-Alanine, conf. I
144290.1133 1.6625 -6.6129 3 475.7746423 89502 303701853 701654 a-Alanine, conf. I
144291.9643 2.4392 -5.4063 3 554.8087453 89502 303752055 751956 a-Alanine, conf. I
144292.1157 2.4390 -5.4063 3 554.8087453 89502 303752155 752056 a-Alanine, conf. I
144296.9886 0.3107 -5.1505 3 316.3674309 89502 303513219 513120 a-Alanine, conf. I
144296.9886 0.3107 -6.5370 3 316.3674309 89502 303513219 513121 a-Alanine, conf. I
144296.9886 0.3107 -6.5370 3 316.3674309 89502 303513220 513120 a-Alanine, conf. I
144296.9886 0.3107 -5.1505 3 316.3674309 89502 303513220 513121 a-Alanine, conf. I
144326.1554 5.5196 -5.7370 3 781.1312531 89502 303882861 882762 a-Alanine, conf. I
144330.0202 5.1606 -5.9371 3 908.7954561 89502 303933855 933756 a-Alanine, conf. I
144380.3732 11.2304 -6.2452 3 1080.1858621 89502 303A33569 A33470 a-Alanine, conf. I
144386.1554 0.5057 -5.6390 3 170.9205243 89502 303401823 391920 a-Alanine, conf. I
144398.0340 0.0638 -5.3011 3 72.6107159 89502 303261314 251313 a-Alanine, conf. I
144404.1505 0.7910 -6.3286 3 413.1383351 89502 303583721 573820 a-Alanine, conf. I
144404.1505 0.7910 -6.3286 3 413.1383351 89502 303583722 573819 a-Alanine, conf. I
144408.6963 0.5809 -5.8262 3 237.5268279 89502 303462423 452520 a-Alanine, conf. I
144408.7155 0.5809 -5.8262 3 237.5268279 89502 303462422 452521 a-Alanine, conf. I
144426.9534 0.0650 -5.3009 3 72.6112159 89502 303261313 251312 a-Alanine, conf. I
144517.0348 0.5242 -5.3004 3 252.8189327 89502 30354 648 54 549 a-Alanine, conf. I
144517.0348 0.5242 -6.5028 3 252.8189327 89502 30354 648 54 649 a-Alanine, conf. I
144517.0348 0.5242 -6.5028 3 252.8189327 89502 30354 748 54 549 a-Alanine, conf. I
144517.0348 0.5242 -5.3004 3 252.8189327 89502 30354 748 54 649 a-Alanine, conf. I
144533.4059 0.5247 -5.6380 3 170.9203243 89502 303401822 391921 a-Alanine, conf. I
144598.7534 2.7434 -5.6445 3 734.3008501 89502 303833647 833548 a-Alanine, conf. I
144613.5132 0.2827 -5.1499 3 307.0345303 89502 303503218 503119 a-Alanine, conf. I
144613.5132 0.2827 -6.5322 3 307.0345303 89502 303503218 503120 a-Alanine, conf. I
144613.5132 0.2827 -6.5322 3 307.0345303 89502 303503219 503119 a-Alanine, conf. I
144613.5132 0.2827 -5.1499 3 307.0345303 89502 303503219 503120 a-Alanine, conf. I
144613.8769 2.7272 -5.6444 3 734.3003501 89502 303833648 833549 a-Alanine, conf. I
144619.2005 4.7752 -5.9354 3 908.7840561 89502 303933856 933757 a-Alanine, conf. I
144629.7595 0.2298 -6.5848 3 96.1425189 89502 303311021 301119 a-Alanine, conf. I
144635.8350 7.1261 -6.2421 3 1083.2273615 89502 303A24063 A23964 a-Alanine, conf. I
144698.5848 0.5979 -5.8585 3 249.8202285 89502 303472523 462620 a-Alanine, conf. I
144698.5885 0.5979 -5.8585 3 249.8202285 89502 303472522 462621 a-Alanine, conf. I
144701.6453 1.3660 -6.5018 3 298.1925327 89502 303541836 532133 a-Alanine, conf. I
144773.5594 0.7020 -5.2289 3 344.2687369 89502 303611150 611051 a-Alanine, conf. I
144773.5594 0.7020 -6.4715 3 344.2687369 89502 303611150 611151 a-Alanine, conf. I
144773.5594 0.7020 -6.4715 3 344.2687369 89502 303611250 611051 a-Alanine, conf. I
144773.5594 0.7020 -5.2289 3 344.2687369 89502 303611250 611151 a-Alanine, conf. I
144775.7378 0.7287 -5.2300 3 436.2174375 89502 303623329 623230 a-Alanine, conf. I
144775.7380 0.7287 -5.2300 3 436.2174375 89502 303623330 623231 a-Alanine, conf. I
144823.3493 0.4894 -5.6098 3 161.0212237 89502 303391723 381820 a-Alanine, conf. I
144829.0416 1.2660 -5.2718 3 429.9653405 89502 303671552 671453 a-Alanine, conf. I
144829.0416 1.2660 -6.5501 3 429.9653405 89502 303671552 671553 a-Alanine, conf. I
144829.0420 1.2660 -6.5501 3 429.9653405 89502 303671652 671453 a-Alanine, conf. I
144829.0420 1.2660 -5.2718 3 429.9653405 89502 303671652 671553 a-Alanine, conf. I
144846.7280 3.7110 -5.7825 3 819.1329531 89502 303883751 883652 a-Alanine, conf. I
144847.7177 0.0426 -5.1162 3 74.7275189 89502 30331 130 30 129 a-Alanine, conf. I
144847.7177 0.0426 -4.5051 3 74.7275189 89502 30331 130 30 229 a-Alanine, conf. I
144847.7177 0.0426 -4.5051 3 74.7275189 89502 30331 230 30 129 a-Alanine, conf. I
144847.7177 0.0426 -5.1162 3 74.7275189 89502 30331 230 30 229 a-Alanine, conf. I
144871.9594 13.7243 -6.5191 3 1233.8702663 89502 303B03873 B03774 a-Alanine, conf. I
144880.3633 1.8989 -5.4964 3 639.8112465 89502 303773542 773443 a-Alanine, conf. I
144881.6276 1.8978 -5.4964 3 639.8112465 89502 303773543 773444 a-Alanine, conf. I
144909.9997 0.2566 -5.1508 3 297.8900297 89502 303493217 493118 a-Alanine, conf. I
144909.9997 0.2566 -6.5291 3 297.8900297 89502 303493217 493119 a-Alanine, conf. I
144909.9997 0.2566 -6.5291 3 297.8900297 89502 303493218 493118 a-Alanine, conf. I
144909.9997 0.2566 -5.1508 3 297.8900297 89502 303493218 493119 a-Alanine, conf. I
144917.5119 3.6257 -5.7820 3 819.1302531 89502 303883752 883653 a-Alanine, conf. I
144923.7639 0.0063 -5.8951 3 32.2797 93 89502 3031514 1 1413 1 a-Alanine, conf. I
144923.7639 0.0063 -4.7456 3 32.2797 93 89502 3031514 1 1413 2 a-Alanine, conf. I
144923.7639 0.0063 -4.7456 3 32.2797 93 89502 3031514 2 1413 1 a-Alanine, conf. I
144923.7639 0.0063 -5.8951 3 32.2797 93 89502 3031514 2 1413 2 a-Alanine, conf. I
144974.0817 0.8174 -6.3669 3 429.6436357 89502 303593821 583920 a-Alanine, conf. I
144974.0817 0.8174 -6.3669 3 429.6436357 89502 303593822 583919 a-Alanine, conf. I
144975.4725 0.9453 -5.2424 3 386.1232387 89502 303641351 641252 a-Alanine, conf. I
144975.4725 0.9453 -6.5023 3 386.1232387 89502 303641351 641352 a-Alanine, conf. I
144975.4725 0.9453 -6.5023 3 386.1232387 89502 303641451 641252 a-Alanine, conf. I
144975.4725 0.9453 -5.2424 3 386.1232387 89502 303641451 641352 a-Alanine, conf. I
144996.3536 1.1204 -6.1238 3 168.5481243 89502 303401723 401426 a-Alanine, conf. I
144996.5260 21.5531 -6.5618 3 1254.4152669 89502 303B13774 B13675 a-Alanine, conf. I
145023.8850 0.0987 -6.6196 3 82.8165171 89502 303281316 281019 a-Alanine, conf. I
145033.1971 0.6159 -5.8912 3 262.4527291 89502 303482623 472720 a-Alanine, conf. I
145033.1978 0.6159 -5.8912 3 262.4527291 89502 303482622 472721 a-Alanine, conf. I
145035.5489 0.7186 -5.6427 3 192.2486297 89502 30349 247 49 148 a-Alanine, conf. I
145035.5489 0.7186 -5.6427 3 192.2486297 89502 30349 347 49 248 a-Alanine, conf. I
145080.4800 0.0124 -5.9266 3 40.1012123 89502 30320 911 19 811 a-Alanine, conf. I
145095.8438 1.2289 -5.3522 3 539.1201423 89502 303703436 703337 a-Alanine, conf. I
145095.8761 1.2289 -5.3522 3 539.1201423 89502 303703437 703338 a-Alanine, conf. I
145097.2830 0.0292 -4.6371 3 73.1183177 89502 30329 425 28 524 a-Alanine, conf. I
145097.2906 0.0292 -5.1632 3 73.1183177 89502 30329 525 28 524 a-Alanine, conf. I
145097.3035 0.0292 -5.1632 3 73.1183177 89502 30329 425 28 424 a-Alanine, conf. I
145097.3111 0.0292 -4.6371 3 73.1183177 89502 30329 525 28 424 a-Alanine, conf. I
145168.2981 0.0717 -5.2718 3 70.7928159 89502 303261215 251214 a-Alanine, conf. I
145180.9450 2.7656 -5.4457 3 586.9349465 89502 303772156 772057 a-Alanine, conf. I
145181.2801 2.7653 -5.4457 3 586.9349465 89502 303772256 772157 a-Alanine, conf. I
145187.4888 0.2324 -5.1535 3 288.9336291 89502 303483216 483117 a-Alanine, conf. I
145187.4888 0.2324 -6.5278 3 288.9336291 89502 303483216 483118 a-Alanine, conf. I
145187.4888 0.2324 -6.5278 3 288.9336291 89502 303483217 483117 a-Alanine, conf. I
145187.4888 0.2324 -5.1535 3 288.9336291 89502 303483217 483118 a-Alanine, conf. I
145204.6199 14.9462 -6.5128 3 1231.8654657 89502 303A94267 A94168 a-Alanine, conf. I
145223.8890 6.5805 -6.0659 3 984.9363585 89502 303973958 973859 a-Alanine, conf. I
145225.4505 15.9586 -6.3577 3 1143.4077639 89502 303A63571 A63472 a-Alanine, conf. I
145237.9605 0.3703 -5.5689 3 142.2759225 89502 303371523 361620 a-Alanine, conf. I
145257.8633 0.4527 -5.5840 3 151.4709231 89502 303381623 371720 a-Alanine, conf. I
145333.2364 0.6762 -5.2171 3 424.8060369 89502 303613328 613229 a-Alanine, conf. I
145333.2365 0.6762 -5.2171 3 424.8060369 89502 303613329 613230 a-Alanine, conf. I
145357.1194 0.5489 -5.6062 3 161.0203237 89502 303391722 381821 a-Alanine, conf. I
145405.0521 0.6346 -5.9244 3 275.4239297 89502 303492723 482820 a-Alanine, conf. I
145405.0523 0.6346 -5.9244 3 275.4239297 89502 303492722 482821 a-Alanine, conf. I
145409.1844 10.3531 -6.1653 3 1037.3542609 89502 303A13468 A13369 a-Alanine, conf. I
145431.1936 0.7142 -5.5435 3 126.8521213 89502 303351421 341520 a-Alanine, conf. I
145433.8477 0.0815 -5.2702 3 70.7990159 89502 303261214 251213 a-Alanine, conf. I
145446.9633 0.2103 -5.1580 3 280.1649285 89502 303473215 473116 a-Alanine, conf. I
145446.9633 0.2103 -6.5285 3 280.1649285 89502 303473215 473117 a-Alanine, conf. I
145446.9633 0.2103 -6.5285 3 280.1649285 89502 303473216 473116 a-Alanine, conf. I
145446.9633 0.2103 -5.1580 3 280.1649285 89502 303473216 473117 a-Alanine, conf. I
145453.9053 0.5253 -5.2488 3 289.9537345 89502 30357 849 57 750 a-Alanine, conf. I
145453.9053 0.5253 -6.4664 3 289.9537345 89502 30357 849 57 850 a-Alanine, conf. I
145453.9053 0.5253 -6.4664 3 289.9537345 89502 30357 949 57 750 a-Alanine, conf. I
145453.9053 0.5253 -5.2488 3 289.9537345 89502 30357 949 57 850 a-Alanine, conf. I
145466.1590 8.0880 -6.3880 3 1166.2613639 89502 303A64166 A64067 a-Alanine, conf. I
145483.2252 0.0411 -5.9964 3 37.6390123 89502 30320 714 19 614 a-Alanine, conf. I
145495.3389 1.9087 -5.3447 3 505.7586435 89502 303721854 721755 a-Alanine, conf. I
145495.3517 1.9086 -5.3447 3 505.7586435 89502 303721954 721855 a-Alanine, conf. I
145503.4737 0.0320 -4.8559 3 69.5614165 89502 30327 720 26 819 a-Alanine, conf. I
145512.4442 0.5704 -5.3443 3 239.2622321 89502 30353 548 53 449 a-Alanine, conf. I
145512.4442 0.5704 -6.5389 3 239.2622321 89502 30353 548 53 549 a-Alanine, conf. I
145512.4442 0.5704 -6.5389 3 239.2622321 89502 30353 648 53 449 a-Alanine, conf. I
145512.4442 0.5704 -5.3443 3 239.2622321 89502 30353 648 53 549 a-Alanine, conf. I
145549.5639 0.8449 -6.4058 3 446.4855363 89502 303603921 594020 a-Alanine, conf. I
145549.5639 0.8449 -6.4058 3 446.4855363 89502 303603922 594019 a-Alanine, conf. I
145581.7075 0.0339 -5.9540 3 38.8129123 89502 30320 813 19 713 a-Alanine, conf. I
145628.3479 0.0586 -5.1292 3 43.9472129 89502 30321 913 20 812 a-Alanine, conf. I
145632.4330 10.3740 -6.0921 3 995.3177597 89502 303993267 993168 a-Alanine, conf. I
145653.7581 0.0048 -5.9079 3 33.0608 99 89502 3031613 3 1512 3 a-Alanine, conf. I
145653.7581 0.0048 -4.7874 3 33.0608 99 89502 3031613 4 1512 3 a-Alanine, conf. I
145653.7584 0.0048 -4.7874 3 33.0608 99 89502 3031613 3 1512 4 a-Alanine, conf. I
145653.7584 0.0048 -5.9079 3 33.0608 99 89502 3031613 4 1512 4 a-Alanine, conf. I
145689.3528 0.1904 -5.1646 3 271.5837279 89502 303463214 463115 a-Alanine, conf. I
145689.3528 0.1904 -6.5313 3 271.5837279 89502 303463214 463116 a-Alanine, conf. I
145689.3528 0.1904 -6.5313 3 271.5837279 89502 303463215 463115 a-Alanine, conf. I
145689.3528 0.1904 -5.1646 3 271.5837279 89502 303463215 463116 a-Alanine, conf. I
145691.7629 0.0794 -5.2178 3 62.2193153 89502 30325 916 24 915 a-Alanine, conf. I
145720.1063 0.0302 -5.2034 3 69.5614165 89502 30327 820 26 819 a-Alanine, conf. I
145722.6427 0.0567 -5.2305 3 67.7120159 89502 303261017 251016 a-Alanine, conf. I
145730.9459 8.5148 -6.2045 3 1064.1648609 89502 303A14061 A13962 a-Alanine, conf. I
145761.8263 11.2008 -6.3533 3 1146.4761633 89502 303A54164 A54065 a-Alanine, conf. I
145797.5654 5.7453 -6.0625 3 984.9135585 89502 303973959 973860 a-Alanine, conf. I
145808.2170 0.6541 -5.9580 3 288.7336303 89502 303502822 492921 a-Alanine, conf. I
145808.2170 0.6541 -5.9580 3 288.7336303 89502 303502823 492920 a-Alanine, conf. I
145811.2183 0.7894 -5.9114 3 179.8478291 89502 30348 147 48 048 a-Alanine, conf. I
145811.2183 0.7894 -5.9114 3 179.8478291 89502 30348 247 48 148 a-Alanine, conf. I
145858.4229 0.6268 -5.2053 3 413.5865363 89502 303603327 603228 a-Alanine, conf. I
145858.4229 0.6268 -6.6252 3 413.5865363 89502 303603328 603228 a-Alanine, conf. I
145858.4229 0.6268 -5.2053 3 413.5865363 89502 303603328 603229 a-Alanine, conf. I
145858.4230 0.6268 -6.6252 3 413.5865363 89502 303603327 603229 a-Alanine, conf. I
145858.4527 0.0720 -5.2464 3 69.1699159 89502 303261116 251115 a-Alanine, conf. I
145887.5964 1.1445 -5.3326 3 526.1822417 89502 303693435 693336 a-Alanine, conf. I
145887.6093 1.1445 -5.3326 3 526.1822417 89502 303693436 693337 a-Alanine, conf. I
145915.5386 0.1729 -5.1734 3 263.1895273 89502 303453213 453114 a-Alanine, conf. I
145915.5386 0.1729 -6.5364 3 263.1895273 89502 303453213 453115 a-Alanine, conf. I
145915.5386 0.1729 -6.5364 3 263.1895273 89502 303453214 453114 a-Alanine, conf. I
145915.5386 0.1729 -5.1734 3 263.1895273 89502 303453214 453115 a-Alanine, conf. I
145926.3572 1.0383 -6.3040 3 137.4084219 89502 303361620 361323 a-Alanine, conf. I
145931.3679 2.5330 -5.6144 3 718.8577495 89502 303823646 823547 a-Alanine, conf. I
145935.6634 1.7644 -5.4711 3 625.5272459 89502 303763541 763442 a-Alanine, conf. I
145936.2230 1.7639 -5.4711 3 625.5272459 89502 303763542 763443 a-Alanine, conf. I
145938.5718 2.5254 -5.6144 3 718.8574495 89502 303823647 823548 a-Alanine, conf. I
145962.8791 3.1253 -5.4883 3 619.9049477 89502 303792257 792158 a-Alanine, conf. I
145962.9776 0.0302 -5.2018 3 69.5460165 89502 30327 720 26 719 a-Alanine, conf. I
145963.6056 3.1246 -5.4883 3 619.9049477 89502 303792357 792258 a-Alanine, conf. I
146121.0246 0.6253 -5.2305 3 329.1211363 89502 303601050 60 951 a-Alanine, conf. I
146121.0246 0.6253 -6.4639 3 329.1211363 89502 303601050 601051 a-Alanine, conf. I
146121.0246 0.6253 -6.4639 3 329.1211363 89502 303601150 60 951 a-Alanine, conf. I
146121.0246 0.6253 -5.2305 3 329.1211363 89502 303601150 601051 a-Alanine, conf. I
146126.3578 0.1580 -5.1848 3 254.9821267 89502 303443212 443113 a-Alanine, conf. I
146126.3578 0.1580 -6.5442 3 254.9821267 89502 303443212 443114 a-Alanine, conf. I
146126.3578 0.1580 -6.5442 3 254.9821267 89502 303443213 443113 a-Alanine, conf. I
146126.3578 0.1580 -5.1848 3 254.9821267 89502 303443213 443114 a-Alanine, conf. I
146129.9071 0.8736 -6.4452 3 463.6637369 89502 303614021 604120 a-Alanine, conf. I
146129.9071 0.8736 -6.4452 3 463.6637369 89502 303614022 604119 a-Alanine, conf. I
146144.4240 13.2232 -6.4310 3 1188.2541651 89502 303A83772 A83673 a-Alanine, conf. I
146179.6103 0.0318 -4.8513 3 69.5460165 89502 30327 820 26 719 a-Alanine, conf. I
146191.5913 1.4400 -5.9826 3 169.8454249 89502 303411428 401525 a-Alanine, conf. I
146202.7636 0.2587 -6.5895 3 86.4761177 89502 303291218 29 921 a-Alanine, conf. I
146223.4885 1.4692 -6.5812 3 458.6429417 89502 303691653 691654 a-Alanine, conf. I
146223.4886 1.4692 -5.2948 3 458.6429417 89502 303691653 691554 a-Alanine, conf. I
146223.4895 1.4692 -6.5812 3 458.6429417 89502 303691753 691554 a-Alanine, conf. I
146223.4895 1.4692 -5.2948 3 458.6429417 89502 303691753 691654 a-Alanine, conf. I
146237.9191 0.6743 -5.9920 3 302.3815309 89502 303512922 503021 a-Alanine, conf. I
146237.9191 0.6743 -5.9920 3 302.3815309 89502 303512923 503020 a-Alanine, conf. I
146238.5008 0.3423 -5.9520 3 211.3723273 89502 303451827 451530 a-Alanine, conf. I
146273.4432 0.0625 -5.0900 3 76.4563195 89502 30332 032 31 031 a-Alanine, conf. I
146273.4432 0.0625 -4.4587 3 76.4563195 89502 30332 032 31 131 a-Alanine, conf. I
146273.4432 0.0625 -4.4587 3 76.4563195 89502 30332 132 31 031 a-Alanine, conf. I
146273.4432 0.0625 -5.0900 3 76.4563195 89502 30332 132 31 131 a-Alanine, conf. I
146285.7114 4.6285 -5.8985 3 891.4157555 89502 303923854 923755 a-Alanine, conf. I
146287.7470 9.4385 -6.0883 3 995.3218597 89502 303993367 993268 a-Alanine, conf. I
146295.5461 8.8712 -6.5413 3 1252.3467663 89502 303B04269 B04170 a-Alanine, conf. I
146322.6066 0.1462 -5.1990 3 246.9611261 89502 303433211 433112 a-Alanine, conf. I
146322.6066 0.1462 -6.5550 3 246.9611261 89502 303433211 433113 a-Alanine, conf. I
146322.6066 0.1462 -6.5550 3 246.9611261 89502 303433212 433112 a-Alanine, conf. I
146322.6066 0.1462 -5.1990 3 246.9611261 89502 303433212 433113 a-Alanine, conf. I
146325.3058 0.1092 -6.5641 3 88.1855177 89502 303291317 291020 a-Alanine, conf. I
146342.7521 0.0057 -4.8346 3 34.2019105 89502 3031712 6 1611 5 a-Alanine, conf. I
146342.7625 0.0057 -5.9172 3 34.2019105 89502 3031712 5 1611 5 a-Alanine, conf. I
146342.8219 0.0057 -5.9172 3 34.2019105 89502 3031712 6 1611 6 a-Alanine, conf. I
146342.8322 0.0057 -4.8346 3 34.2019105 89502 3031712 5 1611 6 a-Alanine, conf. I
146353.1437 0.5804 -5.1945 3 402.5586357 89502 303593326 593227 a-Alanine, conf. I
146353.1437 0.5804 -6.6094 3 402.5586357 89502 303593326 593228 a-Alanine, conf. I
146353.1437 0.5804 -6.6094 3 402.5586357 89502 303593327 593227 a-Alanine, conf. I
146353.1437 0.5804 -5.1945 3 402.5586357 89502 303593327 593228 a-Alanine, conf. I
146428.1771 0.0407 -6.0529 3 36.3297123 89502 30320 515 19 415 a-Alanine, conf. I
146438.0864 4.4259 -5.8976 3 891.4097555 89502 303923855 923756 a-Alanine, conf. I
146440.8910 3.3941 -5.7484 3 802.7250525 89502 303873750 873651 a-Alanine, conf. I
146448.5341 0.6295 -5.4066 3 225.9281315 89502 30352 448 52 349 a-Alanine, conf. I
146448.5341 0.6295 -6.5937 3 225.9281315 89502 30352 448 52 449 a-Alanine, conf. I
146448.5341 0.6295 -6.5937 3 225.9281315 89502 30352 548 52 349 a-Alanine, conf. I
146448.5341 0.6295 -5.4066 3 225.9281315 89502 30352 548 52 449 a-Alanine, conf. I
146454.8853 0.0951 -5.9284 3 42.3756129 89502 30321 714 20 614 a-Alanine, conf. I
146476.3668 3.3517 -5.7482 3 802.7236525 89502 303873751 873652 a-Alanine, conf. I
146493.2352 0.8250 -5.2352 3 370.3040381 89502 303631251 631152 a-Alanine, conf. I
146493.2352 0.8250 -6.4853 3 370.3040381 89502 303631251 631252 a-Alanine, conf. I
146493.2352 0.8250 -6.4853 3 370.3040381 89502 303631351 631152 a-Alanine, conf. I
146493.2352 0.8250 -5.2352 3 370.3040381 89502 303631351 631252 a-Alanine, conf. I
146505.0439 0.1375 -5.2166 3 239.1264255 89502 303423210 423111 a-Alanine, conf. I
146505.0439 0.1375 -6.5692 3 239.1264255 89502 303423210 423112 a-Alanine, conf. I
146505.0439 0.1375 -6.5692 3 239.1264255 89502 303423211 423111 a-Alanine, conf. I
146505.0439 0.1375 -5.2166 3 239.1264255 89502 303423211 423112 a-Alanine, conf. I
146508.6635 0.0300 -4.5762 3 75.4545183 89502 30330 327 29 426 a-Alanine, conf. I
146508.6636 0.0300 -5.1371 3 75.4545183 89502 30330 427 29 426 a-Alanine, conf. I
146508.6637 0.0300 -5.1371 3 75.4545183 89502 30330 327 29 326 a-Alanine, conf. I
146508.6638 0.0300 -4.5762 3 75.4545183 89502 30330 427 29 326 a-Alanine, conf. I
146526.5369 0.0291 -5.2099 3 66.1250159 89502 30326 818 25 817 a-Alanine, conf. I
146540.0191 1.1089 -5.2577 3 413.4844399 89502 303661452 661353 a-Alanine, conf. I
146540.0191 1.1089 -6.5253 3 413.4844399 89502 303661452 661453 a-Alanine, conf. I
146540.0192 1.1089 -6.5253 3 413.4844399 89502 303661552 661353 a-Alanine, conf. I
146540.0192 1.1089 -5.2577 3 413.4844399 89502 303661552 661453 a-Alanine, conf. I
146577.7789 0.5314 -5.2697 3 275.7034339 89502 30356 749 56 650 a-Alanine, conf. I
146577.7789 0.5314 -6.4790 3 275.7034339 89502 30356 749 56 750 a-Alanine, conf. I
146577.7789 0.5314 -6.4790 3 275.7034339 89502 30356 849 56 650 a-Alanine, conf. I
146577.7789 0.5314 -5.2697 3 275.7034339 89502 30356 849 56 750 a-Alanine, conf. I
146610.0977 2.1801 -5.3780 3 536.5947447 89502 303741955 741856 a-Alanine, conf. I
146610.1278 2.1801 -5.3780 3 536.5947447 89502 303742055 741956 a-Alanine, conf. I
146631.7392 3.5218 -5.5342 3 653.7159489 89502 303812358 812259 a-Alanine, conf. I
146633.2854 3.5204 -5.5342 3 653.7159489 89502 303812458 812359 a-Alanine, conf. I
146633.6943 1.0661 -5.3139 3 513.4393411 89502 303683434 683335 a-Alanine, conf. I
146633.6993 1.0661 -5.3139 3 513.4393411 89502 303683435 683336 a-Alanine, conf. I
146635.6883 9.0360 -6.0164 3 954.0914585 89502 303973166 973067 a-Alanine, conf. I
146674.3938 0.1323 -5.2380 3 231.4776249 89502 3034132 9 413110 a-Alanine, conf. I
146674.3938 0.1323 -6.5874 3 231.4776249 89502 3034132 9 413111 a-Alanine, conf. I
146674.3938 0.1323 -6.5874 3 231.4776249 89502 303413210 413110 a-Alanine, conf. I
146674.3938 0.1323 -5.2380 3 231.4776249 89502 303413210 413111 a-Alanine, conf. I
146690.2711 0.6952 -6.0265 3 316.3674315 89502 303523022 513121 a-Alanine, conf. I
146690.2711 0.6952 -6.0265 3 316.3674315 89502 303523023 513120 a-Alanine, conf. I
146714.5021 0.9036 -6.4853 3 481.1784375 89502 303624121 614220 a-Alanine, conf. I
146714.5021 0.9036 -6.4853 3 481.1784375 89502 303624122 614219 a-Alanine, conf. I
146800.5905 0.0356 -6.0509 3 36.3326123 89502 30320 615 19 515 a-Alanine, conf. I
146813.4302 6.8067 -6.1981 3 1064.1214609 89502 303A14062 A13963 a-Alanine, conf. I
146819.1011 0.5366 -5.1848 3 391.7218351 89502 303583325 583226 a-Alanine, conf. I
146819.1011 0.5366 -6.5949 3 391.7218351 89502 303583325 583227 a-Alanine, conf. I
146819.1011 0.5366 -6.5949 3 391.7218351 89502 303583326 583226 a-Alanine, conf. I
146819.1011 0.5366 -5.1848 3 391.7218351 89502 303583326 583227 a-Alanine, conf. I
146829.6143 0.0842 -5.1386 3 48.0153135 89502 30322 914 21 813 a-Alanine, conf. I
146831.3483 0.1305 -5.2641 3 224.0145243 89502 3034032 8 4031 9 a-Alanine, conf. I
146831.3483 0.1305 -6.6102 3 224.0145243 89502 3034032 8 403110 a-Alanine, conf. I
146831.3483 0.1305 -6.6102 3 224.0145243 89502 3034032 9 4031 9 a-Alanine, conf. I
146831.3483 0.1305 -5.2641 3 224.0145243 89502 3034032 9 403110 a-Alanine, conf. I
146838.3846 0.0691 -6.3753 3 116.5703165 89502 3032726 1 2626 0 a-Alanine, conf. I
146838.3846 0.0691 -6.3753 3 116.5703165 89502 3032726 2 2626 1 a-Alanine, conf. I
146918.8919 0.0074 -4.8916 3 35.7177111 89502 3031811 8 1710 7 a-Alanine, conf. I
146919.7879 0.0312 -4.7477 3 72.5846171 89502 30328 622 27 721 a-Alanine, conf. I
146920.1344 0.0074 -5.9227 3 35.7177111 89502 3031811 7 1710 7 a-Alanine, conf. I
146922.7824 0.0607 -6.0738 3 112.5817165 89502 3032725 2 2625 1 a-Alanine, conf. I
146922.7824 0.0607 -6.0738 3 112.5817165 89502 3032725 3 2625 2 a-Alanine, conf. I
146925.7143 0.0074 -5.9227 3 35.7175111 89502 3031811 8 1710 8 a-Alanine, conf. I
146926.9568 0.0074 -4.8915 3 35.7175111 89502 3031811 7 1710 8 a-Alanine, conf. I
146927.5046 1.6418 -5.4469 3 611.4414453 89502 303753540 753441 a-Alanine, conf. I
146927.6629 0.0312 -5.1803 3 72.5846171 89502 30328 722 27 721 a-Alanine, conf. I
146927.7473 1.6416 -5.4469 3 611.4414453 89502 303753541 753442 a-Alanine, conf. I
146938.4265 0.0313 -5.1802 3 72.5840171 89502 30328 622 27 621 a-Alanine, conf. I
146946.3015 0.0313 -4.7475 3 72.5840171 89502 30328 722 27 621 a-Alanine, conf. I
146966.0662 0.7514 -5.9916 3 202.7942267 89502 303441826 441529 a-Alanine, conf. I
146976.5697 0.1319 -5.2958 3 216.7368237 89502 3033932 7 3931 8 a-Alanine, conf. I
146976.5697 0.1319 -5.2958 3 216.7368237 89502 3033932 8 3931 9 a-Alanine, conf. I
146993.0274 8.5431 -6.0143 3 954.0935585 89502 303973266 973167 a-Alanine, conf. I
147018.6784 0.0531 -5.8976 3 108.7524165 89502 3032724 3 2624 2 a-Alanine, conf. I
147018.6784 0.0531 -5.8976 3 108.7524165 89502 3032724 4 2624 3 a-Alanine, conf. I
147027.9669 0.6187 -5.5716 3 151.4676231 89502 303381622 371721 a-Alanine, conf. I
147028.2298 0.0088 -4.9701 3 37.6406117 89502 303191010 18 9 9 a-Alanine, conf. I
147038.9669 0.0794 -4.9639 3 71.1232165 89502 30327 819 26 918 a-Alanine, conf. I
147095.3550 0.0089 -5.9249 3 37.6406117 89502 3031910 9 18 9 9 a-Alanine, conf. I
147110.6923 0.1360 -5.3345 3 209.6442231 89502 3033832 6 3831 7 a-Alanine, conf. I
147110.6923 0.1360 -5.3345 3 209.6442231 89502 3033832 7 3831 8 a-Alanine, conf. I
147128.1722 0.0466 -5.7729 3 105.0829165 89502 3032723 4 2623 3 a-Alanine, conf. I
147128.1722 0.0466 -5.7729 3 105.0829165 89502 3032723 5 2623 4 a-Alanine, conf. I
147162.0712 0.7168 -6.0615 3 330.6909321 89502 303533122 523221 a-Alanine, conf. I
147162.0712 0.7168 -6.0615 3 330.6909321 89502 303533123 523220 a-Alanine, conf. I
147176.9728 2.3462 -5.5855 3 703.6161489 89502 303813645 813546 a-Alanine, conf. I
147180.3374 2.3427 -5.5855 3 703.6159489 89502 303813646 813547 a-Alanine, conf. I
147180.5382 3.9597 -5.5833 3 688.3649501 89502 303832459 832360 a-Alanine, conf. I
147183.7713 3.9566 -5.5833 3 688.3649501 89502 303832559 832460 a-Alanine, conf. I
147234.3242 0.1424 -5.3825 3 202.7365225 89502 3033732 5 3731 6 a-Alanine, conf. I
147234.3242 0.1424 -5.3825 3 202.7365225 89502 3033732 6 3731 7 a-Alanine, conf. I
147253.8910 0.0415 -5.6768 3 101.5737165 89502 3032722 5 2622 4 a-Alanine, conf. I
147253.8910 0.0415 -5.6768 3 101.5737165 89502 3032722 6 2622 5 a-Alanine, conf. I
147257.8703 0.4954 -5.1762 3 381.0757345 89502 303573324 573225 a-Alanine, conf. I
147257.8703 0.4954 -6.5816 3 381.0757345 89502 303573324 573226 a-Alanine, conf. I
147257.8703 0.4954 -6.5816 3 381.0757345 89502 303573325 573225 a-Alanine, conf. I
147257.8703 0.4954 -5.1762 3 381.0757345 89502 303573325 573226 a-Alanine, conf. I
147282.7820 1.8316 -6.0826 3 182.4499255 89502 303421626 421329 a-Alanine, conf. I
147302.8086 0.9349 -6.5260 3 499.0292381 89502 303634221 624320 a-Alanine, conf. I
147302.8086 0.9349 -6.5260 3 499.0292381 89502 303634222 624319 a-Alanine, conf. I
147309.4850 13.4400 -6.2689 3 1099.3751627 89502 303A43470 A43371 a-Alanine, conf. I
147314.7920 0.0098 -5.9239 3 37.6310117 89502 303191010 18 910 a-Alanine, conf. I
147325.6831 7.9519 -5.9445 3 913.6727573 89502 303953065 952966 a-Alanine, conf. I
147329.1661 0.6965 -5.4976 3 212.8187309 89502 30351 348 51 249 a-Alanine, conf. I
147329.1661 0.6965 -5.4976 3 212.8187309 89502 30351 448 51 349 a-Alanine, conf. I
147337.1506 0.9932 -5.2961 3 500.8910405 89502 303673433 673334 a-Alanine, conf. I
147337.1525 0.9932 -5.2961 3 500.8910405 89502 303673434 673335 a-Alanine, conf. I
147347.0709 0.7472 -6.5074 3 109.4353195 89502 303321517 321220 a-Alanine, conf. I
147348.0493 0.1505 -5.4429 3 196.0135219 89502 3033632 4 3631 5 a-Alanine, conf. I
147348.0493 0.1505 -5.4429 3 196.0135219 89502 3033632 5 3631 6 a-Alanine, conf. I
147381.9173 0.0105 -4.9686 3 37.6310117 89502 3031910 9 18 910 a-Alanine, conf. I
147383.6353 0.1053 -5.1303 3 52.2895141 89502 30323 915 22 814 a-Alanine, conf. I
147386.9456 0.5761 -5.2372 3 314.1856357 89502 30359 950 59 851 a-Alanine, conf. I
147386.9456 0.5761 -6.4619 3 314.1856357 89502 30359 950 59 951 a-Alanine, conf. I
147386.9456 0.5761 -6.4619 3 314.1856357 89502 303591050 59 851 a-Alanine, conf. I
147386.9456 0.5761 -5.2372 3 314.1856357 89502 303591050 59 951 a-Alanine, conf. I
147391.5684 12.4275 -6.3451 3 1143.4236639 89502 303A63671 A63572 a-Alanine, conf. I
147399.1654 0.0382 -5.5987 3 98.2254165 89502 3032721 6 2621 5 a-Alanine, conf. I
147399.1654 0.0382 -5.5987 3 98.2254165 89502 3032721 7 2621 6 a-Alanine, conf. I
147452.4283 0.1598 -5.5211 3 189.4749213 89502 3033532 3 3531 4 a-Alanine, conf. I
147452.4283 0.1598 -5.5211 3 189.4749213 89502 3033532 4 3531 5 a-Alanine, conf. I
147455.5517 5.8103 -6.0239 3 966.7894579 89502 303963957 963858 a-Alanine, conf. I
147492.4652 0.1178 -5.2359 3 69.2221159 89502 303261115 251114 a-Alanine, conf. I
147517.1965 7.6978 -5.9434 3 913.6738573 89502 303953165 953066 a-Alanine, conf. I
147523.1188 1.6262 -6.0065 3 200.8409267 89502 303441727 441430 a-Alanine, conf. I
147535.8547 1.6947 -5.3216 3 488.1776429 89502 303711754 711655 a-Alanine, conf. I
147535.8570 1.6947 -5.3216 3 488.1776429 89502 303711854 711755 a-Alanine, conf. I
147548.0000 0.1700 -5.6276 3 183.1205207 89502 3033432 2 3431 3 a-Alanine, conf. I
147548.0000 0.1700 -5.6276 3 183.1205207 89502 3033432 3 3431 4 a-Alanine, conf. I
147568.2845 0.0370 -5.5333 3 95.0390165 89502 3032720 7 2620 6 a-Alanine, conf. I
147568.2845 0.0370 -5.5333 3 95.0390165 89502 3032720 8 2620 7 a-Alanine, conf. I
147601.0492 4.4446 -5.6356 3 723.8489513 89502 303852560 852461 a-Alanine, conf. I
147607.6957 4.4377 -5.6356 3 723.8489513 89502 303852660 852561 a-Alanine, conf. I
147630.5792 2.4790 -5.4148 3 568.2802459 89502 303762056 761957 a-Alanine, conf. I
147630.6485 2.4789 -5.4148 3 568.2802459 89502 303762156 762057 a-Alanine, conf. I
147635.0410 0.5626 -5.3003 3 261.6719333 89502 30355 649 55 550 a-Alanine, conf. I
147635.0410 0.5626 -6.5017 3 261.6719333 89502 30355 649 55 650 a-Alanine, conf. I
147635.0410 0.5626 -6.5017 3 261.6719333 89502 30355 749 55 550 a-Alanine, conf. I
147635.0410 0.5626 -5.3003 3 261.6719333 89502 30355 749 55 650 a-Alanine, conf. I
147635.2827 0.1807 -5.7853 3 176.9501201 89502 3033332 1 3331 2 a-Alanine, conf. I
147635.2827 0.1807 -5.7853 3 176.9501201 89502 3033332 2 3331 3 a-Alanine, conf. I
147650.6560 0.7390 -6.0970 3 345.3521327 89502 303543222 533321 a-Alanine, conf. I
147650.6560 0.7390 -6.0970 3 345.3521327 89502 303543223 533320 a-Alanine, conf. I
147670.9137 0.4565 -5.1687 3 370.6198339 89502 303563323 563224 a-Alanine, conf. I
147670.9137 0.4565 -6.5695 3 370.6198339 89502 303563323 563225 a-Alanine, conf. I
147670.9137 0.4565 -6.5695 3 370.6198339 89502 303563324 563224 a-Alanine, conf. I
147670.9137 0.4565 -5.1687 3 370.6198339 89502 303563324 563225 a-Alanine, conf. I
147706.6854 7.9027 -6.3418 3 1146.3970633 89502 303A54165 A54066 a-Alanine, conf. I
147714.7750 0.1918 -6.0681 3 170.9635195 89502 3033232 0 3231 1 a-Alanine, conf. I
147714.7750 0.1918 -6.0681 3 170.9635195 89502 3033232 1 3231 2 a-Alanine, conf. I
147715.5189 2.5306 -6.5686 3 321.4610339 89502 303561937 552234 a-Alanine, conf. I
147754.0475 0.1161 -5.0997 3 56.7476147 89502 30324 916 23 815 a-Alanine, conf. I
147760.8761 7.0450 -5.8762 3 874.0664561 89502 303932964 932865 a-Alanine, conf. I
147766.8571 5.3565 -6.0221 3 966.7771579 89502 303963958 963859 a-Alanine, conf. I
147766.8752 0.0380 -5.4772 3 92.0155165 89502 3032719 8 2619 7 a-Alanine, conf. I
147766.8752 0.0380 -5.4772 3 92.0155165 89502 3032719 9 2619 8 a-Alanine, conf. I
147768.1988 0.0179 -6.5045 3 17.9243 93 89502 30315 312 14 213 a-Alanine, conf. I
147808.3470 0.2815 -6.5326 3 97.2380189 89502 303311120 301218 a-Alanine, conf. I
147860.9402 1.5295 -5.4235 3 597.5531447 89502 303743539 743440 a-Alanine, conf. I
147861.0433 1.5294 -5.4235 3 597.5531447 89502 303743540 743441 a-Alanine, conf. I
147861.8363 6.9167 -5.8756 3 874.0670561 89502 303933064 932965 a-Alanine, conf. I
147883.3835 4.9836 -5.6910 3 760.1645525 89502 303872661 872562 a-Alanine, conf. I
147894.3455 0.9676 -6.5672 3 517.2162387 89502 303644321 634420 a-Alanine, conf. I
147894.3455 0.9676 -6.5672 3 517.2162387 89502 303644322 634419 a-Alanine, conf. I
147896.8236 4.9688 -5.6909 3 760.1645525 89502 303872761 872662 a-Alanine, conf. I
147917.4625 0.7257 -5.2320 3 354.6921375 89502 303621151 621052 a-Alanine, conf. I
147917.4625 0.7257 -6.4727 3 354.6921375 89502 303621151 621152 a-Alanine, conf. I
147917.4625 0.7257 -6.4727 3 354.6921375 89502 303621251 621052 a-Alanine, conf. I
147917.4625 0.7257 -5.2320 3 354.6921375 89502 303621251 621152 a-Alanine, conf. I
147918.8488 3.1227 -5.7156 3 786.5216519 89502 303863749 863650 a-Alanine, conf. I
147934.6949 0.0349 -5.1112 3 77.5998189 89502 30331 229 30 228 a-Alanine, conf. I
147934.6949 0.0349 -4.5222 3 77.5998189 89502 30331 229 30 328 a-Alanine, conf. I
147934.6949 0.0349 -4.5222 3 77.5998189 89502 30331 329 30 228 a-Alanine, conf. I
147934.6949 0.0349 -5.1112 3 77.5998189 89502 30331 329 30 328 a-Alanine, conf. I
147936.2828 3.1021 -5.7155 3 786.5209519 89502 303863750 863651 a-Alanine, conf. I
147951.7083 0.0171 -6.5037 3 17.9243 93 89502 30315 412 14 113 a-Alanine, conf. I
147981.3542 6.2668 -5.8113 3 835.2770549 89502 303912863 912764 a-Alanine, conf. I
148000.6804 0.9252 -5.2793 3 488.5365399 89502 303663432 663333 a-Alanine, conf. I
148000.6812 0.9252 -5.2793 3 488.5365399 89502 303663433 663334 a-Alanine, conf. I
148002.4874 0.0409 -5.4282 3 89.1564165 89502 3032718 9 2618 8 a-Alanine, conf. I
148002.4874 0.0409 -5.4282 3 89.1564165 89502 303271810 2618 9 a-Alanine, conf. I
148015.3366 5.5864 -5.7495 3 797.3084537 89502 303892762 892663 a-Alanine, conf. I
148025.5413 17.7375 -6.4629 3 1208.4000657 89502 303A93673 A93574 a-Alanine, conf. I
148028.9530 1.2933 -5.2774 3 441.7073411 89502 303681553 681454 a-Alanine, conf. I
148028.9530 1.2933 -6.5529 3 441.7073411 89502 303681553 681554 a-Alanine, conf. I
148028.9532 1.2933 -6.5529 3 441.7073411 89502 303681653 681454 a-Alanine, conf. I
148028.9532 1.2933 -5.2774 3 441.7073411 89502 303681653 681554 a-Alanine, conf. I
148033.7298 6.2032 -5.8109 3 835.2772549 89502 303912963 912864 a-Alanine, conf. I
148042.0800 5.5555 -5.7494 3 797.3085537 89502 303892862 892763 a-Alanine, conf. I
148059.5929 0.4198 -5.1624 3 360.3538333 89502 303553322 553223 a-Alanine, conf. I
148059.5929 0.4198 -6.5588 3 360.3538333 89502 303553322 553224 a-Alanine, conf. I
148059.5929 0.4198 -6.5588 3 360.3538333 89502 303553323 553223 a-Alanine, conf. I
148059.5929 0.4198 -5.1624 3 360.3538333 89502 303553323 553224 a-Alanine, conf. I
148068.2561 4.1999 -5.8616 3 874.2449549 89502 303913853 913754 a-Alanine, conf. I
148142.4279 0.9693 -5.2467 3 397.2055393 89502 303651352 651253 a-Alanine, conf. I
148142.4279 0.9693 -6.5044 3 397.2055393 89502 303651352 651353 a-Alanine, conf. I
148142.4279 0.9693 -6.5044 3 397.2055393 89502 303651452 651253 a-Alanine, conf. I
148142.4279 0.9693 -5.2467 3 397.2055393 89502 303651452 651353 a-Alanine, conf. I
148146.9338 4.0958 -5.8611 3 874.2419549 89502 303913854 913755 a-Alanine, conf. I
148153.7901 0.7620 -6.1331 3 360.3506333 89502 303553322 543421 a-Alanine, conf. I
148153.7901 0.7620 -6.1331 3 360.3506333 89502 303553323 543420 a-Alanine, conf. I
148157.8261 0.7680 -5.6403 3 199.9356303 89502 30350 248 50 149 a-Alanine, conf. I
148157.8261 0.7680 -5.6403 3 199.9356303 89502 30350 348 50 249 a-Alanine, conf. I
148163.3204 0.0200 -5.9190 3 39.9441123 89502 30320 912 19 812 a-Alanine, conf. I
148222.5578 0.0266 -6.1242 3 34.8728123 89502 30320 416 19 316 a-Alanine, conf. I
148232.3228 0.0319 -4.6669 3 75.3769177 89502 30329 524 28 623 a-Alanine, conf. I
148232.5046 0.0319 -5.1560 3 75.3769177 89502 30329 624 28 623 a-Alanine, conf. I
148232.7890 0.0319 -5.1560 3 75.3769177 89502 30329 524 28 523 a-Alanine, conf. I
148232.9709 0.0319 -4.6669 3 75.3769177 89502 30329 624 28 523 a-Alanine, conf. I
148236.6806 0.6798 -5.4463 3 104.4906195 89502 303321220 311319 a-Alanine, conf. I
148254.9420 0.0262 -6.1240 3 34.8730123 89502 30320 516 19 416 a-Alanine, conf. I
148285.5412 0.0455 -5.3850 3 86.4636165 89502 303271711 261710 a-Alanine, conf. I
148285.5424 0.0455 -5.3850 3 86.4636165 89502 303271710 2617 9 a-Alanine, conf. I
148313.4587 7.3703 -6.1587 3 1045.2480603 89502 303A04060 A03961 a-Alanine, conf. I
148344.4781 2.1785 -5.5576 3 688.5748483 89502 303803644 803545 a-Alanine, conf. I
148346.0190 2.1769 -5.5576 3 688.5748483 89502 303803645 803546 a-Alanine, conf. I
148362.2143 1.8430 -6.1764 3 164.8966243 89502 303401525 401228 a-Alanine, conf. I
148411.7369 0.1491 -5.5847 3 140.2492225 89502 303371424 361521 a-Alanine, conf. I
148425.1797 0.3853 -5.1574 3 350.2772327 89502 303543321 543222 a-Alanine, conf. I
148425.1797 0.3853 -6.5494 3 350.2772327 89502 303543321 543223 a-Alanine, conf. I
148425.1797 0.3853 -6.5494 3 350.2772327 89502 303543322 543222 a-Alanine, conf. I
148425.1797 0.3853 -5.1574 3 350.2772327 89502 303543322 543223 a-Alanine, conf. I
148437.7739 0.1124 -5.0499 3 61.3662153 89502 30325 917 24 816 a-Alanine, conf. I
148488.6825 1.0019 -6.6090 3 535.7393393 89502 303654421 644520 a-Alanine, conf. I
148488.6825 1.0019 -6.6090 3 535.7393393 89502 303654422 644519 a-Alanine, conf. I
148533.0186 8.9421 -6.4933 3 1231.7282657 89502 303A94268 A94169 a-Alanine, conf. I
148533.8947 11.4815 -6.2618 3 1099.3835627 89502 303A43570 A43471 a-Alanine, conf. I
148544.0341 0.0309 -6.0324 3 22.8533 99 89502 30316 611 15 312 a-Alanine, conf. I
148552.5165 2.8076 -5.4550 3 600.8126471 89502 303782157 782058 a-Alanine, conf. I
148552.6721 2.8075 -5.4550 3 600.8126471 89502 303782257 782158 a-Alanine, conf. I
148577.5930 0.5572 -5.2502 3 299.4646351 89502 30358 850 58 751 a-Alanine, conf. I
148577.5930 0.5572 -6.4664 3 299.4646351 89502 30358 850 58 851 a-Alanine, conf. I
148577.5930 0.5572 -6.4664 3 299.4646351 89502 30358 950 58 751 a-Alanine, conf. I
148577.5930 0.5572 -5.2502 3 299.4646351 89502 30358 950 58 851 a-Alanine, conf. I
148626.7432 0.8616 -5.2634 3 476.3753393 89502 303653431 653332 a-Alanine, conf. I
148626.7435 0.8616 -5.2634 3 476.3753393 89502 303653432 653333 a-Alanine, conf. I
148630.2680 0.6124 -5.3438 3 247.8612327 89502 30354 549 54 450 a-Alanine, conf. I
148630.2680 0.6124 -6.5376 3 247.8612327 89502 30354 549 54 550 a-Alanine, conf. I
148630.2680 0.6124 -6.5376 3 247.8612327 89502 30354 649 54 450 a-Alanine, conf. I
148630.2680 0.6124 -5.3438 3 247.8612327 89502 30354 649 54 550 a-Alanine, conf. I
148630.9439 0.0513 -5.3463 3 83.9396165 89502 303271612 261611 a-Alanine, conf. I
148630.9709 0.0513 -5.3463 3 83.9396165 89502 303271611 261610 a-Alanine, conf. I
148669.5823 0.7857 -6.1696 3 375.6864339 89502 303563422 553521 a-Alanine, conf. I
148669.5823 0.7857 -6.1696 3 375.6864339 89502 303563423 553520 a-Alanine, conf. I
148694.7951 0.0153 -6.0274 3 23.8452 99 89502 30316 710 15 411 a-Alanine, conf. I
148740.3660 1.4260 -5.4012 3 583.8615441 89502 303733538 733439 a-Alanine, conf. I
148740.4089 1.4260 -5.4012 3 583.8615441 89502 303733539 733440 a-Alanine, conf. I
148763.2606 1.9438 -5.3523 3 518.5669441 89502 303731855 731756 a-Alanine, conf. I
148763.2663 1.9438 -5.3523 3 518.5669441 89502 303731955 731856 a-Alanine, conf. I
148768.8647 0.3527 -5.1536 3 340.3897321 89502 303533320 533221 a-Alanine, conf. I
148768.8647 0.3527 -6.5415 3 340.3897321 89502 303533320 533222 a-Alanine, conf. I
148768.8647 0.3527 -6.5415 3 340.3897321 89502 303533321 533221 a-Alanine, conf. I
148768.8647 0.3527 -5.1536 3 340.3897321 89502 303533321 533222 a-Alanine, conf. I
148798.7332 9.4794 -6.3030 3 1126.7855627 89502 303A44163 A44064 a-Alanine, conf. I
148822.5016 0.0359 -5.1931 3 71.1232165 89502 30327 919 26 918 a-Alanine, conf. I
148830.0844 12.3794 -6.4573 3 1211.3961651 89502 303A84266 A84167 a-Alanine, conf. I
148845.2133 11.5436 -6.1853 3 1056.1343615 89502 303A23369 A23270 a-Alanine, conf. I
148910.3586 0.1686 -6.5247 3 93.7118183 89502 303301318 301021 a-Alanine, conf. I
148918.3215 6.4099 -6.1551 3 1045.2239603 89502 303A04061 A03962 a-Alanine, conf. I
148937.6778 0.8418 -5.9086 3 187.2806297 89502 30349 148 49 049 a-Alanine, conf. I
148937.6778 0.8418 -5.9086 3 187.2806297 89502 30349 248 49 149 a-Alanine, conf. I
148938.4527 14.5538 -6.5391 3 1254.4470669 89502 303B13874 B13775 a-Alanine, conf. I
148972.4729 2.3733 -6.1392 3 204.2863273 89502 303451531 441628 a-Alanine, conf. I
149001.2331 0.0121 -5.8835 3 43.9472129 89502 30321 912 20 812 a-Alanine, conf. I
149060.9416 0.0585 -5.3113 3 81.5882165 89502 303271513 261512 a-Alanine, conf. I
149061.4184 0.0585 -5.3113 3 81.5882165 89502 303271512 261511 a-Alanine, conf. I
149091.7662 0.3222 -5.1512 3 330.6909315 89502 303523319 523220 a-Alanine, conf. I
149091.7662 0.3222 -6.5350 3 330.6909315 89502 303523319 523221 a-Alanine, conf. I
149091.7662 0.3222 -6.5350 3 330.6909315 89502 303523320 523220 a-Alanine, conf. I
149091.7662 0.3222 -5.1512 3 330.6909315 89502 303523320 523221 a-Alanine, conf. I
149106.5670 3.0920 -6.5657 3 362.1207363 89502 303601842 592139 a-Alanine, conf. I
149196.4208 0.8102 -6.2067 3 391.3592345 89502 303573522 563621 a-Alanine, conf. I
149196.4208 0.8102 -6.2067 3 391.3592345 89502 303573523 563620 a-Alanine, conf. I
149217.5775 0.8019 -5.2485 3 464.4069387 89502 303643430 643331 a-Alanine, conf. I
149217.5776 0.8019 -5.2485 3 464.4069387 89502 303643431 643332 a-Alanine, conf. I
149219.7703 4.0446 -6.4047 3 282.6153321 89502 303531737 521834 a-Alanine, conf. I
149255.9352 0.6513 -5.2332 3 339.2901369 89502 303611051 61 952 a-Alanine, conf. I
149255.9352 0.6513 -6.4650 3 339.2901369 89502 303611051 611052 a-Alanine, conf. I
149255.9352 0.6513 -6.4650 3 339.2901369 89502 303611151 61 952 a-Alanine, conf. I
149255.9352 0.6513 -5.2332 3 339.2901369 89502 303611151 611052 a-Alanine, conf. I
149260.2619 0.3848 -5.2377 3 84.3409177 89502 303291019 281118 a-Alanine, conf. I
149296.2153 2.8856 -5.6840 3 770.5211513 89502 303853748 853649 a-Alanine, conf. I
149304.6190 2.8758 -5.6839 3 770.5208513 89502 303853749 853650 a-Alanine, conf. I
149362.8010 0.0475 -5.0856 3 79.5591195 89502 30332 131 31 130 a-Alanine, conf. I
149362.8010 0.0475 -4.4735 3 79.5591195 89502 30332 131 31 230 a-Alanine, conf. I
149362.8010 0.0475 -4.4735 3 79.5591195 89502 30332 231 31 130 a-Alanine, conf. I
149362.8010 0.0475 -5.0856 3 79.5591195 89502 30332 231 31 230 a-Alanine, conf. I
149371.0992 3.1690 -5.4984 3 634.1891483 89502 303802258 802159 a-Alanine, conf. I
149371.4421 3.1686 -5.4984 3 634.1891483 89502 303802358 802259 a-Alanine, conf. I
149394.9362 0.2936 -5.1503 3 321.1806309 89502 303513318 513219 a-Alanine, conf. I
149394.9362 0.2936 -6.5301 3 321.1806309 89502 303513318 513220 a-Alanine, conf. I
149394.9362 0.2936 -6.5301 3 321.1806309 89502 303513319 513219 a-Alanine, conf. I
149394.9362 0.2936 -5.1503 3 321.1806309 89502 303513319 513220 a-Alanine, conf. I
149399.9349 3.3061 -6.2844 3 241.8978297 89502 303491634 481731 a-Alanine, conf. I
149440.0307 1.4991 -5.3013 3 470.7898423 89502 303701654 701555 a-Alanine, conf. I
149440.0307 1.4991 -6.5848 3 470.7898423 89502 303701654 701655 a-Alanine, conf. I
149440.0311 1.4991 -5.3013 3 470.7898423 89502 303701754 701655 a-Alanine, conf. I
149440.0312 1.4991 -6.5848 3 470.7898423 89502 303701754 701555 a-Alanine, conf. I
149441.1279 2.0266 -5.5307 3 673.7330477 89502 303793643 793544 a-Alanine, conf. I
149441.8199 2.0259 -5.5307 3 673.7330477 89502 303793644 793545 a-Alanine, conf. I
149445.3749 0.0222 -6.2269 3 33.2680123 89502 30320 317 19 217 a-Alanine, conf. I
149447.1987 0.0222 -6.2269 3 33.2680123 89502 30320 417 19 317 a-Alanine, conf. I
149462.2053 5.2126 -5.9838 3 948.8546573 89502 303953956 953857 a-Alanine, conf. I
149523.2125 10.4877 -6.1814 3 1056.1387615 89502 303A23469 A23370 a-Alanine, conf. I
149567.5526 0.6748 -5.4057 3 234.2731321 89502 30353 449 53 350 a-Alanine, conf. I
149567.5526 0.6748 -6.5921 3 234.2731321 89502 30353 449 53 450 a-Alanine, conf. I
149567.5526 0.6748 -6.5921 3 234.2731321 89502 30353 549 53 350 a-Alanine, conf. I
149567.5526 0.6748 -5.4057 3 234.2731321 89502 30353 549 53 450 a-Alanine, conf. I
149569.6504 1.3305 -5.3797 3 570.3659435 89502 303723537 723438 a-Alanine, conf. I
149569.6679 1.3305 -5.3797 3 570.3659435 89502 303723538 723439 a-Alanine, conf. I
149596.9944 1.1937 -5.9546 3 220.0616279 89502 303461828 461531 a-Alanine, conf. I
149609.1696 0.0669 -5.2793 3 79.4148165 89502 303271414 261413 a-Alanine, conf. I
149612.3643 0.0319 -4.5999 3 77.9582183 89502 30330 426 29 525 a-Alanine, conf. I
149612.3671 0.0319 -5.1311 3 77.9582183 89502 30330 526 29 525 a-Alanine, conf. I
149612.3719 0.0319 -5.1311 3 77.9582183 89502 30330 426 29 425 a-Alanine, conf. I
149612.3747 0.0319 -4.5999 3 77.9582183 89502 30330 526 29 425 a-Alanine, conf. I
149615.8416 0.0673 -5.2793 3 79.4149165 89502 303271413 261412 a-Alanine, conf. I
149617.2531 0.0091 -5.8476 3 34.3902 93 89502 3031515 0 1414 0 a-Alanine, conf. I
149617.2531 0.0091 -4.6856 3 34.3902 93 89502 3031515 0 1414 1 a-Alanine, conf. I
149617.2531 0.0091 -4.6856 3 34.3902 93 89502 3031515 1 1414 0 a-Alanine, conf. I
149617.2531 0.0091 -5.8476 3 34.3902 93 89502 3031515 1 1414 1 a-Alanine, conf. I
149627.6676 4.9718 -5.9829 3 948.8481573 89502 303953957 953858 a-Alanine, conf. I
149646.1375 0.8489 -5.2393 3 381.1316387 89502 303641252 641153 a-Alanine, conf. I
149646.1375 0.8489 -6.4874 3 381.1316387 89502 303641252 641253 a-Alanine, conf. I
149646.1375 0.8489 -6.4874 3 381.1316387 89502 303641352 641153 a-Alanine, conf. I
149646.1375 0.8489 -5.2393 3 381.1316387 89502 303641352 641253 a-Alanine, conf. I
149679.3674 0.2670 -5.1510 3 311.8583303 89502 303503317 503218 a-Alanine, conf. I
149679.3674 0.2670 -6.5269 3 311.8583303 89502 303503317 503219 a-Alanine, conf. I
149679.3674 0.2670 -6.5269 3 311.8583303 89502 303503318 503218 a-Alanine, conf. I
149679.3674 0.2670 -5.1510 3 311.8583303 89502 303503318 503219 a-Alanine, conf. I
149698.4757 0.5678 -5.2707 3 284.9603345 89502 30357 750 57 651 a-Alanine, conf. I
149698.4757 0.5678 -6.4789 3 284.9603345 89502 30357 750 57 751 a-Alanine, conf. I
149698.4757 0.5678 -6.4789 3 284.9603345 89502 30357 850 57 651 a-Alanine, conf. I
149698.4757 0.5678 -5.2707 3 284.9603345 89502 30357 850 57 751 a-Alanine, conf. I
149709.7151 3.8431 -5.8260 3 857.2806543 89502 303903852 903753 a-Alanine, conf. I
149719.3520 1.1346 -5.2630 3 424.9712405 89502 303671453 671354 a-Alanine, conf. I
149719.3520 1.1346 -6.5283 3 424.9712405 89502 303671453 671454 a-Alanine, conf. I
149719.3521 1.1346 -6.5283 3 424.9712405 89502 303671553 671354 a-Alanine, conf. I
149719.3521 1.1346 -5.2630 3 424.9712405 89502 303671553 671454 a-Alanine, conf. I
149732.9226 0.8355 -6.2444 3 407.3690351 89502 303583622 573721 a-Alanine, conf. I
149732.9226 0.8355 -6.2444 3 407.3690351 89502 303583623 573720 a-Alanine, conf. I
149749.5503 3.7908 -5.8258 3 857.2791543 89502 303903853 903754 a-Alanine, conf. I
149775.2296 0.7459 -5.2345 3 452.6309381 89502 303633429 633330 a-Alanine, conf. I
149775.2297 0.7459 -5.2345 3 452.6309381 89502 303633430 633331 a-Alanine, conf. I
149791.2141 0.0444 -5.1027 3 39.9441123 89502 30320 911 19 812 a-Alanine, conf. I
149799.6234 4.5343 -6.5036 3 326.3883345 89502 303571840 561937 a-Alanine, conf. I
149841.8113 0.0950 -4.9892 3 66.1250159 89502 30326 918 25 817 a-Alanine, conf. I
149875.2769 0.7165 -6.4400 3 308.3830333 89502 303551837 542134 a-Alanine, conf. I
149902.5135 2.2182 -5.3865 3 549.8085453 89502 303751956 751857 a-Alanine, conf. I
149902.5269 2.2182 -5.3865 3 549.8085453 89502 303752056 751957 a-Alanine, conf. I
149918.1682 7.5569 -6.2965 3 1126.7405627 89502 303A44164 A44065 a-Alanine, conf. I
149945.9980 0.2424 -5.1534 3 302.7237297 89502 303493316 493217 a-Alanine, conf. I
149945.9980 0.2424 -6.5255 3 302.7237297 89502 303493316 493218 a-Alanine, conf. I
149945.9980 0.2424 -6.5255 3 302.7237297 89502 303493317 493217 a-Alanine, conf. I
149945.9980 0.2424 -5.1534 3 302.7237297 89502 303493317 493218 a-Alanine, conf. I
149966.4567 10.0665 -6.1061 3 1013.6917603 89502 303A03268 A03169 a-Alanine, conf. I
150080.8676 3.5663 -5.5451 3 668.4069495 89502 303822359 822260 a-Alanine, conf. I
150081.6094 3.5656 -5.5451 3 668.4069495 89502 303822459 822360 a-Alanine, conf. I
150110.2702 0.0335 -4.8005 3 74.4221171 89502 30328 721 27 820 a-Alanine, conf. I
150195.7169 0.2201 -5.1577 3 293.7766291 89502 303483315 483216 a-Alanine, conf. I
150195.7169 0.2201 -6.5261 3 293.7766291 89502 303483315 483217 a-Alanine, conf. I
150195.7169 0.2201 -6.5261 3 293.7766291 89502 303483316 483216 a-Alanine, conf. I
150195.7169 0.2201 -5.1577 3 293.7766291 89502 303483316 483217 a-Alanine, conf. I
150201.7185 1.7110 -6.2809 3 148.1880231 89502 303381424 381127 a-Alanine, conf. I
150209.4898 0.0330 -5.1702 3 74.4221171 89502 30328 821 27 820 a-Alanine, conf. I
150277.8939 0.8617 -6.2826 3 423.7156357 89502 303593722 583821 a-Alanine, conf. I
150277.8939 0.8617 -6.2826 3 423.7156357 89502 303593723 583820 a-Alanine, conf. I
150278.3031 14.9299 -6.3705 3 1163.1640645 89502 303A73572 A73473 a-Alanine, conf. I
150301.2616 13.7177 -6.4499 3 1208.4169657 89502 303A93773 A93674 a-Alanine, conf. I
150301.5779 0.6932 -5.2215 3 441.0466375 89502 303623428 623329 a-Alanine, conf. I
150301.5779 0.6932 -5.2215 3 441.0466375 89502 303623429 623330 a-Alanine, conf. I
150314.7988 0.0764 -5.2496 3 77.4273165 89502 303271315 261314 a-Alanine, conf. I
150326.9029 0.0331 -5.1695 3 74.4148171 89502 30328 721 27 720 a-Alanine, conf. I
150335.0180 9.5108 -6.1040 3 1013.6940603 89502 303A03368 A03269 a-Alanine, conf. I
150352.2292 1.2418 -5.3592 3 557.0656429 89502 303713536 713437 a-Alanine, conf. I
150352.2362 1.2418 -5.3592 3 557.0656429 89502 303713537 713438 a-Alanine, conf. I
150354.2413 0.0331 -5.1821 3 71.0126165 89502 30327 819 26 818 a-Alanine, conf. I
150355.9207 0.0056 -5.8617 3 35.0068 99 89502 3031614 2 1513 2 a-Alanine, conf. I
150355.9207 0.0056 -4.7245 3 35.0068 99 89502 3031614 2 1513 3 a-Alanine, conf. I
150355.9207 0.0056 -4.7245 3 35.0068 99 89502 3031614 3 1513 2 a-Alanine, conf. I
150355.9207 0.0056 -5.8617 3 35.0068 99 89502 3031614 3 1513 3 a-Alanine, conf. I
150386.9921 0.0797 -5.2492 3 77.4288165 89502 303271314 261313 a-Alanine, conf. I
150400.9187 0.0273 -6.3823 3 31.5274123 89502 30320 218 19 118 a-Alanine, conf. I
150400.9844 0.0273 -6.3823 3 31.5274123 89502 30320 318 19 218 a-Alanine, conf. I
150426.1225 0.0336 -4.7985 3 74.4148171 89502 30328 821 27 720 a-Alanine, conf. I
150429.3675 0.2001 -5.1639 3 285.0165285 89502 303473314 473215 a-Alanine, conf. I
150429.3675 0.2001 -6.5288 3 285.0165285 89502 303473314 473216 a-Alanine, conf. I
150429.3675 0.2001 -6.5288 3 285.0165285 89502 303473315 473215 a-Alanine, conf. I
150429.3675 0.2001 -5.1639 3 285.0165285 89502 303473315 473216 a-Alanine, conf. I
150443.7748 0.7608 -5.5288 3 142.2636225 89502 303371522 361621 a-Alanine, conf. I
150450.5778 0.7450 -5.4963 3 220.9096315 89502 30352 349 52 250 a-Alanine, conf. I
150450.5778 0.7450 -5.4963 3 220.9096315 89502 30352 449 52 350 a-Alanine, conf. I
150454.2048 1.0106 -5.8267 3 162.0818243 89502 303401427 391524 a-Alanine, conf. I
150472.9788 1.8883 -5.5047 3 659.0896471 89502 303783642 783543 a-Alanine, conf. I
150473.2836 1.8880 -5.5047 3 659.0896471 89502 303783643 783544 a-Alanine, conf. I
150502.1176 0.2011 -5.0663 3 77.6100171 89502 30328 919 271018 a-Alanine, conf. I
150515.4019 0.6057 -5.2396 3 324.1004363 89502 30360 951 60 852 a-Alanine, conf. I
150515.4019 0.6057 -6.4629 3 324.1004363 89502 30360 951 60 952 a-Alanine, conf. I
150515.4019 0.6057 -6.4629 3 324.1004363 89502 303601051 60 852 a-Alanine, conf. I
150515.4019 0.6057 -5.2396 3 324.1004363 89502 303601051 60 952 a-Alanine, conf. I
150523.1880 0.6152 -5.7132 3 222.0737273 89502 303452224 442321 a-Alanine, conf. I
150524.4095 0.6155 -5.7132 3 222.0737273 89502 303452223 442322 a-Alanine, conf. I
150540.7561 0.6028 -5.6814 3 210.6270267 89502 303442124 432221 a-Alanine, conf. I
150546.1428 0.6038 -5.6814 3 210.6270267 89502 303442123 432222 a-Alanine, conf. I
150584.7316 2.6753 -5.6534 3 754.7223507 89502 303843747 843648 a-Alanine, conf. I
150588.7057 2.6707 -5.6534 3 754.7222507 89502 303843748 843649 a-Alanine, conf. I
150595.3467 6.5110 -6.1152 3 1026.5476597 89502 303994059 993960 a-Alanine, conf. I
150605.3143 0.6296 -5.7453 3 233.8618279 89502 303462324 452421 a-Alanine, conf. I
150605.5790 0.6297 -5.7453 3 233.8618279 89502 303462323 452422 a-Alanine, conf. I
150647.7518 0.1826 -5.1725 3 276.4433279 89502 303463313 463214 a-Alanine, conf. I
150647.7518 0.1826 -6.5338 3 276.4433279 89502 303463313 463215 a-Alanine, conf. I
150647.7518 0.1826 -6.5338 3 276.4433279 89502 303463314 463214 a-Alanine, conf. I
150647.7518 0.1826 -5.1725 3 276.4433279 89502 303463314 463215 a-Alanine, conf. I
150675.5695 4.0037 -5.5949 3 703.4630507 89502 303842460 842361 a-Alanine, conf. I
150677.1462 4.0020 -5.5949 3 703.4630507 89502 303842560 842461 a-Alanine, conf. I
150682.9645 0.5923 -5.6499 3 199.5227261 89502 303432024 422121 a-Alanine, conf. I
150691.3942 19.7105 -6.5731 3 1275.1424675 89502 303B23775 B23676 a-Alanine, conf. I
150705.5519 0.5962 -5.6498 3 199.5226261 89502 303432023 422122 a-Alanine, conf. I
150754.4003 0.0880 -5.8521 3 47.2608135 89502 30322 814 21 714 a-Alanine, conf. I
150754.4704 0.6030 -5.3009 3 270.6748339 89502 30356 650 56 551 a-Alanine, conf. I
150754.4704 0.6030 -6.5013 3 270.6748339 89502 30356 650 56 651 a-Alanine, conf. I
150754.4704 0.6030 -6.5013 3 270.6748339 89502 30356 750 56 551 a-Alanine, conf. I
150754.4704 0.6030 -5.3009 3 270.6748339 89502 30356 750 56 651 a-Alanine, conf. I
150763.9998 8.8727 -6.0307 3 972.0530591 89502 303983167 983068 a-Alanine, conf. I
150767.2066 0.6456 -5.7778 3 245.9906285 89502 303472424 462521 a-Alanine, conf. I
150767.2616 0.6456 -5.7778 3 245.9906285 89502 303472423 462522 a-Alanine, conf. I
150770.7824 1.7274 -5.3291 3 500.7294435 89502 303721755 721656 a-Alanine, conf. I
150770.7834 1.7274 -5.3291 3 500.7294435 89502 303721855 721756 a-Alanine, conf. I
150782.1074 0.1304 -5.1930 3 67.9848159 89502 303261016 251015 a-Alanine, conf. I
150785.9675 0.0689 -5.0604 3 81.3354201 89502 30333 033 32 032 a-Alanine, conf. I
150785.9675 0.0689 -4.4288 3 81.3354201 89502 30333 033 32 132 a-Alanine, conf. I
150785.9675 0.0689 -4.4288 3 81.3354201 89502 30333 133 32 032 a-Alanine, conf. I
150785.9675 0.0689 -5.0604 3 81.3354201 89502 30333 133 32 132 a-Alanine, conf. I
150798.3526 0.6435 -5.2095 3 429.6538369 89502 303613427 613328 a-Alanine, conf. I
150798.3526 0.6435 -5.2095 3 429.6538369 89502 303613428 613329 a-Alanine, conf. I
150805.4907 8.7393 -6.4459 3 1211.3157651 89502 303A84267 A84168 a-Alanine, conf. I
150830.2978 0.8888 -6.3214 3 440.3989363 89502 303603822 593921 a-Alanine, conf. I
150830.2978 0.8888 -6.3214 3 440.3989363 89502 303603823 593920 a-Alanine, conf. I
150851.6335 0.1681 -5.1835 3 268.0567273 89502 303453312 453213 a-Alanine, conf. I
150851.6335 0.1681 -6.5415 3 268.0567273 89502 303453312 453214 a-Alanine, conf. I
150851.6335 0.1681 -6.5415 3 268.0567273 89502 303453313 453213 a-Alanine, conf. I
150851.6335 0.1681 -5.1835 3 268.0567273 89502 303453313 453214 a-Alanine, conf. I
150926.1156 5.9847 -6.1133 3 1026.5346597 89502 303994060 993961 a-Alanine, conf. I
150950.0632 2.5198 -5.4241 3 581.8997465 89502 303772057 771958 a-Alanine, conf. I
150950.0946 2.5198 -5.4241 3 581.8997465 89502 303772157 772058 a-Alanine, conf. I
150960.9533 8.5866 -6.0296 3 972.0541591 89502 303983267 983168 a-Alanine, conf. I
150975.6917 0.5827 -5.6188 3 188.7621255 89502 303421924 412021 a-Alanine, conf. I
150993.6202 0.6629 -5.8105 3 258.4595291 89502 303482524 472621 a-Alanine, conf. I
150993.6312 0.6629 -5.8105 3 258.4595291 89502 303482523 472622 a-Alanine, conf. I
151008.5165 0.0598 -5.1791 3 67.0790159 89502 30326 917 25 916 a-Alanine, conf. I
151011.2103 0.0552 -5.1897 3 72.5728165 89502 303271018 261017 a-Alanine, conf. I
151025.5960 0.0331 -4.5420 3 80.3415189 89502 30331 328 30 427 a-Alanine, conf. I
151025.5960 0.0331 -5.1061 3 80.3415189 89502 30331 428 30 427 a-Alanine, conf. I
151025.5961 0.0331 -5.1061 3 80.3415189 89502 30331 328 30 327 a-Alanine, conf. I
151025.5961 0.0331 -4.5420 3 80.3415189 89502 30331 428 30 327 a-Alanine, conf. I
151041.7413 0.1567 -5.1975 3 259.8563267 89502 303443311 443212 a-Alanine, conf. I
151041.7413 0.1567 -6.5521 3 259.8563267 89502 303443311 443213 a-Alanine, conf. I
151041.7413 0.1567 -6.5521 3 259.8563267 89502 303443312 443212 a-Alanine, conf. I
151041.7413 0.1567 -5.1975 3 259.8563267 89502 303443312 443213 a-Alanine, conf. I
151059.5813 0.7508 -5.2357 3 365.2652381 89502 303631152 631053 a-Alanine, conf. I
151059.5813 0.7508 -6.4747 3 365.2652381 89502 303631152 631153 a-Alanine, conf. I
151059.5813 0.7508 -6.4747 3 365.2652381 89502 303631252 631053 a-Alanine, conf. I
151059.5813 0.7508 -5.2357 3 365.2652381 89502 303631252 631153 a-Alanine, conf. I
151065.1567 0.5963 -5.6182 3 188.7619255 89502 303421923 412022 a-Alanine, conf. I
151072.8624 0.0055 -4.7670 3 35.9785105 89502 3031713 5 1612 4 a-Alanine, conf. I
151072.8626 0.0055 -5.8727 3 35.9785105 89502 3031713 4 1612 4 a-Alanine, conf. I
151072.8642 0.0055 -5.8727 3 35.9785105 89502 3031713 5 1612 5 a-Alanine, conf. I
151072.8645 0.0055 -4.7670 3 35.9785105 89502 3031713 4 1612 5 a-Alanine, conf. I
151091.1762 1.1594 -5.3395 3 543.9600423 89502 303703535 703436 a-Alanine, conf. I
151091.1790 1.1594 -5.3395 3 543.9600423 89502 303703536 703437 a-Alanine, conf. I
151135.3396 0.0834 -5.2223 3 75.6351165 89502 303271216 261215 a-Alanine, conf. I
151147.9601 4.4859 -5.6478 3 739.3544519 89502 303862561 862462 a-Alanine, conf. I
151151.2550 4.4824 -5.6478 3 739.3544519 89502 303862661 862562 a-Alanine, conf. I
151218.7710 0.1488 -5.2148 3 251.8419261 89502 303433310 433211 a-Alanine, conf. I
151218.7710 0.1488 -6.5662 3 251.8419261 89502 303433310 433212 a-Alanine, conf. I
151218.7710 0.1488 -6.5662 3 251.8419261 89502 303433311 433211 a-Alanine, conf. I
151218.7710 0.1488 -5.2148 3 251.8419261 89502 303433311 433212 a-Alanine, conf. I
151222.0515 1.3212 -5.2837 3 453.5987417 89502 303691554 691455 a-Alanine, conf. I
151222.0515 1.3212 -6.5567 3 453.5987417 89502 303691554 691555 a-Alanine, conf. I
151222.0515 1.3212 -6.5567 3 453.5987417 89502 303691654 691455 a-Alanine, conf. I
151222.0515 1.3212 -5.2837 3 453.5987417 89502 303691654 691555 a-Alanine, conf. I
151232.4499 3.5382 -5.7917 3 840.5210537 89502 303893851 893752 a-Alanine, conf. I
151252.2363 3.5124 -5.7916 3 840.5203537 89502 303893852 893753 a-Alanine, conf. I
151267.1536 0.5966 -5.1986 3 418.4518363 89502 303603426 603327 a-Alanine, conf. I
151267.1536 0.5966 -5.1986 3 418.4518363 89502 303603427 603328 a-Alanine, conf. I
151272.8942 0.6814 -5.8437 3 271.2678297 89502 303492624 482721 a-Alanine, conf. I
151272.8963 0.6814 -5.8437 3 271.2678297 89502 303492623 482722 a-Alanine, conf. I
151282.6760 0.8196 -5.6386 3 207.7724309 89502 30351 249 51 150 a-Alanine, conf. I
151282.6760 0.8196 -5.6386 3 207.7724309 89502 30351 349 51 250 a-Alanine, conf. I
151292.0613 4.7318 -5.9454 3 931.1288567 89502 303943955 943856 a-Alanine, conf. I
151299.0651 7.8758 -5.9589 3 931.2230579 89502 303963066 962967 a-Alanine, conf. I
151305.4715 0.9941 -5.2518 3 408.4374399 89502 303661353 661254 a-Alanine, conf. I
151305.4715 0.9941 -6.5073 3 408.4374399 89502 303661353 661354 a-Alanine, conf. I
151305.4715 0.9941 -6.5073 3 408.4374399 89502 303661453 661254 a-Alanine, conf. I
151305.4715 0.9941 -5.2518 3 408.4374399 89502 303661453 661354 a-Alanine, conf. I
151316.2148 1.3249 -6.0655 3 194.3313261 89502 303431825 431528 a-Alanine, conf. I
151378.2802 4.6069 -5.9449 3 931.1255567 89502 303943956 943857 a-Alanine, conf. I
151383.3882 0.1444 -5.2359 3 244.0133255 89502 3034233 9 423210 a-Alanine, conf. I
151383.3882 0.1444 -6.5842 3 244.0133255 89502 3034233 9 423211 a-Alanine, conf. I
151383.3882 0.1444 -6.5842 3 244.0133255 89502 303423310 423210 a-Alanine, conf. I
151383.3882 0.1444 -5.2359 3 244.0133255 89502 303423310 423211 a-Alanine, conf. I
151389.2296 0.9169 -6.3607 3 457.4188369 89502 303613922 604021 a-Alanine, conf. I
151389.2296 0.9169 -6.3607 3 457.4188369 89502 303613923 604020 a-Alanine, conf. I
151402.6200 7.7313 -5.9583 3 931.2236579 89502 303963166 963067 a-Alanine, conf. I
151416.8677 0.0342 -4.7035 3 77.4856177 89502 30329 623 28 722 a-Alanine, conf. I
151420.1371 0.0343 -5.1479 3 77.4856177 89502 30329 723 28 722 a-Alanine, conf. I
151424.7427 0.0343 -5.1479 3 77.4853177 89502 30329 623 28 622 a-Alanine, conf. I
151425.9986 0.5698 -5.5884 3 178.3469249 89502 303411824 401921 a-Alanine, conf. I
151427.2365 0.2731 -5.6215 3 147.2818231 89502 303381425 371522 a-Alanine, conf. I
151428.0121 0.0343 -4.7034 3 77.4853177 89502 30329 723 28 622 a-Alanine, conf. I
151428.0352 8.2141 -6.2558 3 1107.3173621 89502 303A34162 A34063 a-Alanine, conf. I
151437.4260 2.6984 -6.5106 3 351.0281357 89502 303591841 582138 a-Alanine, conf. I
151445.2045 1.7616 -5.4797 3 644.6439465 89502 303773641 773542 a-Alanine, conf. I
151445.3361 1.7614 -5.4797 3 644.6439465 89502 303773642 773543 a-Alanine, conf. I
151489.5103 5.0193 -5.7038 3 776.0778531 89502 303882662 882563 a-Alanine, conf. I
151496.2848 5.0115 -5.7038 3 776.0779531 89502 303882762 882663 a-Alanine, conf. I
151536.2304 0.1435 -5.2617 3 236.3702249 89502 3034133 8 4132 9 a-Alanine, conf. I
151536.2304 0.1435 -5.2617 3 236.3702249 89502 3034133 9 413210 a-Alanine, conf. I
151547.7259 0.0684 -5.9626 3 41.2140129 89502 30321 615 20 515 a-Alanine, conf. I
151560.6977 12.7025 -6.3633 3 1163.1728645 89502 303A73672 A73573 a-Alanine, conf. I
151595.9909 0.7009 -5.8773 3 284.4153303 89502 303502724 492821 a-Alanine, conf. I
151595.9913 0.7009 -5.8773 3 284.4153303 89502 303502723 492822 a-Alanine, conf. I
151605.9444 0.3335 -5.5368 3 149.2154231 89502 303381524 371621 a-Alanine, conf. I
151613.4982 7.0210 -5.8904 3 891.2065567 89502 303942965 942866 a-Alanine, conf. I
151654.3006 0.0773 -5.2001 3 74.0352165 89502 303271117 261116 a-Alanine, conf. I
151667.0974 6.9495 -5.8901 3 891.2067567 89502 303943065 942966 a-Alanine, conf. I
151677.9087 0.1458 -5.2931 3 228.9123243 89502 3034033 7 4032 8 a-Alanine, conf. I
151677.9087 0.1458 -5.2931 3 228.9123243 89502 3034033 8 4032 9 a-Alanine, conf. I
151689.9684 5.6117 -5.7629 3 813.6301543 89502 303902763 902664 a-Alanine, conf. I
151701.7673 0.5912 -5.2522 3 309.1254357 89502 30359 851 59 752 a-Alanine, conf. I
151701.7673 0.5912 -6.4672 3 309.1254357 89502 30359 851 59 852 a-Alanine, conf. I
151701.7673 0.5912 -6.4672 3 309.1254357 89502 30359 951 59 752 a-Alanine, conf. I
151701.7673 0.5912 -5.2522 3 309.1254357 89502 30359 951 59 852 a-Alanine, conf. I
151703.6782 5.5951 -5.7628 3 813.6301543 89502 303902863 902764 a-Alanine, conf. I
151704.4973 4.9024 -6.5900 3 373.1937369 89502 303611943 602040 a-Alanine, conf. I
151706.8468 0.1048 -5.2189 3 75.6502165 89502 303271215 261214 a-Alanine, conf. I
151709.4647 0.5523 -5.1887 3 407.4404357 89502 303593425 593326 a-Alanine, conf. I
151709.4647 0.5523 -5.1887 3 407.4404357 89502 303593426 593327 a-Alanine, conf. I
151729.6609 0.0071 -4.8158 3 37.3153111 89502 3031812 7 1711 6 a-Alanine, conf. I
151729.7108 0.0071 -5.8804 3 37.3153111 89502 3031812 6 1711 6 a-Alanine, conf. I
151729.9744 0.0071 -5.8804 3 37.3153111 89502 3031812 7 1711 7 a-Alanine, conf. I
151730.0244 0.0071 -4.8158 3 37.3153111 89502 3031812 6 1711 7 a-Alanine, conf. I
151736.6782 6.2738 -5.8251 3 852.0075555 89502 303922864 922765 a-Alanine, conf. I
151749.9234 0.6566 -5.3440 3 256.6101333 89502 30355 550 55 451 a-Alanine, conf. I
151749.9234 0.6566 -6.5370 3 256.6101333 89502 30355 550 55 551 a-Alanine, conf. I
151749.9234 0.6566 -6.5370 3 256.6101333 89502 30355 650 55 451 a-Alanine, conf. I
151749.9234 0.6566 -5.3440 3 256.6101333 89502 30355 650 55 551 a-Alanine, conf. I
151757.7214 0.6137 -5.5863 3 178.3464249 89502 303411823 401922 a-Alanine, conf. I
151763.9955 6.2390 -5.8249 3 852.0076555 89502 303922964 922865 a-Alanine, conf. I
151789.2588 1.0825 -5.3208 3 531.0485417 89502 303693534 693435 a-Alanine, conf. I
151789.2598 1.0825 -5.3208 3 531.0485417 89502 303693535 693436 a-Alanine, conf. I
151793.5813 2.4866 -5.6239 3 739.1241501 89502 303833746 833647 a-Alanine, conf. I
151795.4252 2.4845 -5.6239 3 739.1241501 89502 303833747 833648 a-Alanine, conf. I
151809.0097 0.1507 -5.3316 3 221.6394237 89502 3033933 6 3932 7 a-Alanine, conf. I
151809.0097 0.1507 -5.3316 3 221.6394237 89502 3033933 7 3932 8 a-Alanine, conf. I
151867.2005 0.0110 -4.9660 3 41.1850123 89502 303201011 19 910 a-Alanine, conf. I
151901.9491 2.8511 -5.4651 3 614.8380477 89502 303792158 792059 a-Alanine, conf. I
151902.0208 2.8510 -5.4651 3 614.8380477 89502 303792258 792159 a-Alanine, conf. I
151905.0019 10.4974 -6.4058 3 1191.1567645 89502 303A74265 A74166 a-Alanine, conf. I
151930.0969 0.1579 -5.3793 3 214.5513231 89502 3033833 5 3832 6 a-Alanine, conf. I
151930.0969 0.1579 -5.3793 3 214.5513231 89502 3033833 6 3832 7 a-Alanine, conf. I
151953.7492 13.6040 -6.5654 3 1278.0588669 89502 303B14368 B14269 a-Alanine, conf. I
151953.8955 0.9461 -6.4007 3 474.7751375 89502 303624022 614121 a-Alanine, conf. I
151953.8955 0.9461 -6.4007 3 474.7751375 89502 303624023 614120 a-Alanine, conf. I
151955.7952 0.7212 -5.9113 3 297.9015309 89502 303512824 502921 a-Alanine, conf. I
151955.7953 0.7212 -5.9113 3 297.9015309 89502 303512823 502922 a-Alanine, conf. I
151957.1247 12.8251 -6.2834 3 1118.7152633 89502 303A53471 A53372 a-Alanine, conf. I
151960.2415 0.5417 -5.5602 3 168.2800243 89502 303401724 391821 a-Alanine, conf. I
152018.4851 1.9795 -5.3606 3 531.5239447 89502 303741856 741757 a-Alanine, conf. I
152018.4876 1.9795 -5.3606 3 531.5239447 89502 303741956 741857 a-Alanine, conf. I
152041.7119 0.1668 -5.4394 3 207.6477225 89502 3033733 4 3732 5 a-Alanine, conf. I
152041.7119 0.1668 -5.4394 3 207.6477225 89502 3033733 5 3732 6 a-Alanine, conf. I
152051.2356 0.0102 -5.8866 3 41.1850123 89502 303201010 19 910 a-Alanine, conf. I
152057.7810 7.1254 -6.2522 3 1107.2922621 89502 303A34163 A34064 a-Alanine, conf. I
152066.8785 0.8964 -5.9066 3 194.8632303 89502 30350 149 50 050 a-Alanine, conf. I
152066.8785 0.8964 -5.9066 3 194.8632303 89502 30350 249 50 150 a-Alanine, conf. I
152126.6665 0.5104 -5.1798 3 396.6192351 89502 303583424 583325 a-Alanine, conf. I
152126.6665 0.5104 -6.5816 3 396.6192351 89502 303583424 583326 a-Alanine, conf. I
152126.6665 0.5104 -6.5816 3 396.6192351 89502 303583425 583325 a-Alanine, conf. I
152126.6665 0.5104 -5.1798 3 396.6192351 89502 303583425 583326 a-Alanine, conf. I
152137.7760 0.0722 -4.9263 3 71.0126165 89502 30327 919 26 818 a-Alanine, conf. I
152144.3761 0.1768 -5.5174 3 200.9285219 89502 3033633 3 3632 4 a-Alanine, conf. I
152144.3761 0.1768 -5.5174 3 200.9285219 89502 3033633 4 3632 5 a-Alanine, conf. I
152221.4422 0.5962 -5.7023 3 154.5580237 89502 303391426 381523 a-Alanine, conf. I
152221.6041 0.0089 -4.8767 3 39.0351117 89502 3031911 9 1810 8 a-Alanine, conf. I
152226.0230 0.0089 -5.8846 3 39.0351117 89502 3031911 8 1810 8 a-Alanine, conf. I
152238.5909 0.1877 -5.6236 3 194.3934213 89502 3033533 2 3532 3 a-Alanine, conf. I
152238.5909 0.1877 -5.6236 3 194.3934213 89502 3033533 3 3532 4 a-Alanine, conf. I
152244.0499 0.0090 -5.8845 3 39.0344117 89502 3031911 9 1810 9 a-Alanine, conf. I
152248.4688 0.0090 -4.8766 3 39.0344117 89502 3031911 8 1810 9 a-Alanine, conf. I
152253.2521 1.4892 -6.3904 3 132.3297219 89502 303361323 361026 a-Alanine, conf. I
152266.4236 0.0774 -6.3625 3 125.6134171 89502 3032827 1 2727 0 a-Alanine, conf. I
152266.4236 0.0774 -6.3625 3 125.6134171 89502 3032827 2 2727 1 a-Alanine, conf. I
152270.9988 1.3317 -6.2237 3 160.7897237 89502 303391722 391425 a-Alanine, conf. I
152278.7383 0.4741 -5.5388 3 158.5661237 89502 303391624 381721 a-Alanine, conf. I
152315.4503 0.0333 -6.2072 3 21.6712 99 89502 30316 412 15 313 a-Alanine, conf. I
152324.8396 0.1992 -5.7812 3 188.0422207 89502 3033433 1 3432 2 a-Alanine, conf. I
152324.8396 0.1992 -5.7812 3 188.0422207 89502 3033433 2 3432 3 a-Alanine, conf. I
152331.5745 0.0449 -5.9128 3 42.4918129 89502 30321 814 20 714 a-Alanine, conf. I
152346.6210 0.7423 -5.9458 3 311.7262315 89502 303522923 513022 a-Alanine, conf. I
152346.6210 0.7423 -5.9458 3 311.7262315 89502 303522924 513021 a-Alanine, conf. I
152349.9318 0.0683 -6.0604 3 121.4683171 89502 3032826 2 2726 1 a-Alanine, conf. I
152349.9318 0.0683 -6.0604 3 121.4683171 89502 3032826 3 2726 2 a-Alanine, conf. I
152362.2962 1.6449 -5.4556 3 630.3951459 89502 303763640 763541 a-Alanine, conf. I
152362.3519 1.6449 -5.4556 3 630.3951459 89502 303763641 763542 a-Alanine, conf. I
152390.0398 0.6790 -5.2367 3 349.6089375 89502 303621052 62 953 a-Alanine, conf. I
152390.0398 0.6790 -6.4669 3 349.6089375 89502 303621052 621053 a-Alanine, conf. I
152390.0398 0.6790 -6.4669 3 349.6089375 89502 303621152 62 953 a-Alanine, conf. I
152390.0398 0.6790 -5.2367 3 349.6089375 89502 303621152 621053 a-Alanine, conf. I
152403.5876 0.2110 -6.0637 3 181.8747201 89502 3033333 0 3332 1 a-Alanine, conf. I
152403.5876 0.2110 -6.0637 3 181.8747201 89502 3033333 1 3332 2 a-Alanine, conf. I
152444.3948 0.0600 -5.8836 3 117.4825171 89502 3032825 3 2725 2 a-Alanine, conf. I
152444.3948 0.0600 -5.8836 3 117.4825171 89502 3032825 4 2725 3 a-Alanine, conf. I
152448.9814 1.0106 -5.3030 3 518.3305411 89502 303683533 683434 a-Alanine, conf. I
152448.9818 1.0106 -5.3030 3 518.3305411 89502 303683534 683435 a-Alanine, conf. I
152450.8785 0.0389 -5.0812 3 82.5344195 89502 30332 230 31 229 a-Alanine, conf. I
152450.8785 0.0389 -4.4903 3 82.5344195 89502 30332 230 31 329 a-Alanine, conf. I
152450.8785 0.0389 -4.4903 3 82.5344195 89502 30332 330 31 229 a-Alanine, conf. I
152450.8785 0.0389 -5.0812 3 82.5344195 89502 30332 330 31 329 a-Alanine, conf. I
152477.3948 0.3512 -6.5861 3 91.8962183 89502 303301219 30 922 a-Alanine, conf. I
152493.9311 0.8139 -5.4585 3 118.5085207 89502 303341321 331420 a-Alanine, conf. I
152520.0472 0.4709 -5.1721 3 385.9877345 89502 303573423 573324 a-Alanine, conf. I
152520.0472 0.4709 -6.5695 3 385.9877345 89502 303573423 573325 a-Alanine, conf. I
152520.0472 0.4709 -6.5695 3 385.9877345 89502 303573424 573324 a-Alanine, conf. I
152520.0472 0.4709 -5.1721 3 385.9877345 89502 303573424 573325 a-Alanine, conf. I
152523.5956 0.9764 -6.4412 3 492.4677381 89502 303634122 624221 a-Alanine, conf. I
152523.5956 0.9764 -6.4412 3 492.4677381 89502 303634123 624220 a-Alanine, conf. I
152538.8521 0.0577 -4.8847 3 76.0873171 89502 30328 820 27 919 a-Alanine, conf. I
152551.7238 0.0529 -5.7583 3 113.6564171 89502 3032824 4 2724 3 a-Alanine, conf. I
152551.7238 0.0529 -5.7583 3 113.6564171 89502 3032824 5 2724 4 a-Alanine, conf. I
152581.9210 0.0125 -5.8843 3 41.1611123 89502 303201011 19 911 a-Alanine, conf. I
152648.3816 1.5296 -5.3085 3 483.0858429 89502 303711655 711556 a-Alanine, conf. I
152648.3818 1.5296 -5.3085 3 483.0858429 89502 303711755 711656 a-Alanine, conf. I
152648.5914 5.8440 -6.0738 3 1008.0595591 89502 303984058 983959 a-Alanine, conf. I
152652.5888 3.2720 -5.7585 3 823.9645531 89502 303883850 883751 a-Alanine, conf. I
152662.2338 3.2596 -5.7584 3 823.9641531 89502 303883851 883752 a-Alanine, conf. I
152664.9617 11.6257 -6.2795 3 1118.7197633 89502 303A53571 A53472 a-Alanine, conf. I
152674.2875 0.0472 -5.6615 3 109.9906171 89502 3032823 5 2723 4 a-Alanine, conf. I
152674.2875 0.0472 -5.6615 3 109.9906171 89502 3032823 6 2723 5 a-Alanine, conf. I
152684.6877 0.9645 -6.4204 3 318.7690339 89502 303561838 552135 a-Alanine, conf. I
152688.7330 0.7223 -5.4055 3 242.7680327 89502 30354 450 54 351 a-Alanine, conf. I
152688.7330 0.7223 -5.4055 3 242.7680327 89502 30354 550 54 451 a-Alanine, conf. I
152741.2822 0.0348 -4.6281 3 80.3214183 89502 30330 525 29 624 a-Alanine, conf. I
152741.3524 0.0348 -5.1245 3 80.3214183 89502 30330 625 29 624 a-Alanine, conf. I
152741.4641 0.0348 -5.1245 3 80.3214183 89502 30330 525 29 524 a-Alanine, conf. I
152741.5343 0.0348 -4.6281 3 80.3214183 89502 30330 625 29 524 a-Alanine, conf. I
152753.7335 3.2145 -5.5094 3 648.6206489 89502 303812259 812160 a-Alanine, conf. I
152753.8940 3.2143 -5.5094 3 648.6206489 89502 303812359 812260 a-Alanine, conf. I
152763.8631 0.7642 -5.9808 3 325.8890321 89502 303533023 523122 a-Alanine, conf. I
152763.8631 0.7642 -5.9808 3 325.8890321 89502 303533024 523121 a-Alanine, conf. I
152765.9561 0.0150 -4.9626 3 41.1611123 89502 303201010 19 911 a-Alanine, conf. I
152796.4769 0.8739 -5.2441 3 392.1088393 89502 303651253 651154 a-Alanine, conf. I
152796.4769 0.8739 -6.4902 3 392.1088393 89502 303651253 651254 a-Alanine, conf. I
152796.4769 0.8739 -6.4902 3 392.1088393 89502 303651353 651154 a-Alanine, conf. I
152796.4769 0.8739 -5.2441 3 392.1088393 89502 303651353 651254 a-Alanine, conf. I
152815.0573 0.0432 -5.5828 3 106.4855171 89502 3032822 6 2722 5 a-Alanine, conf. I
152815.0573 0.0432 -5.5828 3 106.4855171 89502 3032822 7 2722 6 a-Alanine, conf. I
152820.2385 0.6062 -5.2724 3 294.3671351 89502 30358 751 58 652 a-Alanine, conf. I
152820.2385 0.6062 -6.4795 3 294.3671351 89502 30358 751 58 752 a-Alanine, conf. I
152820.2385 0.6062 -6.4795 3 294.3671351 89502 30358 851 58 652 a-Alanine, conf. I
152820.2385 0.6062 -5.2724 3 294.3671351 89502 30358 851 58 752 a-Alanine, conf. I
152825.8391 5.5624 -6.0727 3 1008.0526591 89502 303984059 983960 a-Alanine, conf. I
152869.5315 0.2631 -6.5011 3 99.3914189 89502 303311319 311022 a-Alanine, conf. I
152890.8121 0.4335 -5.1656 3 375.5456339 89502 303563422 563323 a-Alanine, conf. I
152890.8121 0.4335 -6.5588 3 375.5456339 89502 303563422 563324 a-Alanine, conf. I
152890.8121 0.4335 -6.5588 3 375.5456339 89502 303563423 563323 a-Alanine, conf. I
152890.8121 0.4335 -5.1656 3 375.5456339 89502 303563423 563324 a-Alanine, conf. I
152893.7417 1.1610 -5.2691 3 436.6073411 89502 303681454 681355 a-Alanine, conf. I
152893.7417 1.1610 -6.5320 3 436.6073411 89502 303681454 681455 a-Alanine, conf. I
152893.7417 1.1610 -6.5320 3 436.6073411 89502 303681554 681355 a-Alanine, conf. I
152893.7417 1.1610 -5.2691 3 436.6073411 89502 303681554 681455 a-Alanine, conf. I
152930.2025 2.3159 -5.5954 3 723.7254495 89502 303823745 823646 a-Alanine, conf. I
152931.0420 2.3149 -5.5954 3 723.7254495 89502 303823746 823647 a-Alanine, conf. I
152972.4670 0.0481 -5.9557 3 41.2294129 89502 30321 715 20 615 a-Alanine, conf. I
152977.8132 0.0414 -5.5168 3 103.1421171 89502 3032821 7 2721 6 a-Alanine, conf. I
152977.8132 0.0414 -5.5168 3 103.1421171 89502 3032821 8 2721 7 a-Alanine, conf. I
152978.0455 4.3322 -5.9083 3 913.6097561 89502 303933954 933855 a-Alanine, conf. I
153022.1199 4.2688 -5.9081 3 913.6080561 89502 303933955 933856 a-Alanine, conf. I
153045.8612 2.1992 -6.4641 3 340.0998351 89502 303581840 572137 a-Alanine, conf. I
153048.5607 8.3630 -6.3993 3 1191.1106645 89502 303A74266 A74167 a-Alanine, conf. I
153072.6221 0.9431 -5.2861 3 505.8056405 89502 303673532 673433 a-Alanine, conf. I
153072.6222 0.9431 -5.2861 3 505.8056405 89502 303673533 673434 a-Alanine, conf. I
153096.0224 0.6700 -5.5528 3 168.2779243 89502 303401723 391822 a-Alanine, conf. I
153097.7108 1.0080 -6.4823 3 510.4966387 89502 303644222 634321 a-Alanine, conf. I
153097.7108 1.0080 -6.4823 3 510.4966387 89502 303644223 634320 a-Alanine, conf. I
153104.2603 15.1053 -6.5596 3 1275.1606675 89502 303B23875 B23776 a-Alanine, conf. I
153128.7970 16.5717 -6.4771 3 1228.7076663 89502 303B03674 B03575 a-Alanine, conf. I
153145.0987 0.0179 -5.8374 3 48.0153135 89502 30322 913 21 813 a-Alanine, conf. I
153167.4447 0.0418 -5.4600 3 99.9613171 89502 3032820 8 2720 7 a-Alanine, conf. I
153167.4447 0.0418 -5.4600 3 99.9613171 89502 3032820 9 2720 8 a-Alanine, conf. I
153180.1308 2.2570 -5.3957 3 563.1707459 89502 303761957 761858 a-Alanine, conf. I
153180.1367 2.2570 -5.3957 3 563.1707459 89502 303762057 761958 a-Alanine, conf. I
153203.7472 0.7867 -6.0162 3 340.3897327 89502 303543123 533222 a-Alanine, conf. I
153203.7472 0.7867 -6.0162 3 340.3897327 89502 303543124 533221 a-Alanine, conf. I
153204.0517 11.1925 -6.2008 3 1075.0604621 89502 303A33370 A33271 a-Alanine, conf. I
153228.2006 1.5372 -5.4324 3 616.3424453 89502 303753639 753540 a-Alanine, conf. I
153228.2237 1.5372 -5.4324 3 616.3424453 89502 303753640 753541 a-Alanine, conf. I
153240.0920 0.3983 -5.1603 3 365.2925333 89502 303553421 553322 a-Alanine, conf. I
153240.0920 0.3983 -6.5494 3 365.2925333 89502 303553421 553323 a-Alanine, conf. I
153240.0920 0.3983 -6.5494 3 365.2925333 89502 303553422 553322 a-Alanine, conf. I
153240.0920 0.3983 -5.1603 3 365.2925333 89502 303553422 553323 a-Alanine, conf. I
153259.7331 0.0271 -6.2045 3 21.6709 99 89502 30316 512 15 213 a-Alanine, conf. I
153390.4026 0.0444 -5.4105 3 96.9445171 89502 3032819 9 2719 8 a-Alanine, conf. I
153390.4026 0.0444 -5.4105 3 96.9445171 89502 303281910 2719 9 a-Alanine, conf. I
153450.6988 0.0368 -5.1597 3 76.0873171 89502 30328 920 27 919 a-Alanine, conf. I
153500.4164 3.6133 -5.5568 3 683.2447501 89502 303832360 832261 a-Alanine, conf. I
153500.7693 3.6129 -5.5568 3 683.2447501 89502 303832460 832361 a-Alanine, conf. I
153568.9502 0.3651 -5.1563 3 355.2281327 89502 303543420 543321 a-Alanine, conf. I
153568.9502 0.3651 -6.5414 3 355.2281327 89502 303543420 543322 a-Alanine, conf. I
153568.9502 0.3651 -6.5414 3 355.2281327 89502 303543421 543321 a-Alanine, conf. I
153568.9502 0.3651 -5.1563 3 355.2281327 89502 303543421 543322 a-Alanine, conf. I
153574.4162 0.7957 -5.4957 3 229.1504321 89502 30353 350 53 251 a-Alanine, conf. I
153574.4162 0.7957 -5.4957 3 229.1504321 89502 30353 450 53 351 a-Alanine, conf. I
153587.6146 10.5622 -6.1986 3 1075.0627621 89502 303A33470 A33371 a-Alanine, conf. I
153593.6350 1.6005 -6.4316 3 329.3439345 89502 303571839 562136 a-Alanine, conf. I
153643.8558 0.6372 -5.2427 3 334.1651369 89502 30361 952 61 853 a-Alanine, conf. I
153643.8558 0.6372 -6.4646 3 334.1651369 89502 30361 952 61 953 a-Alanine, conf. I
153643.8558 0.6372 -6.4646 3 334.1651369 89502 303611052 61 853 a-Alanine, conf. I
153643.8558 0.6372 -5.2427 3 334.1651369 89502 303611052 61 953 a-Alanine, conf. I
153655.4092 0.0488 -5.3666 3 94.0932171 89502 303281811 271810 a-Alanine, conf. I
153655.4094 0.0488 -5.3666 3 94.0932171 89502 303281810 2718 9 a-Alanine, conf. I
153662.2615 0.8798 -5.2701 3 493.4732399 89502 303663531 663432 a-Alanine, conf. I
153662.2615 0.8798 -5.2701 3 493.4732399 89502 303663532 663433 a-Alanine, conf. I
153663.1474 0.8100 -6.0522 3 355.2281333 89502 303553223 543322 a-Alanine, conf. I
153663.1474 0.8100 -6.0522 3 355.2281333 89502 303553224 543321 a-Alanine, conf. I
153675.6906 1.0409 -6.5240 3 528.8617393 89502 303654322 644421 a-Alanine, conf. I
153675.6906 1.0409 -6.5240 3 528.8617393 89502 303654323 644420 a-Alanine, conf. I
153754.1024 7.2625 -6.2110 3 1088.0655615 89502 303A24161 A24062 a-Alanine, conf. I
153826.9598 0.7467 -5.9577 3 230.9652285 89502 303471928 471631 a-Alanine, conf. I
153875.4401 0.6456 -5.3022 3 279.8276345 89502 30357 651 57 552 a-Alanine, conf. I
153875.4401 0.6456 -6.5017 3 279.8276345 89502 30357 651 57 652 a-Alanine, conf. I
153875.4401 0.6456 -6.5017 3 279.8276345 89502 30357 751 57 552 a-Alanine, conf. I
153875.4401 0.6456 -5.3022 3 279.8276345 89502 30357 751 57 652 a-Alanine, conf. I
153876.9883 0.0528 -5.0566 3 84.5413201 89502 30333 132 32 131 a-Alanine, conf. I
153876.9883 0.0528 -4.4435 3 84.5413201 89502 30333 132 32 231 a-Alanine, conf. I
153876.9883 0.0528 -4.4435 3 84.5413201 89502 30333 232 32 131 a-Alanine, conf. I
153876.9883 0.0528 -5.0566 3 84.5413201 89502 30333 232 32 231 a-Alanine, conf. I
153878.3890 0.3339 -5.1536 3 345.3521321 89502 303533419 533320 a-Alanine, conf. I
153878.3890 0.3339 -6.5349 3 345.3521321 89502 303533419 533321 a-Alanine, conf. I
153878.3890 0.3339 -6.5349 3 345.3521321 89502 303533420 533320 a-Alanine, conf. I
153878.3890 0.3339 -5.1536 3 345.3521321 89502 303533420 533321 a-Alanine, conf. I
153920.1178 0.1173 -5.3512 3 38.8129123 89502 30320 812 19 713 a-Alanine, conf. I
153920.2213 0.5721 -5.9309 3 240.1029291 89502 303481929 481632 a-Alanine, conf. I
153936.3905 9.6384 -6.5542 3 1277.9781669 89502 303B14369 B14270 a-Alanine, conf. I
153946.2273 0.1261 -6.4761 3 103.2214195 89502 303321121 311219 a-Alanine, conf. I
153966.7583 0.0292 -5.8781 3 43.6690129 89502 30321 913 20 813 a-Alanine, conf. I
153968.5871 0.1249 -5.5978 3 34.2029117 89502 30319 712 18 613 a-Alanine, conf. I
153974.6274 0.0546 -5.3274 3 91.4098171 89502 303281712 271711 a-Alanine, conf. I
153974.6321 0.0546 -5.3274 3 91.4098171 89502 303281711 271710 a-Alanine, conf. I
153982.2250 3.0362 -5.7264 3 807.6097525 89502 303873849 873750 a-Alanine, conf. I
153986.8400 3.0303 -5.7264 3 807.6095525 89502 303873850 873751 a-Alanine, conf. I
153995.9892 1.7607 -5.3373 3 513.4302441 89502 303731756 731657 a-Alanine, conf. I
153995.9897 1.7607 -5.3373 3 513.4302441 89502 303731856 731757 a-Alanine, conf. I
154000.7948 2.1604 -5.5678 3 708.5254489 89502 303813744 813645 a-Alanine, conf. I
154001.1698 2.1600 -5.5678 3 708.5253489 89502 303813745 813646 a-Alanine, conf. I
154025.7777 1.2252 -6.5025 3 117.3265207 89502 303341222 34 925 a-Alanine, conf. I
154046.4191 1.4374 -5.4101 3 602.4852447 89502 303743638 743539 a-Alanine, conf. I
154046.4285 1.4373 -5.4101 3 602.4852447 89502 303743639 743540 a-Alanine, conf. I
154100.9736 6.6613 -6.2091 3 1088.0518615 89502 303A24162 A24063 a-Alanine, conf. I
154115.1508 9.8775 -6.1220 3 1032.2055609 89502 303A13269 A13170 a-Alanine, conf. I
154127.4840 0.0349 -4.5648 3 82.9488189 89502 30331 427 30 526 a-Alanine, conf. I
154127.4850 0.0349 -5.1006 3 82.9488189 89502 30331 527 30 526 a-Alanine, conf. I
154127.4868 0.0349 -5.1006 3 82.9488189 89502 30331 427 30 426 a-Alanine, conf. I
154127.4878 0.0349 -4.5648 3 82.9488189 89502 30331 527 30 426 a-Alanine, conf. I
154136.3258 4.0511 -5.6074 3 718.7074513 89502 303852461 852362 a-Alanine, conf. I
154137.0878 4.0503 -5.6074 3 718.7074513 89502 303852561 852462 a-Alanine, conf. I
154139.4505 0.8340 -6.0887 3 370.4041339 89502 303563323 553422 a-Alanine, conf. I
154139.4505 0.8340 -6.0887 3 370.4041339 89502 303563324 553421 a-Alanine, conf. I
154169.3551 0.3048 -5.1524 3 335.6641315 89502 303523418 523319 a-Alanine, conf. I
154169.3551 0.3048 -6.5299 3 335.6641315 89502 303523418 523320 a-Alanine, conf. I
154169.3551 0.3048 -6.5299 3 335.6641315 89502 303523419 523319 a-Alanine, conf. I
154169.3551 0.3048 -5.1524 3 335.6641315 89502 303523419 523320 a-Alanine, conf. I
154200.2418 0.7773 -5.2402 3 375.9880387 89502 303641153 641054 a-Alanine, conf. I
154200.2418 0.7773 -6.4775 3 375.9880387 89502 303641153 641154 a-Alanine, conf. I
154200.2418 0.7773 -6.4775 3 375.9880387 89502 303641253 641054 a-Alanine, conf. I
154200.2418 0.7773 -5.2402 3 375.9880387 89502 303641253 641154 a-Alanine, conf. I
154219.8081 0.8202 -5.2550 3 481.3330393 89502 303653530 653431 a-Alanine, conf. I
154219.8081 0.8202 -5.2550 3 481.3330393 89502 303653531 653432 a-Alanine, conf. I
154252.3885 2.5616 -5.4343 3 595.6673471 89502 303782058 781959 a-Alanine, conf. I
154252.4026 2.5616 -5.4343 3 595.6673471 89502 303782158 782059 a-Alanine, conf. I
154257.0437 1.0752 -6.5663 3 547.5628399 89502 303664422 654521 a-Alanine, conf. I
154257.0437 1.0752 -6.5663 3 547.5628399 89502 303664423 654520 a-Alanine, conf. I
154290.3679 1.0245 -6.4056 3 130.3999213 89502 303351619 351322 a-Alanine, conf. I
154319.5002 9.5533 -6.1208 3 1032.2066609 89502 303A13369 A13270 a-Alanine, conf. I
154322.3867 0.0357 -5.1539 3 76.0279171 89502 30328 820 27 819 a-Alanine, conf. I
154323.4263 0.0418 -6.0119 3 39.8170129 89502 30321 516 20 416 a-Alanine, conf. I
154365.6920 0.0617 -5.2919 3 88.8974171 89502 303281613 271612 a-Alanine, conf. I
154365.7834 0.0617 -5.2919 3 88.8974171 89502 303281612 271611 a-Alanine, conf. I
154409.0659 1.3496 -5.2907 3 465.6393423 89502 303701555 701456 a-Alanine, conf. I
154409.0659 1.3496 -6.5612 3 465.6393423 89502 303701555 701556 a-Alanine, conf. I
154409.0659 1.3496 -6.5612 3 465.6393423 89502 303701655 701456 a-Alanine, conf. I
154409.0659 1.3496 -5.2907 3 465.6393423 89502 303701655 701556 a-Alanine, conf. I
154410.1628 0.8734 -5.6376 3 215.7591315 89502 30352 250 52 151 a-Alanine, conf. I
154410.1628 0.8734 -5.6376 3 215.7591315 89502 30352 350 52 251 a-Alanine, conf. I
154442.7445 0.2777 -5.1528 3 326.1639309 89502 303513417 513318 a-Alanine, conf. I
154442.7445 0.2777 -6.5266 3 326.1639309 89502 303513417 513319 a-Alanine, conf. I
154442.7445 0.2777 -6.5266 3 326.1639309 89502 303513418 513318 a-Alanine, conf. I
154442.7445 0.2777 -5.1528 3 326.1639309 89502 303513418 513319 a-Alanine, conf. I
154463.9363 0.1502 -5.1819 3 74.1419165 89502 303271116 261115 a-Alanine, conf. I
154465.0907 1.0198 -5.2576 3 419.8188405 89502 303671354 671255 a-Alanine, conf. I
154465.0907 1.0198 -6.5110 3 419.8188405 89502 303671354 671355 a-Alanine, conf. I
154465.0907 1.0198 -6.5110 3 419.8188405 89502 303671454 671255 a-Alanine, conf. I
154465.0907 1.0198 -5.2576 3 419.8188405 89502 303671454 671355 a-Alanine, conf. I
154484.4589 14.0218 -6.4696 3 1228.7171663 89502 303B03774 B03675 a-Alanine, conf. I
154498.2764 0.0390 -6.0110 3 39.8182129 89502 30321 616 20 516 a-Alanine, conf. I
154522.1837 5.3079 -6.0339 3 989.7804585 89502 303974057 973958 a-Alanine, conf. I
154543.1367 3.9912 -5.8725 3 896.2952555 89502 303923953 923854 a-Alanine, conf. I
154565.2505 3.9596 -5.8724 3 896.2944555 89502 303923954 923855 a-Alanine, conf. I
154572.6174 9.1100 -6.3573 3 1171.1393639 89502 303A64264 A64165 a-Alanine, conf. I
154615.3423 5.1604 -6.0333 3 989.7768585 89502 303974058 973959 a-Alanine, conf. I
154630.4530 0.8588 -6.1257 3 385.9173345 89502 303573423 563522 a-Alanine, conf. I
154630.4530 0.8588 -6.1257 3 385.9173345 89502 303573424 563521 a-Alanine, conf. I
154643.8980 0.0363 -4.7507 3 79.4325177 89502 30329 722 28 821 a-Alanine, conf. I
154654.9675 4.5323 -5.6610 3 755.0058525 89502 303872562 872463 a-Alanine, conf. I
154656.5858 4.5305 -5.6610 3 755.0058525 89502 303872662 872563 a-Alanine, conf. I
154688.2343 0.0362 -5.1388 3 79.4325177 89502 30329 822 28 821 a-Alanine, conf. I
154699.4073 0.2529 -5.1549 3 316.8510303 89502 303503416 503317 a-Alanine, conf. I
154699.4073 0.2529 -6.5251 3 316.8510303 89502 303503416 503318 a-Alanine, conf. I
154699.4073 0.2529 -6.5251 3 316.8510303 89502 303503417 503317 a-Alanine, conf. I
154699.4073 0.2529 -5.1549 3 316.8510303 89502 303503417 503318 a-Alanine, conf. I
154743.1176 0.0363 -5.1385 3 79.4292177 89502 30329 722 28 721 a-Alanine, conf. I
154747.0187 0.7640 -5.2409 3 469.3843387 89502 303643529 643430 a-Alanine, conf. I
154747.0187 0.7640 -5.2409 3 469.3843387 89502 303643530 643431 a-Alanine, conf. I
154754.9619 8.7818 -6.0467 3 990.1556597 89502 303993168 993069 a-Alanine, conf. I
154787.4539 0.0365 -4.7498 3 79.4292177 89502 30329 822 28 721 a-Alanine, conf. I
154820.0812 1.3445 -5.3886 3 588.8230441 89502 303733637 733538 a-Alanine, conf. I
154820.0849 1.3445 -5.3886 3 588.8230441 89502 303733638 733539 a-Alanine, conf. I
154826.6008 0.6272 -5.2549 3 318.9360363 89502 30360 852 60 753 a-Alanine, conf. I
154826.6008 0.6272 -6.4687 3 318.9360363 89502 30360 852 60 853 a-Alanine, conf. I
154826.6008 0.6272 -6.4687 3 318.9360363 89502 30360 952 60 753 a-Alanine, conf. I
154826.6008 0.6272 -5.2549 3 318.9360363 89502 30360 952 60 853 a-Alanine, conf. I
154855.1910 0.0701 -5.2595 3 86.5604171 89502 303281514 271513 a-Alanine, conf. I
154856.6253 0.0702 -5.2595 3 86.5604171 89502 303281513 271512 a-Alanine, conf. I
154862.1041 8.6183 -6.0461 3 990.1562597 89502 303993268 993169 a-Alanine, conf. I
154871.5066 0.7028 -5.3449 3 265.5088339 89502 30356 551 56 452 a-Alanine, conf. I
154871.5066 0.7028 -6.5371 3 265.5088339 89502 30356 551 56 552 a-Alanine, conf. I
154871.5066 0.7028 -6.5371 3 265.5088339 89502 30356 651 56 452 a-Alanine, conf. I
154871.5066 0.7028 -5.3449 3 265.5088339 89502 30356 651 56 552 a-Alanine, conf. I
154940.1508 0.2303 -5.1589 3 307.7254297 89502 303493415 493316 a-Alanine, conf. I
154940.1508 0.2303 -6.5255 3 307.7254297 89502 303493415 493317 a-Alanine, conf. I
154940.1508 0.2303 -6.5255 3 307.7254297 89502 303493416 493316 a-Alanine, conf. I
154940.1508 0.2303 -5.1589 3 307.7254297 89502 303493416 493317 a-Alanine, conf. I
154962.1647 14.2303 -6.3865 3 1183.0553651 89502 303A83573 A83474 a-Alanine, conf. I
155010.6408 2.0180 -5.5411 3 693.5231483 89502 303803743 803644 a-Alanine, conf. I
155010.8051 2.0178 -5.5411 3 693.5231483 89502 303803744 803645 a-Alanine, conf. I
155040.5429 0.0633 -5.9947 3 25.6365105 89502 30317 512 16 413 a-Alanine, conf. I
155048.8166 5.0623 -5.7177 3 792.1365537 89502 303892663 892564 a-Alanine, conf. I
155051.9365 0.0077 -5.8166 3 37.1139 99 89502 3031615 1 1514 1 a-Alanine, conf. I
155051.9365 0.0077 -4.6657 3 37.1139 99 89502 3031615 1 1514 2 a-Alanine, conf. I
155051.9365 0.0077 -4.6657 3 37.1139 99 89502 3031615 2 1514 1 a-Alanine, conf. I
155051.9365 0.0077 -5.8166 3 37.1139 99 89502 3031615 2 1514 2 a-Alanine, conf. I
155052.1981 5.0582 -5.7177 3 792.1365537 89502 303892763 892664 a-Alanine, conf. I
155054.8903 11.5640 -6.5128 3 1257.2731663 89502 303B04367 B04268 a-Alanine, conf. I
155134.2832 0.8843 -6.1633 3 401.7677351 89502 303583523 573622 a-Alanine, conf. I
155134.2832 0.8843 -6.1633 3 401.7677351 89502 303583524 573621 a-Alanine, conf. I
155165.7437 0.2103 -5.1649 3 298.7865291 89502 303483414 483315 a-Alanine, conf. I
155165.7437 0.2103 -6.5281 3 298.7865291 89502 303483414 483316 a-Alanine, conf. I
155165.7437 0.2103 -6.5281 3 298.7865291 89502 303483415 483315 a-Alanine, conf. I
155165.7437 0.2103 -5.1649 3 298.7865291 89502 303483415 483316 a-Alanine, conf. I
155167.4317 7.8437 -5.9747 3 948.9156585 89502 303973067 972968 a-Alanine, conf. I
155196.9897 0.4832 -6.5238 3 110.6817201 89502 303331221 321319 a-Alanine, conf. I
155198.8805 0.9533 -5.9051 3 202.5955309 89502 30351 150 51 051 a-Alanine, conf. I
155198.8805 0.9533 -5.9051 3 202.5955309 89502 30351 250 51 151 a-Alanine, conf. I
155219.8863 0.1011 -5.8116 3 29.8141111 89502 30318 612 17 513 a-Alanine, conf. I
155219.9783 7.8932 -6.3537 3 1171.1135639 89502 303A64265 A64166 a-Alanine, conf. I
155222.7486 7.7627 -5.9744 3 948.9159585 89502 303973167 973068 a-Alanine, conf. I
155230.7856 2.8248 -5.6953 3 791.4556519 89502 303863848 863749 a-Alanine, conf. I
155231.5589 2.8957 -5.4761 3 629.0111483 89502 303802159 802060 a-Alanine, conf. I
155231.5917 2.8956 -5.4761 3 629.0111483 89502 303802259 802160 a-Alanine, conf. I
155232.9534 2.8221 -5.6953 3 791.4555519 89502 303863849 863750 a-Alanine, conf. I
155234.2335 0.0539 -4.8664 3 76.0279171 89502 30328 920 27 819 a-Alanine, conf. I
155241.7427 1.4435 -6.4696 3 332.0221345 89502 303571938 562235 a-Alanine, conf. I
155245.5164 0.7109 -5.2277 3 457.6268381 89502 303633528 633429 a-Alanine, conf. I
155245.5164 0.7109 -5.2277 3 457.6268381 89502 303633529 633430 a-Alanine, conf. I
155262.2882 2.0159 -5.3698 3 544.6295453 89502 303751857 751758 a-Alanine, conf. I
155262.2892 2.0159 -5.3698 3 544.6295453 89502 303751957 751858 a-Alanine, conf. I
155297.4941 0.0757 -5.0324 3 86.3651207 89502 30334 034 33 033 a-Alanine, conf. I
155297.4941 0.0757 -4.4005 3 86.3651207 89502 30334 034 33 133 a-Alanine, conf. I
155297.4941 0.0757 -4.4005 3 86.3651207 89502 30334 134 33 033 a-Alanine, conf. I
155297.4941 0.0757 -5.0324 3 86.3651207 89502 30334 134 33 133 a-Alanine, conf. I
155309.0124 5.6479 -5.7774 3 830.0964549 89502 303912764 912665 a-Alanine, conf. I
155315.9690 5.6391 -5.7773 3 830.0964549 89502 303912864 912765 a-Alanine, conf. I
155376.9185 0.1931 -5.1731 3 290.0343285 89502 303473413 473314 a-Alanine, conf. I
155376.9185 0.1931 -6.5330 3 290.0343285 89502 303473413 473315 a-Alanine, conf. I
155376.9185 0.1931 -6.5330 3 290.0343285 89502 303473414 473314 a-Alanine, conf. I
155376.9185 0.1931 -5.1731 3 290.0343285 89502 303473414 473315 a-Alanine, conf. I
155383.3108 7.0241 -5.9058 3 908.4897573 89502 303952966 952867 a-Alanine, conf. I
155396.2896 0.1066 -5.8882 3 46.2691135 89502 30322 715 21 615 a-Alanine, conf. I
155408.3779 0.1502 -6.5638 3 95.3739183 89502 303301417 301120 a-Alanine, conf. I
155411.4433 6.9847 -5.9057 3 908.4898573 89502 303953066 952967 a-Alanine, conf. I
155424.8992 6.2978 -5.8401 3 868.8820561 89502 303932865 932766 a-Alanine, conf. I
155438.9941 6.2790 -5.8400 3 868.8821561 89502 303932965 932866 a-Alanine, conf. I
155472.2143 0.5543 -5.2750 3 96.9823189 89502 303311120 301219 a-Alanine, conf. I
155481.7400 0.0800 -5.2296 3 84.4052171 89502 303281415 271414 a-Alanine, conf. I
155499.5470 0.0810 -5.2295 3 84.4056171 89502 303281414 271413 a-Alanine, conf. I
155523.5948 0.7084 -5.2408 3 360.0775381 89502 303631053 63 954 a-Alanine, conf. I
155523.5948 0.7084 -6.4695 3 360.0775381 89502 303631053 631054 a-Alanine, conf. I
155523.5948 0.7084 -6.4695 3 360.0775381 89502 303631153 63 954 a-Alanine, conf. I
155523.5948 0.7084 -5.2408 3 360.0775381 89502 303631153 631054 a-Alanine, conf. I
155541.9897 0.0364 -5.0766 3 85.3792195 89502 30332 329 31 328 a-Alanine, conf. I
155541.9897 0.0364 -4.5096 3 85.3792195 89502 30332 329 31 428 a-Alanine, conf. I
155541.9897 0.0364 -4.5096 3 85.3792195 89502 30332 429 31 328 a-Alanine, conf. I
155541.9897 0.0364 -5.0766 3 85.3792195 89502 30332 429 31 428 a-Alanine, conf. I
155552.0022 1.2579 -5.3681 3 575.3550435 89502 303723636 723537 a-Alanine, conf. I
155552.0037 1.2579 -5.3681 3 575.3550435 89502 303723637 723538 a-Alanine, conf. I
155574.3749 0.1790 -5.1839 3 281.4684279 89502 303463412 463313 a-Alanine, conf. I
155574.3749 0.1790 -6.5405 3 281.4684279 89502 303463412 463314 a-Alanine, conf. I
155574.3749 0.1790 -6.5405 3 281.4684279 89502 303463413 463313 a-Alanine, conf. I
155574.3749 0.1790 -5.1839 3 281.4684279 89502 303463413 463314 a-Alanine, conf. I
155594.6820 0.0395 -5.1497 3 72.1161165 89502 30327 918 26 917 a-Alanine, conf. I
155649.3395 0.9105 -6.2014 3 417.9552357 89502 303593623 583722 a-Alanine, conf. I
155649.3395 0.9105 -6.2014 3 417.9552357 89502 303593624 583721 a-Alanine, conf. I
155708.0758 12.8589 -6.3824 3 1183.0602651 89502 303A83673 A83574 a-Alanine, conf. I
155716.8054 0.6608 -5.2155 3 446.0601375 89502 303623527 623428 a-Alanine, conf. I
155716.8054 0.6608 -5.2155 3 446.0601375 89502 303623528 623429 a-Alanine, conf. I
155745.7963 0.1290 -6.5051 3 101.1453189 89502 303311418 311121 a-Alanine, conf. I
155758.7816 0.1683 -5.1976 3 273.0885273 89502 303453411 453312 a-Alanine, conf. I
155758.7816 0.1683 -6.5510 3 273.0885273 89502 303453411 453313 a-Alanine, conf. I
155758.7816 0.1683 -6.5510 3 273.0885273 89502 303453412 453312 a-Alanine, conf. I
155758.7816 0.1683 -5.1976 3 273.0885273 89502 303453412 453313 a-Alanine, conf. I
155783.5300 0.0058 -5.8290 3 37.9192105 89502 3031714 3 1613 3 a-Alanine, conf. I
155783.5300 0.0058 -4.7047 3 37.9192105 89502 3031714 4 1613 3 a-Alanine, conf. I
155783.5301 0.0058 -4.7047 3 37.9192105 89502 3031714 3 1613 4 a-Alanine, conf. I
155783.5301 0.0058 -5.8290 3 37.9192105 89502 3031714 4 1613 4 a-Alanine, conf. I
155785.5626 0.8010 -5.5142 3 158.5585237 89502 303391623 381722 a-Alanine, conf. I
155812.1562 0.7720 -5.4060 3 251.4127333 89502 30355 451 55 352 a-Alanine, conf. I
155812.1562 0.7720 -5.4060 3 251.4127333 89502 30355 551 55 452 a-Alanine, conf. I
155849.1826 6.5233 -6.1682 3 1069.0259609 89502 303A14160 A14061 a-Alanine, conf. I
155849.3872 1.5606 -5.3165 3 495.5309435 89502 303721656 721557 a-Alanine, conf. I
155849.3872 1.5606 -5.3165 3 495.5309435 89502 303721756 721657 a-Alanine, conf. I
155912.9218 0.0291 -6.0853 3 38.2530129 89502 30321 417 20 317 a-Alanine, conf. I
155914.5867 0.0374 -4.6623 3 82.5364183 89502 30330 624 29 723 a-Alanine, conf. I
155915.9229 0.0375 -5.1172 3 82.5364183 89502 30330 724 29 723 a-Alanine, conf. I
155917.8561 0.0375 -5.1172 3 82.5363183 89502 30330 624 29 623 a-Alanine, conf. I
155919.1923 0.0375 -4.6623 3 82.5363183 89502 30330 724 29 623 a-Alanine, conf. I
155926.4972 0.0289 -6.0852 3 38.2530129 89502 30321 517 20 417 a-Alanine, conf. I
155930.7789 0.1611 -5.2145 3 264.8945267 89502 303443410 443311 a-Alanine, conf. I
155930.7789 0.1611 -6.5648 3 264.8945267 89502 303443410 443312 a-Alanine, conf. I
155930.7789 0.1611 -6.5648 3 264.8945267 89502 303443411 443311 a-Alanine, conf. I
155930.7789 0.1611 -5.2145 3 264.8945267 89502 303443411 443312 a-Alanine, conf. I
155943.2053 0.6467 -5.2747 3 303.9237357 89502 30359 752 59 653 a-Alanine, conf. I
155943.2053 0.6467 -6.4808 3 303.9237357 89502 30359 752 59 753 a-Alanine, conf. I
155943.2053 0.6467 -6.4808 3 303.9237357 89502 30359 852 59 653 a-Alanine, conf. I
155943.2053 0.6467 -5.2747 3 303.9237357 89502 30359 852 59 753 a-Alanine, conf. I
155944.6350 0.9001 -5.2495 3 403.2356399 89502 303661254 661155 a-Alanine, conf. I
155944.6350 0.9001 -6.4939 3 403.2356399 89502 303661254 661255 a-Alanine, conf. I
155944.6350 0.9001 -6.4939 3 403.2356399 89502 303661354 661155 a-Alanine, conf. I
155944.6350 0.9001 -5.2495 3 403.2356399 89502 303661354 661255 a-Alanine, conf. I
155964.3181 1.8870 -5.5153 3 678.7178477 89502 303793742 793643 a-Alanine, conf. I
155964.3888 1.8870 -5.5153 3 678.7178477 89502 303793743 793644 a-Alanine, conf. I
155978.9469 1.9468 -5.9741 3 195.7179267 89502 303441530 431627 a-Alanine, conf. I
156003.8940 3.6938 -5.8378 3 879.1839549 89502 303913952 913853 a-Alanine, conf. I
156014.7880 3.6784 -5.8378 3 879.1835549 89502 303913953 913854 a-Alanine, conf. I
156036.4905 6.1989 -6.1671 3 1069.0185609 89502 303A14161 A14062 a-Alanine, conf. I
156063.7551 1.1881 -5.2758 3 448.3929417 89502 303691455 691356 a-Alanine, conf. I
156063.7551 1.1881 -6.5366 3 448.3929417 89502 303691455 691456 a-Alanine, conf. I
156063.7551 1.1881 -6.5366 3 448.3929417 89502 303691555 691356 a-Alanine, conf. I
156063.7551 1.1881 -5.2758 3 448.3929417 89502 303691555 691456 a-Alanine, conf. I
156084.9202 0.0525 -5.1531 3 77.6100171 89502 303281019 271018 a-Alanine, conf. I
156090.9805 0.1576 -5.2354 3 256.8860261 89502 3034334 9 433310 a-Alanine, conf. I
156090.9805 0.1576 -5.2354 3 256.8860261 89502 303433410 433311 a-Alanine, conf. I
156113.5179 3.2616 -5.5212 3 663.1995495 89502 303822260 822161 a-Alanine, conf. I
156113.5924 3.2615 -5.5212 3 663.1995495 89502 303822360 822261 a-Alanine, conf. I
156162.2842 0.6133 -5.2043 3 434.6838369 89502 303613526 613427 a-Alanine, conf. I
156162.2842 0.6133 -5.2043 3 434.6838369 89502 303613527 613428 a-Alanine, conf. I
156174.2430 0.9376 -6.2400 3 434.4794363 89502 303603723 593822 a-Alanine, conf. I
156174.2430 0.9376 -6.2400 3 434.4794363 89502 303603724 593821 a-Alanine, conf. I
156208.6749 9.2265 -6.5064 3 1257.2266663 89502 303B04368 B04269 a-Alanine, conf. I
156225.5554 0.0288 -5.9199 3 26.7519105 89502 30317 711 16 412 a-Alanine, conf. I
156239.9754 0.1576 -5.2609 3 249.0629255 89502 3034234 8 4233 9 a-Alanine, conf. I
156239.9754 0.1576 -5.2609 3 249.0629255 89502 3034234 9 423310 a-Alanine, conf. I
156244.7284 1.1768 -5.3484 3 562.0808429 89502 303713635 713536 a-Alanine, conf. I
156244.7289 1.1768 -5.3484 3 562.0808429 89502 303713636 713537 a-Alanine, conf. I
156249.6695 4.8628 -5.9953 3 971.7079579 89502 303964056 963957 a-Alanine, conf. I
156257.6508 0.0185 -4.9696 3 44.9406129 89502 303211012 20 911 a-Alanine, conf. I
156273.2292 0.0903 -5.2016 3 82.4412171 89502 303281316 271315 a-Alanine, conf. I
156297.7250 4.7871 -5.9951 3 971.7061579 89502 303964057 963958 a-Alanine, conf. I
156343.2895 12.4231 -6.3004 3 1138.1926639 89502 303A63472 A63373 a-Alanine, conf. I
156378.3291 0.1608 -5.2920 3 241.4249249 89502 3034134 7 4133 8 a-Alanine, conf. I
156378.3291 0.1608 -5.2920 3 241.4249249 89502 3034134 8 4133 9 a-Alanine, conf. I
156405.8814 2.6336 -5.6652 3 775.5011513 89502 303853847 853748 a-Alanine, conf. I
156406.8812 2.6324 -5.6652 3 775.5011513 89502 303853848 853749 a-Alanine, conf. I
156442.6232 0.0982 -5.2006 3 82.4451171 89502 303281315 271314 a-Alanine, conf. I
156444.4316 2.2964 -5.4057 3 576.6813465 89502 303771958 771859 a-Alanine, conf. I
156444.4342 2.2964 -5.4057 3 576.6813465 89502 303772058 771959 a-Alanine, conf. I
156481.5541 0.0067 -4.7481 3 39.0834111 89502 3031813 6 1712 5 a-Alanine, conf. I
156481.5556 0.0067 -5.8384 3 39.0834111 89502 3031813 5 1712 5 a-Alanine, conf. I
156481.5644 0.0067 -5.8384 3 39.0834111 89502 3031813 6 1712 6 a-Alanine, conf. I
156481.5659 0.0067 -4.7481 3 39.0834111 89502 3031813 5 1712 6 a-Alanine, conf. I
156506.5855 0.1666 -5.3302 3 233.9717243 89502 3034034 6 4033 7 a-Alanine, conf. I
156506.5855 0.1666 -5.3302 3 233.9717243 89502 3034034 7 4033 8 a-Alanine, conf. I
156583.2570 0.5684 -5.1942 3 423.4976363 89502 303603525 603426 a-Alanine, conf. I
156583.2570 0.5684 -5.1942 3 423.4976363 89502 303603526 603427 a-Alanine, conf. I
156625.2680 0.1746 -5.3776 3 226.7032237 89502 3033934 5 3933 6 a-Alanine, conf. I
156625.2680 0.1746 -5.3776 3 226.7032237 89502 3033934 6 3933 7 a-Alanine, conf. I
156654.9804 0.9236 -5.4626 3 133.4075219 89502 303361422 351521 a-Alanine, conf. I
156700.7518 0.8486 -5.4958 3 237.5410327 89502 30354 351 54 252 a-Alanine, conf. I
156700.7518 0.8486 -5.4958 3 237.5410327 89502 30354 451 54 352 a-Alanine, conf. I
156707.7992 0.9656 -6.2793 3 451.3405369 89502 303613823 603922 a-Alanine, conf. I
156707.7992 0.9656 -6.2793 3 451.3405369 89502 303613824 603921 a-Alanine, conf. I
156722.6290 0.0125 -5.8504 3 44.9406129 89502 303211011 20 911 a-Alanine, conf. I
156734.8804 0.1842 -5.4375 3 219.6191231 89502 3033834 4 3833 5 a-Alanine, conf. I
156734.8804 0.1842 -5.4375 3 219.6191231 89502 3033834 5 3833 6 a-Alanine, conf. I
156746.1883 11.7033 -6.2982 3 1138.1951639 89502 303A63572 A63473 a-Alanine, conf. I
156772.5104 0.6708 -5.2465 3 344.3795375 89502 30362 953 62 854 a-Alanine, conf. I
156772.5104 0.6708 -6.4670 3 344.3795375 89502 30362 953 62 954 a-Alanine, conf. I
156772.5104 0.6708 -6.4670 3 344.3795375 89502 303621053 62 854 a-Alanine, conf. I
156772.5104 0.6708 -5.2465 3 344.3795375 89502 303621053 62 954 a-Alanine, conf. I
156835.9083 0.1950 -5.5152 3 212.7193225 89502 3033734 3 3733 4 a-Alanine, conf. I
156835.9083 0.1950 -5.5152 3 212.7193225 89502 3033734 4 3733 5 a-Alanine, conf. I
156865.8440 1.7661 -5.4905 3 664.1089471 89502 303783741 783642 a-Alanine, conf. I
156865.8738 1.7660 -5.4905 3 664.1089471 89502 303783742 783643 a-Alanine, conf. I
156893.6472 3.6624 -5.5694 3 698.2296507 89502 303842361 842262 a-Alanine, conf. I
156893.8137 3.6622 -5.5694 3 698.2296507 89502 303842461 842362 a-Alanine, conf. I
156900.5739 1.1009 -5.3296 3 548.9998423 89502 303703634 703535 a-Alanine, conf. I
156900.5741 1.1009 -5.3296 3 548.9998423 89502 303703635 703536 a-Alanine, conf. I
156928.8197 0.2067 -5.6212 3 206.0035219 89502 3033634 2 3633 3 a-Alanine, conf. I
156928.8197 0.2067 -5.6212 3 206.0035219 89502 3033634 3 3633 4 a-Alanine, conf. I
156936.3916 8.0641 -6.3112 3 1151.3381633 89502 303A54263 A54164 a-Alanine, conf. I
156966.2710 0.0432 -5.0527 3 87.6196201 89502 30333 231 32 230 a-Alanine, conf. I
156966.2710 0.0432 -4.4601 3 87.6196201 89502 30333 231 32 330 a-Alanine, conf. I
156966.2710 0.0432 -4.4601 3 87.6196201 89502 30333 331 32 230 a-Alanine, conf. I
156966.2710 0.0432 -5.0527 3 87.6196201 89502 30333 331 32 330 a-Alanine, conf. I
156980.9429 0.5259 -5.1851 3 412.5009357 89502 303593524 593425 a-Alanine, conf. I
156980.9429 0.5259 -5.1851 3 412.5009357 89502 303593525 593426 a-Alanine, conf. I
156998.0623 0.6903 -5.3041 3 289.1302351 89502 30358 652 58 553 a-Alanine, conf. I
156998.0623 0.6903 -6.5027 3 289.1302351 89502 30358 652 58 653 a-Alanine, conf. I
156998.0623 0.6903 -6.5027 3 289.1302351 89502 30358 752 58 553 a-Alanine, conf. I
156998.0623 0.6903 -5.3041 3 289.1302351 89502 30358 752 58 653 a-Alanine, conf. I
157014.0659 0.2189 -5.7785 3 199.4715213 89502 3033534 1 3533 2 a-Alanine, conf. I
157014.0659 0.2189 -5.7785 3 199.4715213 89502 3033534 2 3533 3 a-Alanine, conf. I
157076.2671 0.0261 -6.1890 3 36.5442129 89502 30321 318 20 218 a-Alanine, conf. I
157076.9677 0.0260 -6.1890 3 36.5442129 89502 30321 418 20 318 a-Alanine, conf. I
157081.2358 2.2528 -5.9955 3 228.8675285 89502 303471829 471532 a-Alanine, conf. I
157088.9531 0.0941 -5.1763 3 80.6764171 89502 303281217 271216 a-Alanine, conf. I
157092.0826 0.2314 -6.0609 3 193.1232207 89502 3033434 0 3433 1 a-Alanine, conf. I
157092.0826 0.2314 -6.0609 3 193.1232207 89502 3033434 1 3433 2 a-Alanine, conf. I
157094.6418 0.0086 -4.7992 3 40.6184117 89502 3031912 8 1811 7 a-Alanine, conf. I
157094.8546 0.0086 -5.8448 3 40.6184117 89502 3031912 7 1811 7 a-Alanine, conf. I
157095.8844 0.0086 -5.8448 3 40.6184117 89502 3031912 8 1811 8 a-Alanine, conf. I
157096.0971 0.0086 -4.7992 3 40.6184117 89502 3031912 7 1811 8 a-Alanine, conf. I
157117.2575 0.7004 -5.6996 3 242.3438285 89502 303472325 462422 a-Alanine, conf. I
157117.9662 0.7006 -5.6996 3 242.3438285 89502 303472324 462423 a-Alanine, conf. I
157133.8234 0.6869 -5.6671 3 230.3821279 89502 303462225 452322 a-Alanine, conf. I
157136.9786 0.6876 -5.6671 3 230.3821279 89502 303462224 452323 a-Alanine, conf. I
157169.6954 0.2453 -5.5235 3 156.3719237 89502 303391525 381622 a-Alanine, conf. I
157195.8052 0.7161 -5.7325 3 254.6468291 89502 303482425 472522 a-Alanine, conf. I
157195.9576 0.7161 -5.7325 3 254.6468291 89502 303482424 472523 a-Alanine, conf. I
157212.4548 1.7946 -5.3462 3 526.2799447 89502 303741757 741658 a-Alanine, conf. I
157212.4550 1.7946 -5.3462 3 526.2799447 89502 303741857 741758 a-Alanine, conf. I
157248.9680 0.9945 -6.3191 3 468.5381375 89502 303623923 614022 a-Alanine, conf. I
157248.9680 0.9945 -6.3191 3 468.5381375 89502 303623924 614021 a-Alanine, conf. I
157251.2951 0.0379 -4.5917 3 85.4163189 89502 30331 526 30 625 a-Alanine, conf. I
157251.3219 0.0379 -5.0947 3 85.4163189 89502 30331 626 30 625 a-Alanine, conf. I
157251.3653 0.0379 -5.0947 3 85.4163189 89502 30331 526 30 525 a-Alanine, conf. I
157251.3920 0.0379 -4.5917 3 85.4163189 89502 30331 626 30 525 a-Alanine, conf. I
157269.2753 0.6756 -5.6349 3 218.7628273 89502 303452125 442222 a-Alanine, conf. I
157278.3635 0.1562 -6.4604 3 107.0778195 89502 303321419 321122 a-Alanine, conf. I
157282.6666 0.6782 -5.6348 3 218.7628273 89502 303452124 442223 a-Alanine, conf. I
157295.3810 7.3874 -6.3093 3 1151.3240633 89502 303A54264 A54165 a-Alanine, conf. I
157302.9938 0.0794 -5.1581 3 79.0939171 89502 303281118 271117 a-Alanine, conf. I
157325.3904 0.1243 -5.1434 3 73.0143165 89502 303271017 261016 a-Alanine, conf. I
157326.6838 0.1559 -6.4758 3 109.4353201 89502 303331122 321220 a-Alanine, conf. I
157339.6434 0.0811 -5.1318 3 43.6690129 89502 30321 912 20 813 a-Alanine, conf. I
157339.7443 0.8053 -5.2454 3 386.8605393 89502 303651154 651055 a-Alanine, conf. I
157339.7443 0.8053 -6.4810 3 386.8605393 89502 303651154 651155 a-Alanine, conf. I
157339.7443 0.8053 -6.4810 3 386.8605393 89502 303651254 651055 a-Alanine, conf. I
157339.7443 0.8053 -5.2454 3 386.8605393 89502 303651254 651155 a-Alanine, conf. I
157350.9179 0.7335 -5.7658 3 267.2904297 89502 303492525 482622 a-Alanine, conf. I
157350.9494 0.7335 -5.7658 3 267.2904297 89502 303492524 482623 a-Alanine, conf. I
157356.4848 0.4857 -5.1772 3 401.6936351 89502 303583523 583424 a-Alanine, conf. I
157356.4848 0.4857 -5.1772 3 401.6936351 89502 303583524 583425 a-Alanine, conf. I
157372.7082 3.4306 -5.8042 3 862.2744543 89502 303903951 903852 a-Alanine, conf. I
157374.5422 10.9735 -6.2182 3 1094.1257627 89502 303A43371 A43272 a-Alanine, conf. I
157377.9789 3.4232 -5.8042 3 862.2742543 89502 303903952 903853 a-Alanine, conf. I
157459.6893 0.0105 -4.8651 3 42.5472123 89502 303201110 1910 9 a-Alanine, conf. I
157473.9828 0.0106 -5.8479 3 42.5472123 89502 3032011 9 1910 9 a-Alanine, conf. I
157493.2010 4.8304 -6.4026 3 315.6794339 89502 303561839 551936 a-Alanine, conf. I
157513.8384 2.4596 -5.6360 3 759.7453507 89502 303843846 843747 a-Alanine, conf. I
157514.2911 2.4590 -5.6360 3 759.7453507 89502 303843847 843748 a-Alanine, conf. I
157521.6513 1.0296 -5.3117 3 536.1116417 89502 303693633 693534 a-Alanine, conf. I
157521.6514 1.0296 -5.3117 3 536.1116417 89502 303693634 693535 a-Alanine, conf. I
157526.8145 0.0108 -5.8477 3 42.5449123 89502 303201110 191010 a-Alanine, conf. I
157539.2787 2.6043 -5.4452 3 609.5830477 89502 303792059 791960 a-Alanine, conf. I
157539.2850 2.6043 -5.4452 3 609.5830477 89502 303792159 792060 a-Alanine, conf. I
157540.3503 0.9295 -5.6373 3 223.8955321 89502 30353 251 53 152 a-Alanine, conf. I
157540.3503 0.9295 -5.6373 3 223.8955321 89502 30353 351 53 252 a-Alanine, conf. I
157541.1080 0.0110 -4.8647 3 42.5449123 89502 3032011 9 191010 a-Alanine, conf. I
157547.4207 0.0470 -4.8196 3 81.2059177 89502 30329 821 28 920 a-Alanine, conf. I
157551.0138 0.6661 -5.6030 3 207.4869267 89502 303442025 432122 a-Alanine, conf. I
157566.7459 4.1014 -5.6207 3 734.0985519 89502 303862462 862363 a-Alanine, conf. I
157567.1111 4.1010 -5.6207 3 734.0985519 89502 303862562 862463 a-Alanine, conf. I
157568.4128 0.7522 -5.7994 3 280.2741303 89502 303502625 492722 a-Alanine, conf. I
157568.4191 0.7522 -5.7994 3 280.2741303 89502 303502624 492723 a-Alanine, conf. I
157588.5214 10.6038 -6.2170 3 1094.1269627 89502 303A43471 A43372 a-Alanine, conf. I
157590.6540 1.3788 -5.2985 3 477.8291429 89502 303711556 711457 a-Alanine, conf. I
157590.6540 1.3788 -5.2985 3 477.8291429 89502 303711656 711557 a-Alanine, conf. I
157604.8849 0.6757 -5.6026 3 207.4869267 89502 303442024 432123 a-Alanine, conf. I
157616.8430 1.5196 -6.0202 3 221.9386279 89502 303461927 461630 a-Alanine, conf. I
157621.7296 1.0465 -5.2640 3 431.3497411 89502 303681355 681256 a-Alanine, conf. I
157621.7296 1.0465 -6.5155 3 431.3497411 89502 303681355 681356 a-Alanine, conf. I
157621.7296 1.0465 -6.5155 3 431.3497411 89502 303681455 681256 a-Alanine, conf. I
157621.7296 1.0465 -5.2640 3 431.3497411 89502 303681455 681356 a-Alanine, conf. I
157693.6973 0.0863 -6.3516 3 134.9940177 89502 3032928 1 2828 0 a-Alanine, conf. I
157693.6973 0.0863 -6.3516 3 134.9940177 89502 3032928 2 2828 1 a-Alanine, conf. I
157709.0308 2.4804 -6.0673 3 209.2128273 89502 303451728 451431 a-Alanine, conf. I
157710.9567 0.4476 -5.1704 3 391.0752345 89502 303573522 573423 a-Alanine, conf. I
157710.9567 0.4476 -5.1704 3 391.0752345 89502 303573523 573424 a-Alanine, conf. I
157718.7788 1.6540 -5.4664 3 649.6956465 89502 303773740 773641 a-Alanine, conf. I
157718.7911 1.6539 -5.4664 3 649.6956465 89502 303773741 773642 a-Alanine, conf. I
157751.9458 10.0553 -6.4631 3 1236.7089657 89502 303A94366 A94267 a-Alanine, conf. I
157762.6344 5.9290 -6.1269 3 1050.1952603 89502 303A04159 A04060 a-Alanine, conf. I
157776.3510 0.0765 -6.0488 3 130.6925177 89502 3032927 2 2827 1 a-Alanine, conf. I
157776.3510 0.0765 -6.0488 3 130.6925177 89502 3032927 3 2827 2 a-Alanine, conf. I
157780.4065 0.1491 -4.9531 3 82.8165177 89502 30329 920 281019 a-Alanine, conf. I
157796.8387 1.0244 -6.3594 3 486.0722381 89502 303634023 624122 a-Alanine, conf. I
157796.8387 1.0244 -6.3594 3 486.0722381 89502 303634024 624121 a-Alanine, conf. I
157830.1428 4.0694 -6.2815 3 272.5795315 89502 303521736 511833 a-Alanine, conf. I
157837.3684 0.7722 -5.8334 3 293.5972309 89502 303512725 502822 a-Alanine, conf. I
157837.3696 0.7722 -5.8334 3 293.5972309 89502 303512724 502823 a-Alanine, conf. I
157853.7635 15.7726 -6.4945 3 1249.1498669 89502 303B13675 B13576 a-Alanine, conf. I
157854.4908 4.4831 -5.9581 3 953.8401573 89502 303954055 953956 a-Alanine, conf. I
157861.8829 5.7577 -6.1263 3 1050.1913603 89502 303A04160 A04061 a-Alanine, conf. I
157869.4649 0.0676 -5.8714 3 126.5502177 89502 3032926 3 2826 2 a-Alanine, conf. I
157869.4649 0.0676 -5.8714 3 126.5502177 89502 3032926 4 2826 3 a-Alanine, conf. I
157878.8328 4.4451 -5.9579 3 953.8392573 89502 303954056 953957 a-Alanine, conf. I
157885.5445 0.0166 -5.8460 3 44.8863129 89502 303211012 20 912 a-Alanine, conf. I
157902.5699 3.0422 -6.1356 3 232.5711291 89502 303481633 471730 a-Alanine, conf. I
157952.2555 0.6654 -5.2583 3 328.8964369 89502 30361 853 61 754 a-Alanine, conf. I
157952.2555 0.6654 -6.4709 3 328.8964369 89502 30361 853 61 854 a-Alanine, conf. I
157952.2555 0.6654 -6.4709 3 328.8964369 89502 30361 953 61 754 a-Alanine, conf. I
157952.2555 0.6654 -5.2583 3 328.8964369 89502 30361 953 61 854 a-Alanine, conf. I
157974.7860 0.0598 -5.7456 3 122.5675177 89502 3032925 4 2825 3 a-Alanine, conf. I
157974.7860 0.0598 -5.7456 3 122.5675177 89502 3032925 5 2825 4 a-Alanine, conf. I
157995.1106 0.7513 -5.3464 3 274.5574345 89502 30357 552 57 453 a-Alanine, conf. I
157995.1106 0.7513 -6.5378 3 274.5574345 89502 30357 552 57 553 a-Alanine, conf. I
157995.1106 0.7513 -6.5378 3 274.5574345 89502 30357 652 57 453 a-Alanine, conf. I
157995.1106 0.7513 -5.3464 3 274.5574345 89502 30357 652 57 553 a-Alanine, conf. I
157995.3525 0.0389 -5.1286 3 81.2059177 89502 30329 921 28 920 a-Alanine, conf. I
157998.5753 0.6556 -5.5716 3 196.5562261 89502 303431925 422022 a-Alanine, conf. I
158008.2187 0.0326 -6.3452 3 34.7007129 89502 30321 219 20 119 a-Alanine, conf. I
158008.2421 0.0326 -6.3452 3 34.7007129 89502 30321 319 20 219 a-Alanine, conf. I
158037.0381 0.0471 -5.7921 3 52.2895141 89502 30323 914 22 814 a-Alanine, conf. I
158045.3703 0.4117 -5.1648 3 380.6455339 89502 303563521 563422 a-Alanine, conf. I
158045.3703 0.4117 -6.5512 3 380.6455339 89502 303563521 563423 a-Alanine, conf. I
158045.3703 0.4117 -6.5512 3 380.6455339 89502 303563522 563422 a-Alanine, conf. I
158045.3703 0.4117 -5.1648 3 380.6455339 89502 303563522 563423 a-Alanine, conf. I
158094.4602 0.0534 -5.6482 3 118.7450177 89502 3032924 5 2824 4 a-Alanine, conf. I
158094.4602 0.0534 -5.6482 3 118.7450177 89502 3032924 6 2824 5 a-Alanine, conf. I
158109.8970 0.9625 -5.2946 3 523.4157411 89502 303683632 683533 a-Alanine, conf. I
158109.8971 0.9625 -5.2946 3 523.4157411 89502 303683633 683534 a-Alanine, conf. I
158124.4225 9.7692 -6.1394 3 1050.8599615 89502 303A23270 A23171 a-Alanine, conf. I
158126.6902 0.3639 -6.5191 3 115.8585207 89502 303341123 331221 a-Alanine, conf. I
158126.9141 4.5826 -5.6751 3 770.8033531 89502 303882563 882464 a-Alanine, conf. I
158127.4149 5.3138 -6.5042 3 361.8244363 89502 303601942 592039 a-Alanine, conf. I
158127.7019 4.5817 -5.6751 3 770.8033531 89502 303882663 882564 a-Alanine, conf. I
158149.2508 0.7933 -5.8679 3 307.2595315 89502 303522825 512922 a-Alanine, conf. I
158149.2510 0.7933 -5.8679 3 307.2595315 89502 303522824 512923 a-Alanine, conf. I
158202.4141 0.6873 -5.5704 3 196.5559261 89502 303431924 422023 a-Alanine, conf. I
158202.4809 0.3774 -6.4915 3 105.2218195 89502 303321320 321023 a-Alanine, conf. I
158228.4793 0.1368 -5.1697 3 80.7106171 89502 303281216 271215 a-Alanine, conf. I
158231.1539 0.0488 -5.5689 3 115.0832177 89502 3032923 6 2823 5 a-Alanine, conf. I
158231.1539 0.0488 -5.5689 3 115.0832177 89502 3032923 7 2823 6 a-Alanine, conf. I
158236.2815 9.5829 -6.1388 3 1050.8605615 89502 303A23370 A23271 a-Alanine, conf. I
158268.0185 1.7399 -5.9449 3 249.3505297 89502 303491930 491633 a-Alanine, conf. I
158333.7437 1.0126 -5.9043 3 210.4776315 89502 30352 151 52 052 a-Alanine, conf. I
158333.7437 1.0126 -5.9043 3 210.4776315 89502 30352 251 52 152 a-Alanine, conf. I
158350.5226 0.0248 -4.9630 3 44.8863129 89502 303211011 20 912 a-Alanine, conf. I
158350.6105 1.0553 -6.4004 3 503.9427387 89502 303644123 634222 a-Alanine, conf. I
158350.6105 1.0553 -6.4004 3 503.9427387 89502 303644124 634221 a-Alanine, conf. I
158360.6802 0.3778 -5.1605 3 370.4041333 89502 303553520 553421 a-Alanine, conf. I
158360.6802 0.3778 -6.5431 3 370.4041333 89502 303553520 553422 a-Alanine, conf. I
158360.6802 0.3778 -6.5431 3 370.4041333 89502 303553521 553421 a-Alanine, conf. I
158360.6802 0.3778 -5.1605 3 370.4041333 89502 303553521 553422 a-Alanine, conf. I
158388.2217 0.0463 -5.5022 3 111.5829177 89502 3032922 7 2822 6 a-Alanine, conf. I
158388.2217 0.0463 -5.5022 3 111.5829177 89502 3032922 8 2822 7 a-Alanine, conf. I
158390.2469 0.0584 -5.0291 3 89.6741207 89502 30334 133 33 132 a-Alanine, conf. I
158390.2469 0.0584 -4.4151 3 89.6741207 89502 30334 133 33 232 a-Alanine, conf. I
158390.2469 0.0584 -4.4151 3 89.6741207 89502 30334 233 33 132 a-Alanine, conf. I
158390.2469 0.0584 -5.0291 3 89.6741207 89502 30334 233 33 232 a-Alanine, conf. I
158408.8988 8.7148 -6.4595 3 1236.6827657 89502 303A94367 A94268 a-Alanine, conf. I
158452.5794 1.6610 -6.1574 3 186.0001255 89502 303421824 421527 a-Alanine, conf. I
158459.2674 0.0384 -5.1257 3 81.1755177 89502 30329 821 28 820 a-Alanine, conf. I
158495.8032 2.0528 -5.3796 3 557.8838459 89502 303761858 761759 a-Alanine, conf. I
158495.8036 2.0528 -5.3796 3 557.8838459 89502 303761958 761859 a-Alanine, conf. I
158497.2878 0.8152 -5.9028 3 321.2604321 89502 303532924 523023 a-Alanine, conf. I
158497.2878 0.8152 -5.9028 3 321.2604321 89502 303532925 523022 a-Alanine, conf. I
158526.3020 1.5497 -5.4433 3 635.4773459 89502 303763739 763640 a-Alanine, conf. I
158526.3070 1.5497 -5.4433 3 635.4773459 89502 303763740 763641 a-Alanine, conf. I
158543.3552 2.9414 -5.4879 3 643.3321489 89502 303812160 812061 a-Alanine, conf. I
158543.3701 2.9413 -5.4879 3 643.3321489 89502 303812260 812161 a-Alanine, conf. I
158560.0353 2.3003 -5.6077 3 744.1874501 89502 303833845 833746 a-Alanine, conf. I
158560.2366 2.3000 -5.6077 3 744.1874501 89502 303833846 833747 a-Alanine, conf. I
158567.3968 5.1110 -5.7325 3 808.3408543 89502 303902664 902565 a-Alanine, conf. I
158569.0692 5.1089 -5.7324 3 808.3408543 89502 303902764 902665 a-Alanine, conf. I
158569.9481 0.0461 -5.4449 3 108.2449177 89502 3032921 8 2821 7 a-Alanine, conf. I
158569.9481 0.0461 -5.4449 3 108.2449177 89502 3032921 9 2821 8 a-Alanine, conf. I
158582.6758 0.6347 -5.5417 3 185.9731255 89502 303421825 411922 a-Alanine, conf. I
158602.1476 0.0392 -5.9928 3 25.6339105 89502 30317 612 16 313 a-Alanine, conf. I
158614.3059 0.0212 -6.4773 3 20.3431 99 89502 30316 313 15 214 a-Alanine, conf. I
158639.3729 8.7400 -6.0640 3 1008.4001603 89502 303A03169 A03070 a-Alanine, conf. I
158641.4906 2.7681 -6.5338 3 356.5327357 89502 303592039 582336 a-Alanine, conf. I
158642.4972 0.0380 -4.5317 3 88.0899195 89502 30332 428 31 527 a-Alanine, conf. I
158642.4976 0.0380 -5.0717 3 88.0899195 89502 30332 528 31 527 a-Alanine, conf. I
158642.4982 0.0380 -5.0717 3 88.0899195 89502 30332 428 31 427 a-Alanine, conf. I
158642.4986 0.0380 -4.5317 3 88.0899195 89502 30332 528 31 427 a-Alanine, conf. I
158647.3788 14.1936 -6.4902 3 1249.1551669 89502 303B13775 B13676 a-Alanine, conf. I
158656.8385 0.7397 -5.2456 3 370.6958387 89502 303641054 64 955 a-Alanine, conf. I
158656.8385 0.7397 -6.4728 3 370.6958387 89502 303641054 641055 a-Alanine, conf. I
158656.8385 0.7397 -6.4728 3 370.6958387 89502 303641154 64 955 a-Alanine, conf. I
158656.8385 0.7397 -5.2456 3 370.6958387 89502 303641154 641055 a-Alanine, conf. I
158657.7898 0.3461 -5.1576 3 360.3506327 89502 303543519 543420 a-Alanine, conf. I
158657.7898 0.3461 -6.5365 3 360.3506327 89502 303543519 543421 a-Alanine, conf. I
158657.7898 0.3461 -6.5365 3 360.3506327 89502 303543520 543420 a-Alanine, conf. I
158657.7898 0.3461 -5.1576 3 360.3506327 89502 303543520 543421 a-Alanine, conf. I
158659.2136 3.1947 -5.7716 3 845.5656537 89502 303893950 893851 a-Alanine, conf. I
158661.7184 3.1912 -5.7716 3 845.5655537 89502 303893951 893852 a-Alanine, conf. I
158667.0923 0.8991 -5.2785 3 510.9116405 89502 303673631 673532 a-Alanine, conf. I
158667.0923 0.8991 -5.2785 3 510.9116405 89502 303673632 673533 a-Alanine, conf. I
158692.8626 0.0208 -6.4770 3 20.3431 99 89502 30316 413 15 114 a-Alanine, conf. I
158696.9683 8.6479 -6.0637 3 1008.4004603 89502 303A03269 A03170 a-Alanine, conf. I
158742.0938 0.1233 -5.8170 3 51.4526141 89502 30323 815 22 715 a-Alanine, conf. I
158781.9022 0.0483 -5.3947 3 105.0704177 89502 3032920 9 2820 8 a-Alanine, conf. I
158781.9022 0.0483 -5.3947 3 105.0704177 89502 303292010 2820 9 a-Alanine, conf. I
158876.0286 0.8380 -5.9383 3 335.5997327 89502 303543024 533123 a-Alanine, conf. I
158876.0286 0.8380 -5.9383 3 335.5997327 89502 303543025 533122 a-Alanine, conf. I
158880.3637 5.6923 -5.7928 3 846.7078555 89502 303922765 922666 a-Alanine, conf. I
158883.8599 5.6877 -5.7928 3 846.7078555 89502 303922865 922766 a-Alanine, conf. I
158907.1993 0.0449 -4.8110 3 81.1755177 89502 30329 921 28 820 a-Alanine, conf. I
158909.5756 1.0874 -6.4420 3 522.1494393 89502 303654223 644322 a-Alanine, conf. I
158909.5756 1.0874 -6.4420 3 522.1494393 89502 303654224 644321 a-Alanine, conf. I
158937.5551 0.3165 -5.1561 3 350.4849321 89502 303533518 533419 a-Alanine, conf. I
158937.5551 0.3165 -6.5314 3 350.4849321 89502 303533518 533420 a-Alanine, conf. I
158937.5551 0.3165 -6.5314 3 350.4849321 89502 303533519 533419 a-Alanine, conf. I
158937.5551 0.3165 -5.1561 3 350.4849321 89502 303533519 533420 a-Alanine, conf. I
158937.9015 0.8240 -5.4071 3 260.2072339 89502 30356 452 56 353 a-Alanine, conf. I
158937.9015 0.8240 -5.4071 3 260.2072339 89502 30356 552 56 453 a-Alanine, conf. I
158951.7586 7.8418 -5.9916 3 966.7509591 89502 303983068 982969 a-Alanine, conf. I
158980.9797 7.7970 -5.9915 3 966.7511591 89502 303983168 983069 a-Alanine, conf. I
159031.4800 0.0524 -5.3503 3 102.0610177 89502 303291911 281910 a-Alanine, conf. I
159031.4801 0.0524 -5.3503 3 102.0610177 89502 303291910 2819 9 a-Alanine, conf. I
159043.8079 1.5922 -5.3252 3 508.1251441 89502 303731657 731558 a-Alanine, conf. I
159043.8080 1.5922 -5.3252 3 508.1251441 89502 303731757 731658 a-Alanine, conf. I
159050.5921 0.4611 -5.5030 3 165.8689243 89502 303401625 391722 a-Alanine, conf. I
159056.5893 6.3341 -5.8561 3 885.9009567 89502 303942866 942767 a-Alanine, conf. I
159063.7894 6.3241 -5.8561 3 885.9010567 89502 303942966 942867 a-Alanine, conf. I
159067.5072 0.6895 -5.2777 3 313.6300363 89502 30360 753 60 654 a-Alanine, conf. I
159067.5072 0.6895 -6.4827 3 313.6300363 89502 30360 753 60 754 a-Alanine, conf. I
159067.5072 0.6895 -6.4827 3 313.6300363 89502 30360 853 60 654 a-Alanine, conf. I
159067.5072 0.6895 -5.2777 3 313.6300363 89502 30360 853 60 754 a-Alanine, conf. I
159068.2106 7.2504 -6.2670 3 1131.7489627 89502 303A44262 A44163 a-Alanine, conf. I
159084.9683 7.0462 -5.9224 3 925.9165579 89502 303962967 962868 a-Alanine, conf. I
159090.9621 0.9276 -5.2557 3 414.5121405 89502 303671255 671156 a-Alanine, conf. I
159090.9621 0.9276 -6.4983 3 414.5121405 89502 303671255 671256 a-Alanine, conf. I
159090.9621 0.9276 -6.4983 3 414.5121405 89502 303671355 671156 a-Alanine, conf. I
159090.9621 0.9276 -5.2557 3 414.5121405 89502 303671355 671256 a-Alanine, conf. I
159099.5793 7.0248 -5.9223 3 925.9166579 89502 303963067 962968 a-Alanine, conf. I
159117.7162 0.5820 -5.5161 3 175.7414249 89502 303411725 401822 a-Alanine, conf. I
159146.0052 0.0396 -4.7052 3 84.5924183 89502 30330 723 29 822 a-Alanine, conf. I
159162.1410 0.3370 -5.0877 3 89.7700183 89502 303301020 291119 a-Alanine, conf. I
159165.3961 0.0396 -5.1089 3 84.5924183 89502 30330 823 29 822 a-Alanine, conf. I
159190.3415 0.0397 -5.1088 3 84.5909183 89502 30330 723 29 722 a-Alanine, conf. I
159194.8819 0.8394 -5.2632 3 498.5989399 89502 303663630 663531 a-Alanine, conf. I
159194.8819 0.8394 -5.2632 3 498.5989399 89502 303663631 663532 a-Alanine, conf. I
159200.7888 0.2890 -5.1562 3 340.8067315 89502 303523517 523418 a-Alanine, conf. I
159200.7888 0.2890 -6.5280 3 340.8067315 89502 303523517 523419 a-Alanine, conf. I
159200.7888 0.2890 -6.5280 3 340.8067315 89502 303523518 523418 a-Alanine, conf. I
159200.7888 0.2890 -5.1562 3 340.8067315 89502 303523518 523419 a-Alanine, conf. I
159209.7324 0.0398 -4.7049 3 84.5909183 89502 30330 823 29 722 a-Alanine, conf. I
159229.9077 1.2161 -5.2833 3 460.3279423 89502 303701456 701357 a-Alanine, conf. I
159229.9077 1.2161 -6.5419 3 460.3279423 89502 303701456 701457 a-Alanine, conf. I
159229.9077 1.2161 -6.5419 3 460.3279423 89502 303701556 701357 a-Alanine, conf. I
159229.9077 1.2161 -5.2833 3 460.3279423 89502 303701556 701457 a-Alanine, conf. I
159263.4648 6.8825 -6.2660 3 1131.7412627 89502 303A44263 A44164 a-Alanine, conf. I
159281.0298 0.8616 -5.9742 3 350.2772333 89502 303553124 543223 a-Alanine, conf. I
159281.0298 0.8616 -5.9742 3 350.2772333 89502 303553125 543222 a-Alanine, conf. I
159291.2722 1.4525 -5.4209 3 621.4536453 89502 303753738 753639 a-Alanine, conf. I
159291.2742 1.4525 -5.4209 3 621.4536453 89502 303753739 753640 a-Alanine, conf. I
159300.1369 0.7312 -5.5373 3 185.9719255 89502 303421824 411923 a-Alanine, conf. I
159328.7690 0.0581 -5.3105 3 99.2186177 89502 303291812 281811 a-Alanine, conf. I
159328.7697 0.0581 -5.3105 3 99.2186177 89502 303291811 281810 a-Alanine, conf. I
159353.5393 4.1524 -5.9219 3 936.1754567 89502 303944054 943955 a-Alanine, conf. I
159365.6514 4.1337 -5.9219 3 936.1749567 89502 303944055 943956 a-Alanine, conf. I
159378.5640 13.7684 -6.4050 3 1203.0837657 89502 303A93574 A93475 a-Alanine, conf. I
159415.0393 0.0564 -5.8742 3 46.3320135 89502 30322 815 21 715 a-Alanine, conf. I
159448.2641 0.2639 -5.1580 3 331.3155309 89502 303513516 513417 a-Alanine, conf. I
159448.2641 0.2639 -6.5263 3 331.3155309 89502 303513516 513418 a-Alanine, conf. I
159448.2641 0.2639 -6.5263 3 331.3155309 89502 303513517 513417 a-Alanine, conf. I
159448.2641 0.2639 -5.1580 3 331.3155309 89502 303513517 513418 a-Alanine, conf. I
159452.8051 3.3101 -5.5338 3 677.9259501 89502 303832261 832162 a-Alanine, conf. I
159452.8394 3.3101 -5.5338 3 677.9259501 89502 303832361 832262 a-Alanine, conf. I
159473.1064 1.1207 -6.4841 3 540.6923399 89502 303664323 654422 a-Alanine, conf. I
159473.1064 1.1207 -6.4841 3 540.6923399 89502 303664324 654421 a-Alanine, conf. I
159528.3564 5.4358 -6.0870 3 1031.5710597 89502 303994158 994059 a-Alanine, conf. I
159549.1254 2.1537 -5.5803 3 728.8266495 89502 303823844 823745 a-Alanine, conf. I
159549.2132 2.1536 -5.5803 3 728.8266495 89502 303823845 823746 a-Alanine, conf. I
159579.9935 5.3471 -6.0867 3 1031.5690597 89502 303994159 994060 a-Alanine, conf. I
159591.0419 2.4686 -6.1533 3 190.3946261 89502 303431627 431330 a-Alanine, conf. I
159610.1127 0.0352 -5.1258 3 77.3062171 89502 30328 919 27 918 a-Alanine, conf. I
159680.7176 0.2412 -5.1617 3 322.0113303 89502 303503515 503416 a-Alanine, conf. I
159680.7176 0.2412 -6.5266 3 322.0113303 89502 303503515 503417 a-Alanine, conf. I
159680.7176 0.2412 -6.5266 3 322.0113303 89502 303503516 503416 a-Alanine, conf. I
159680.7176 0.2412 -5.1617 3 322.0113303 89502 303503516 503417 a-Alanine, conf. I
159688.0007 0.0652 -5.2746 3 96.5459177 89502 303291713 281712 a-Alanine, conf. I
159688.0174 0.0652 -5.2746 3 96.5459177 89502 303291712 281711 a-Alanine, conf. I
159694.7891 0.7828 -5.2489 3 486.4772393 89502 303653629 653530 a-Alanine, conf. I
159694.7891 0.7828 -5.2489 3 486.4772393 89502 303653630 653531 a-Alanine, conf. I
159696.7268 2.3366 -5.4165 3 590.3404471 89502 303781959 781860 a-Alanine, conf. I
159696.7280 2.3366 -5.4165 3 590.3404471 89502 303782059 781960 a-Alanine, conf. I
159708.6288 0.8859 -6.0106 3 365.2925339 89502 303563224 553323 a-Alanine, conf. I
159708.6288 0.8859 -6.0106 3 365.2925339 89502 303563225 553322 a-Alanine, conf. I
159745.1528 0.0111 -5.7726 3 39.3809 99 89502 3031616 0 1515 0 a-Alanine, conf. I
159745.1528 0.0111 -4.6103 3 39.3809 99 89502 3031616 0 1515 1 a-Alanine, conf. I
159745.1528 0.0111 -4.6103 3 39.3809 99 89502 3031616 1 1515 0 a-Alanine, conf. I
159745.1528 0.0111 -5.7726 3 39.3809 99 89502 3031616 1 1515 1 a-Alanine, conf. I
159805.8489 12.9408 -6.4027 3 1203.0864657 89502 303A93674 A93575 a-Alanine, conf. I
159807.9918 0.0829 -5.0058 3 91.5453213 89502 30335 035 34 034 a-Alanine, conf. I
159807.9918 0.0829 -4.3737 3 91.5453213 89502 30335 035 34 134 a-Alanine, conf. I
159807.9918 0.0829 -4.3737 3 91.5453213 89502 30335 135 34 034 a-Alanine, conf. I
159807.9918 0.0829 -5.0058 3 91.5453213 89502 30335 135 34 134 a-Alanine, conf. I
159829.6543 0.9039 -5.4965 3 246.0814333 89502 30355 352 55 253 a-Alanine, conf. I
159829.6543 0.9039 -5.4965 3 246.0814333 89502 30355 452 55 353 a-Alanine, conf. I
159853.0020 0.0673 -5.9213 3 44.9646135 89502 30322 616 21 516 a-Alanine, conf. I
159871.1682 2.9814 -5.7399 3 829.0564531 89502 303883949 883850 a-Alanine, conf. I
159872.3375 2.9799 -5.7399 3 829.0564531 89502 303883950 883851 a-Alanine, conf. I
159898.8523 0.2213 -5.1674 3 312.8936297 89502 303493514 493415 a-Alanine, conf. I
159898.8523 0.2213 -6.5290 3 312.8936297 89502 303493514 493416 a-Alanine, conf. I
159898.8523 0.2213 -6.5290 3 312.8936297 89502 303493515 493415 a-Alanine, conf. I
159898.8523 0.2213 -5.1674 3 312.8936297 89502 303493515 493416 a-Alanine, conf. I
159901.5558 0.7064 -5.2509 3 354.7438381 89502 30363 954 63 855 a-Alanine, conf. I
159901.5558 0.7064 -6.4701 3 354.7438381 89502 30363 954 63 955 a-Alanine, conf. I
159901.5558 0.7064 -6.4701 3 354.7438381 89502 303631054 63 855 a-Alanine, conf. I
159901.5558 0.7064 -5.2509 3 354.7438381 89502 303631054 63 955 a-Alanine, conf. I
159918.6611 0.0369 -4.9822 3 48.9173135 89502 303221013 21 912 a-Alanine, conf. I
160009.3025 0.7996 -6.4199 3 342.7834351 89502 303581939 572236 a-Alanine, conf. I
160011.5357 0.0266 -6.3556 3 24.5603 99 89502 30316 8 9 15 510 a-Alanine, conf. I
160016.2730 1.3616 -5.3995 3 607.6237447 89502 303743737 743638 a-Alanine, conf. I
160016.2738 1.3616 -5.3995 3 607.6237447 89502 303743738 743639 a-Alanine, conf. I
160040.6436 1.1553 -6.5269 3 559.5712405 89502 303674423 664522 a-Alanine, conf. I
160040.6436 1.1553 -6.5269 3 559.5712405 89502 303674424 664521 a-Alanine, conf. I
160057.7812 0.0400 -5.0486 3 90.5675201 89502 30333 330 32 329 a-Alanine, conf. I
160057.7812 0.0400 -4.4789 3 90.5675201 89502 30333 330 32 429 a-Alanine, conf. I
160057.7812 0.0400 -4.4789 3 90.5675201 89502 30333 430 32 329 a-Alanine, conf. I
160057.7812 0.0400 -5.0486 3 90.5675201 89502 30333 430 32 429 a-Alanine, conf. I
160087.2078 0.0414 -5.8394 3 47.5731135 89502 30322 914 21 814 a-Alanine, conf. I
160103.3399 0.2044 -5.1753 3 303.9623291 89502 303483513 483414 a-Alanine, conf. I
160103.3399 0.2044 -6.5337 3 303.9623291 89502 303483513 483415 a-Alanine, conf. I
160103.3399 0.2044 -6.5337 3 303.9623291 89502 303483514 483414 a-Alanine, conf. I
160103.3399 0.2044 -5.1753 3 303.9623291 89502 303483514 483415 a-Alanine, conf. I
160122.4448 0.7372 -5.3067 3 298.5825357 89502 30359 653 59 554 a-Alanine, conf. I
160122.4448 0.7372 -6.5044 3 298.5825357 89502 30359 653 59 654 a-Alanine, conf. I
160122.4448 0.7372 -6.5044 3 298.5825357 89502 30359 753 59 554 a-Alanine, conf. I
160122.4448 0.7372 -5.3067 3 298.5825357 89502 30359 753 59 654 a-Alanine, conf. I
160130.0975 0.0736 -5.2417 3 94.0465177 89502 303291614 281613 a-Alanine, conf. I
160130.3878 0.0736 -5.2417 3 94.0465177 89502 303291613 281612 a-Alanine, conf. I
160146.6148 8.9145 -6.4158 3 1216.3605651 89502 303A84365 A84266 a-Alanine, conf. I
160155.7761 0.9110 -6.0475 3 380.6455345 89502 303573324 563423 a-Alanine, conf. I
160155.7761 0.9110 -6.0475 3 380.6455345 89502 303573325 563422 a-Alanine, conf. I
160158.4132 0.2486 -6.4304 3 113.1662201 89502 303331420 331123 a-Alanine, conf. I
160168.2292 0.7293 -5.2355 3 474.5461387 89502 303643628 643529 a-Alanine, conf. I
160168.2292 0.7293 -5.2355 3 474.5461387 89502 303643629 643530 a-Alanine, conf. I
160263.3322 3.7133 -5.5828 3 713.3616513 89502 303852362 852263 a-Alanine, conf. I
160263.4101 3.7132 -5.5828 3 713.3616513 89502 303852462 852363 a-Alanine, conf. I
160294.8232 0.1908 -5.1858 3 295.2171285 89502 303473512 473413 a-Alanine, conf. I
160294.8232 0.1908 -6.5411 3 295.2171285 89502 303473512 473414 a-Alanine, conf. I
160294.8232 0.1908 -6.5411 3 295.2171285 89502 303473513 473413 a-Alanine, conf. I
160294.8232 0.1908 -5.1858 3 295.2171285 89502 303473513 473414 a-Alanine, conf. I
160414.1998 0.0408 -4.6238 3 87.7372189 89502 30331 625 30 724 a-Alanine, conf. I
160414.7382 0.0408 -5.0881 3 87.7372189 89502 30331 725 30 724 a-Alanine, conf. I
160415.5360 0.0408 -5.0881 3 87.7372189 89502 30331 625 30 624 a-Alanine, conf. I
160416.0744 0.0408 -4.6238 3 87.7372189 89502 30331 725 30 624 a-Alanine, conf. I
160421.0571 1.8290 -5.3559 3 539.2784453 89502 303751758 751659 a-Alanine, conf. I
160421.0572 1.8290 -5.3559 3 539.2784453 89502 303751858 751759 a-Alanine, conf. I
160432.0713 3.2509 -6.5104 3 387.6977375 89502 303621943 612240 a-Alanine, conf. I
160473.9182 0.1808 -5.1992 3 286.6578279 89502 303463511 463412 a-Alanine, conf. I
160473.9182 0.1808 -5.1992 3 286.6578279 89502 303463512 463413 a-Alanine, conf. I
160478.3671 0.8350 -5.2512 3 397.8826399 89502 303661155 661056 a-Alanine, conf. I
160478.3671 0.8350 -6.4852 3 397.8826399 89502 303661155 661156 a-Alanine, conf. I
160478.3671 0.8350 -6.4852 3 397.8826399 89502 303661255 661056 a-Alanine, conf. I
160478.3671 0.8350 -5.2512 3 397.8826399 89502 303661255 661156 a-Alanine, conf. I
160484.0905 0.0070 -5.7861 3 40.0221105 89502 3031715 2 1614 2 a-Alanine, conf. I
160484.0830 0.0300 -4.6468 3 40.0221105 -89502 3031715 2 1614 3 a-Alanine, conf. I
160484.0830 0.0300 -4.6468 3 40.0221105 -89502 3031715 3 1614 2 a-Alanine, conf. I
160484.0905 0.0070 -5.7861 3 40.0221105 89502 3031715 3 1614 3 a-Alanine, conf. I
160485.1874 2.0184 -5.5538 3 713.6623489 89502 303813843 813744 a-Alanine, conf. I
160485.2251 2.0183 -5.5538 3 713.6623489 89502 303813844 813745 a-Alanine, conf. I
160513.2281 8.1640 -6.4138 3 1216.3460651 89502 303A84366 A84267 a-Alanine, conf. I
160537.2472 12.1686 -6.3193 3 1157.8090645 89502 303A73473 A73374 a-Alanine, conf. I
160599.3836 0.0542 -5.9177 3 44.9717135 89502 30322 716 21 616 a-Alanine, conf. I
160616.5211 0.6786 -5.2231 3 462.8053381 89502 303633627 633528 a-Alanine, conf. I
160616.5211 0.6786 -5.2231 3 462.8053381 89502 303633628 633529 a-Alanine, conf. I
160619.9106 0.9368 -6.0849 3 396.3359351 89502 303583424 573523 a-Alanine, conf. I
160619.9106 0.9368 -6.0849 3 396.3359351 89502 303583425 573522 a-Alanine, conf. I
160641.2157 0.1744 -5.2158 3 278.2841273 89502 303453510 453411 a-Alanine, conf. I
160641.2157 0.1744 -5.2158 3 278.2841273 89502 303453511 453412 a-Alanine, conf. I
160673.3019 0.9880 -5.6376 3 232.1816327 89502 30354 252 54 153 a-Alanine, conf. I
160673.3019 0.9880 -5.6376 3 232.1816327 89502 30354 352 54 253 a-Alanine, conf. I
160680.1429 0.7452 -5.3125 3 110.4988201 89502 303331221 321320 a-Alanine, conf. I
160686.6420 0.0835 -5.2115 3 91.7258177 89502 303291515 281514 a-Alanine, conf. I
160690.7050 0.0837 -5.2114 3 91.7259177 89502 303291514 281513 a-Alanine, conf. I
160703.6514 1.2764 -5.3788 3 593.9872441 89502 303733736 733637 a-Alanine, conf. I
160703.6517 1.2764 -5.3788 3 593.9872441 89502 303733737 733638 a-Alanine, conf. I
160759.4402 3.8597 -5.8868 3 918.7125561 89502 303934053 933954 a-Alanine, conf. I
160763.4497 11.7441 -6.3181 3 1157.8103645 89502 303A73573 A73474 a-Alanine, conf. I
160765.3620 3.8507 -5.8868 3 918.7123561 89502 303934054 933955 a-Alanine, conf. I
160767.4118 1.4086 -5.3069 3 490.1682435 89502 303721557 721458 a-Alanine, conf. I
160767.4118 1.4086 -5.3069 3 490.1682435 89502 303721657 721558 a-Alanine, conf. I
160775.7953 1.0744 -5.2712 3 443.0300417 89502 303691356 691257 a-Alanine, conf. I
160775.7953 1.0744 -6.5208 3 443.0300417 89502 303691356 691357 a-Alanine, conf. I
160775.7953 1.0744 -6.5208 3 443.0300417 89502 303691456 691257 a-Alanine, conf. I
160775.7953 1.0744 -5.2712 3 443.0300417 89502 303691456 691357 a-Alanine, conf. I
160775.9133 0.6936 -5.9354 3 260.9561303 89502 303502030 501733 a-Alanine, conf. I
160797.2833 0.1719 -5.2364 3 270.0958267 89502 3034435 9 443410 a-Alanine, conf. I
160797.2833 0.1719 -5.2364 3 270.0958267 89502 303443510 443411 a-Alanine, conf. I
160812.2510 2.6477 -5.4568 3 623.6470483 89502 303802060 801961 a-Alanine, conf. I
160812.2538 2.6477 -5.4568 3 623.6470483 89502 303802160 802061 a-Alanine, conf. I
160926.8657 1.3612 -6.3203 3 153.1982231 89502 303381721 381424 a-Alanine, conf. I
160942.6663 0.1728 -5.2616 3 262.0927261 89502 3034335 8 4334 9 a-Alanine, conf. I
160942.6663 0.1728 -5.2616 3 262.0927261 89502 3034335 9 433410 a-Alanine, conf. I
160960.8893 0.0501 -5.1201 3 82.8165177 89502 303291020 281019 a-Alanine, conf. I
160970.1271 4.1541 -5.6349 3 749.6364525 89502 303872463 872364 a-Alanine, conf. I
160970.3007 4.1539 -5.6349 3 749.6364525 89502 303872563 872464 a-Alanine, conf. I
160971.3963 1.0025 -5.4608 3 149.1885231 89502 303381523 371622 a-Alanine, conf. I
161003.1335 0.0170 -5.8160 3 48.9173135 89502 303221012 21 912 a-Alanine, conf. I
161015.0048 2.7874 -5.7092 3 812.7460525 89502 303873948 873849 a-Alanine, conf. I
161015.5411 2.7866 -5.7092 3 812.7460525 89502 303873949 873850 a-Alanine, conf. I
161017.3700 6.5957 -6.2244 3 1112.3684621 89502 303A34261 A34162 a-Alanine, conf. I
161040.8971 0.6305 -5.2117 3 451.2543375 89502 303623626 623527 a-Alanine, conf. I
161040.8971 0.6305 -5.2117 3 451.2543375 89502 303623627 623528 a-Alanine, conf. I
161077.8898 0.1769 -5.2924 3 254.2745255 89502 3034235 7 4234 8 a-Alanine, conf. I
161077.8898 0.1769 -5.2924 3 254.2745255 89502 3034235 8 4234 9 a-Alanine, conf. I
161078.8850 0.7058 -5.2624 3 339.0065375 89502 30362 854 62 755 a-Alanine, conf. I
161078.8850 0.7058 -6.4739 3 339.0065375 89502 30362 854 62 855 a-Alanine, conf. I
161078.8850 0.7058 -6.4739 3 339.0065375 89502 30362 954 62 755 a-Alanine, conf. I
161078.8850 0.7058 -5.2624 3 339.0065375 89502 30362 954 62 855 a-Alanine, conf. I
161098.8631 0.9634 -6.1229 3 412.3636357 89502 303593524 583623 a-Alanine, conf. I
161098.8631 0.9634 -6.1229 3 412.3636357 89502 303593525 583622 a-Alanine, conf. I
161120.3062 1.4242 -5.8151 3 187.3627261 89502 303431529 421626 a-Alanine, conf. I
161120.8258 0.8020 -5.3486 3 283.7557351 89502 30358 553 58 454 a-Alanine, conf. I
161120.8258 0.8020 -6.5393 3 283.7557351 89502 30358 553 58 554 a-Alanine, conf. I
161120.8258 0.8020 -6.5393 3 283.7557351 89502 30358 653 58 454 a-Alanine, conf. I
161120.8258 0.8020 -5.3486 3 283.7557351 89502 30358 653 58 554 a-Alanine, conf. I
161121.6239 6.3997 -6.2238 3 1112.3643621 89502 303A34262 A34163 a-Alanine, conf. I
161170.0820 5.0152 -6.0483 3 1013.1513591 89502 303984157 984058 a-Alanine, conf. I
161196.4749 4.9702 -6.0481 3 1013.1503591 89502 303984158 984059 a-Alanine, conf. I
161203.4593 0.1836 -5.3304 3 246.6411249 89502 3034135 6 4134 7 a-Alanine, conf. I
161203.4593 0.1836 -5.3304 3 246.6411249 89502 3034135 7 4134 8 a-Alanine, conf. I
161204.5970 0.0300 -4.6863 3 41.0177111 -89502 3031814 5 1713 4 a-Alanine, conf. I
161204.6084 0.0065 -5.7970 3 41.0177111 89502 3031814 4 1713 4 a-Alanine, conf. I
161204.5970 0.0300 -4.6863 3 41.0177111 -89502 3031814 4 1713 5 a-Alanine, conf. I
161204.6086 0.0065 -5.7970 3 41.0177111 89502 3031814 5 1713 5 a-Alanine, conf. I
161319.8617 0.1924 -5.3775 3 239.1922243 89502 3034035 5 4034 6 a-Alanine, conf. I
161319.8617 0.1924 -5.3775 3 239.1922243 89502 3034035 6 4034 7 a-Alanine, conf. I
161324.1779 0.7069 -6.5328 3 125.0187213 89502 303351322 341420 a-Alanine, conf. I
161355.5487 1.1964 -5.3591 3 580.5437435 89502 303723735 723636 a-Alanine, conf. I
161355.5488 1.1964 -5.3591 3 580.5437435 89502 303723736 723637 a-Alanine, conf. I
161371.8330 1.8930 -5.5281 3 698.6937483 89502 303803842 803743 a-Alanine, conf. I
161371.8489 1.8929 -5.5281 3 698.6937483 89502 303803843 803744 a-Alanine, conf. I
161398.9311 0.0949 -5.1832 3 89.5915177 89502 303291416 281415 a-Alanine, conf. I
161403.0265 10.8444 -6.2371 3 1113.3313633 89502 303A53372 A53273 a-Alanine, conf. I
161424.3623 0.8436 -5.5012 3 175.7367249 89502 303411724 401823 a-Alanine, conf. I
161427.5671 0.2029 -5.4371 3 231.9276237 89502 3033935 4 3934 5 a-Alanine, conf. I
161427.5671 0.2029 -5.4371 3 231.9276237 89502 3033935 5 3934 6 a-Alanine, conf. I
161432.4309 0.1918 -5.5375 3 163.7549243 89502 303401526 391623 a-Alanine, conf. I
161442.5114 0.5850 -5.2013 3 439.8929369 89502 303613625 613526 a-Alanine, conf. I
161442.5114 0.5850 -5.2013 3 439.8929369 89502 303613626 613527 a-Alanine, conf. I
161443.7617 0.0974 -5.1829 3 89.5925177 89502 303291415 281414 a-Alanine, conf. I
161471.5280 1.0742 -5.9042 3 218.5093321 89502 30353 152 53 053 a-Alanine, conf. I
161471.5280 1.0742 -5.9042 3 218.5093321 89502 30353 252 53 153 a-Alanine, conf. I
161480.8335 0.0478 -5.0257 3 92.8554207 89502 30334 232 33 231 a-Alanine, conf. I
161480.8335 0.0478 -4.4315 3 92.8554207 89502 30334 232 33 331 a-Alanine, conf. I
161480.8335 0.0478 -4.4315 3 92.8554207 89502 30334 332 33 231 a-Alanine, conf. I
161480.8335 0.0478 -5.0257 3 92.8554207 89502 30334 332 33 331 a-Alanine, conf. I
161520.9093 10.6309 -6.2365 3 1113.3320633 89502 303A53472 A53373 a-Alanine, conf. I
161527.0285 0.2145 -5.5146 3 224.8472231 89502 3033835 3 3834 4 a-Alanine, conf. I
161527.0285 0.2145 -5.5146 3 224.8472231 89502 3033835 4 3834 5 a-Alanine, conf. I
161567.7739 4.6362 -5.6900 3 786.7472537 89502 303892564 892465 a-Alanine, conf. I
161568.1543 4.6358 -5.6900 3 786.7472537 89502 303892664 892565 a-Alanine, conf. I
161589.0602 0.1749 -5.1297 3 79.2942171 89502 303281117 271116 a-Alanine, conf. I
161590.7837 0.9907 -6.1615 3 428.7283363 89502 303603624 593723 a-Alanine, conf. I
161590.7837 0.9907 -6.1615 3 428.7283363 89502 303603625 593722 a-Alanine, conf. I
161618.6837 0.2269 -5.6203 3 217.9508225 89502 3033735 2 3734 3 a-Alanine, conf. I
161618.6837 0.2269 -5.6203 3 217.9508225 89502 3033735 3 3734 4 a-Alanine, conf. I
161702.9551 0.2398 -5.7774 3 211.2381219 89502 3033635 1 3634 2 a-Alanine, conf. I
161702.9551 0.2398 -5.7774 3 211.2381219 89502 3033635 2 3634 3 a-Alanine, conf. I
161720.0424 2.0903 -5.3902 3 571.2869465 89502 303771859 771760 a-Alanine, conf. I
161720.0426 2.0903 -5.3902 3 571.2869465 89502 303771959 771860 a-Alanine, conf. I
161738.3246 0.9505 -5.9205 3 270.6526309 89502 303512031 511734 a-Alanine, conf. I
161762.0804 0.0412 -4.5573 3 90.6617195 89502 30332 527 31 626 a-Alanine, conf. I
161762.0905 0.0412 -5.0663 3 90.6617195 89502 30332 627 31 626 a-Alanine, conf. I
161762.1071 0.0412 -5.0663 3 90.6617195 89502 30332 527 31 526 a-Alanine, conf. I
161762.1172 0.0412 -4.5573 3 90.6617195 89502 30332 627 31 526 a-Alanine, conf. I
161780.2510 0.2531 -6.0595 3 204.7089213 89502 3033535 0 3534 1 a-Alanine, conf. I
161780.2510 0.2531 -6.0595 3 204.7089213 89502 3033535 1 3534 2 a-Alanine, conf. I
161789.9928 0.7729 -5.2510 3 381.4638393 89502 303651055 65 956 a-Alanine, conf. I
161789.9928 0.7729 -6.4769 3 381.4638393 89502 303651055 651056 a-Alanine, conf. I
161789.9928 0.7729 -6.4769 3 381.4638393 89502 303651155 65 956 a-Alanine, conf. I
161789.9928 0.7729 -5.2510 3 381.4638393 89502 303651155 651056 a-Alanine, conf. I
161822.4481 0.5417 -5.1920 3 428.7206363 89502 303603624 603525 a-Alanine, conf. I
161822.4481 0.5417 -5.1920 3 428.7206363 89502 303603625 603526 a-Alanine, conf. I
161839.0968 2.9880 -5.5004 3 657.8011495 89502 303822161 822062 a-Alanine, conf. I
161839.1035 2.9880 -5.5004 3 657.8011495 89502 303822261 822162 a-Alanine, conf. I
161876.6560 0.0300 -4.7310 3 42.3764117 -89502 3031913 7 1812 6 a-Alanine, conf. I
161876.6233 0.0082 -5.8052 3 42.3764117 89502 3031913 6 1812 6 a-Alanine, conf. I
161876.6657 0.0082 -5.8052 3 42.3764117 89502 3031913 7 1812 7 a-Alanine, conf. I
161876.6560 0.0300 -4.7310 3 42.3764117 -89502 3031913 6 1812 7 a-Alanine, conf. I
161973.9265 1.1211 -5.3401 3 567.2926429 89502 303713734 713635 a-Alanine, conf. I
161973.9265 1.1211 -5.3401 3 567.2926429 89502 303713735 713636 a-Alanine, conf. I
162025.3012 9.7156 -6.1582 3 1069.6558621 89502 303A33271 A33172 a-Alanine, conf. I
162050.1282 5.1641 -5.7481 3 824.6910549 89502 303912665 912566 a-Alanine, conf. I
162050.9484 5.1630 -5.7481 3 824.6910549 89502 303912765 912666 a-Alanine, conf. I
162066.0465 0.8782 -5.4089 3 269.1515345 89502 30357 453 57 354 a-Alanine, conf. I
162066.0465 0.8782 -5.4089 3 269.1515345 89502 30357 553 57 454 a-Alanine, conf. I
162081.9927 3.5976 -5.8527 3 901.4502555 89502 303924052 923953 a-Alanine, conf. I
162084.8380 3.5933 -5.8527 3 901.4501555 89502 303924053 923954 a-Alanine, conf. I
162085.8224 9.6101 -6.1579 3 1069.6561621 89502 303A33371 A33272 a-Alanine, conf. I
162094.0838 1.0188 -6.2006 3 445.4301369 89502 303613724 603823 a-Alanine, conf. I
162094.0838 1.0188 -6.2006 3 445.4301369 89502 303613725 603822 a-Alanine, conf. I
162096.1833 2.6097 -5.6793 3 796.6335519 89502 303863947 863848 a-Alanine, conf. I
162096.4249 2.6094 -5.6793 3 796.6335519 89502 303863948 863849 a-Alanine, conf. I
162128.4712 0.0436 -5.9742 3 43.4537135 89502 30322 517 21 417 a-Alanine, conf. I
162134.8576 2.2815 -6.2463 3 172.4196249 89502 303411526 411229 a-Alanine, conf. I
162181.7275 0.5008 -5.1838 3 417.7373357 89502 303593623 593524 a-Alanine, conf. I
162181.7275 0.5008 -5.1838 3 417.7373357 89502 303593624 593525 a-Alanine, conf. I
162193.2694 0.7345 -5.2813 3 323.4862369 89502 30361 754 61 655 a-Alanine, conf. I
162193.2694 0.7345 -6.4854 3 323.4862369 89502 30361 754 61 755 a-Alanine, conf. I
162193.2694 0.7345 -6.4854 3 323.4862369 89502 30361 854 61 655 a-Alanine, conf. I
162193.2694 0.7345 -5.2813 3 323.4862369 89502 30361 854 61 755 a-Alanine, conf. I
162207.6093 0.0421 -5.9738 3 43.4542135 89502 30322 617 21 517 a-Alanine, conf. I
162212.2856 1.7764 -5.5032 3 683.9202477 89502 303793841 793742 a-Alanine, conf. I
162212.2921 1.7764 -5.5032 3 683.9202477 89502 303793842 793743 a-Alanine, conf. I
162232.3311 1.6244 -5.3346 3 520.8684447 89502 303741658 741559 a-Alanine, conf. I
162232.3311 1.6244 -5.3346 3 520.8684447 89502 303741758 741659 a-Alanine, conf. I
162235.7813 0.9565 -5.2625 3 425.9381411 89502 303681256 681157 a-Alanine, conf. I
162235.7813 0.9565 -6.5034 3 425.9381411 89502 303681256 681257 a-Alanine, conf. I
162235.7813 0.9565 -6.5034 3 425.9381411 89502 303681356 681157 a-Alanine, conf. I
162235.7813 0.9565 -5.2625 3 425.9381411 89502 303681356 681257 a-Alanine, conf. I
162248.0522 2.6912 -6.4619 3 376.2046369 89502 303611942 602239 a-Alanine, conf. I
162262.3101 0.1049 -5.1567 3 87.6539177 89502 303291317 281316 a-Alanine, conf. I
162278.8240 0.0444 -4.7641 3 86.4761183 89502 30330 822 29 921 a-Alanine, conf. I
162303.7838 15.2401 -6.5144 3 1269.7285675 89502 303B23676 B23577 a-Alanine, conf. I
162309.7893 8.0249 -6.3702 3 1196.2237645 89502 303A74364 A74265 a-Alanine, conf. I
162392.6701 1.2450 -5.2914 3 472.4123429 89502 303711457 711358 a-Alanine, conf. I
162392.6701 1.2450 -5.2914 3 472.4123429 89502 303711557 711458 a-Alanine, conf. I
162410.1522 5.7431 -5.8091 3 863.4646561 89502 303932766 932667 a-Alanine, conf. I
162411.8937 5.7407 -5.8091 3 863.4646561 89502 303932866 932767 a-Alanine, conf. I
162430.8740 0.0300 -4.7849 3 44.1128123 -89502 3032012 9 1911 8 a-Alanine, conf. I
162431.6810 0.0103 -5.8103 3 44.1128123 89502 3032012 8 1911 8 a-Alanine, conf. I
162435.2876 0.0103 -5.8103 3 44.1127123 89502 3032012 9 1911 9 a-Alanine, conf. I
162436.1360 0.0300 -4.7849 3 44.1127123 -89502 3032012 8 1911 9 a-Alanine, conf. I
162438.3323 8.7319 -6.0825 3 1026.7871609 89502 303A13170 A13071 a-Alanine, conf. I
162455.2483 1.2518 -6.4089 3 353.7391357 89502 303591940 582237 a-Alanine, conf. I
162468.9572 8.6807 -6.0823 3 1026.7873609 89502 303A13270 A13171 a-Alanine, conf. I
162491.8587 0.0419 -5.0994 3 86.4761183 89502 30330 922 29 921 a-Alanine, conf. I
162510.5451 7.6140 -6.3692 3 1196.2158645 89502 303A74365 A74266 a-Alanine, conf. I
162521.3122 0.4620 -5.1767 3 406.9424351 89502 303583622 583523 a-Alanine, conf. I
162521.3122 0.4620 -5.1767 3 406.9424351 89502 303583623 583524 a-Alanine, conf. I
162560.5884 1.0500 -5.3220 3 554.2335423 89502 303703733 703634 a-Alanine, conf. I
162560.5885 1.0500 -5.3220 3 554.2335423 89502 303703734 703635 a-Alanine, conf. I
162567.9779 0.0677 -5.0025 3 53.1237141 89502 303231014 22 913 a-Alanine, conf. I
162591.0426 0.0120 -4.8573 3 46.2568129 89502 303211111 201010 a-Alanine, conf. I
162607.3911 1.0478 -6.2403 3 462.4686375 89502 303623824 613923 a-Alanine, conf. I
162607.3911 1.0478 -6.2403 3 462.4686375 89502 303623825 613922 a-Alanine, conf. I
162633.5043 0.0122 -5.8128 3 46.2568129 89502 303211110 201010 a-Alanine, conf. I
162635.6165 0.1228 -5.1547 3 87.6635177 89502 303291316 281315 a-Alanine, conf. I
162639.6825 6.3797 -5.8731 3 903.0646573 89502 303952867 952768 a-Alanine, conf. I
162643.3263 6.3744 -5.8731 3 903.0646573 89502 303952967 952868 a-Alanine, conf. I
162666.7721 7.8612 -6.0097 3 984.7296597 89502 303993069 992970 a-Alanine, conf. I
162682.0499 7.8368 -6.0096 3 984.7297597 89502 303993169 993070 a-Alanine, conf. I
162702.8982 0.9146 -6.4930 3 123.5951207 89502 303341618 341321 a-Alanine, conf. I
162704.9258 4.6491 -6.0107 3 994.9347585 89502 303974156 974057 a-Alanine, conf. I
162718.1833 4.6266 -6.0106 3 994.9342585 89502 303974157 974058 a-Alanine, conf. I
162726.7559 0.0418 -5.0980 3 86.4611183 89502 30330 822 29 821 a-Alanine, conf. I
162729.0914 7.0821 -5.9399 3 943.4875585 89502 303972968 972869 a-Alanine, conf. I
162736.6060 7.0706 -5.9399 3 943.4875585 89502 303973068 972969 a-Alanine, conf. I
162759.8702 0.0783 -5.1203 3 84.3409177 89502 303291119 281118 a-Alanine, conf. I
162761.4257 14.2814 -6.5120 3 1269.7314675 89502 303B23776 B23677 a-Alanine, conf. I
162773.6398 3.3599 -5.5471 3 692.8000507 89502 303842262 842163 a-Alanine, conf. I
162773.6556 3.3598 -5.5471 3 692.8000507 89502 303842362 842263 a-Alanine, conf. I
162775.0777 0.0131 -5.8121 3 46.2507129 89502 303211111 201011 a-Alanine, conf. I
162817.5394 0.0136 -4.8564 3 46.2507129 89502 303211110 201011 a-Alanine, conf. I
162817.8373 6.0520 -6.1831 3 1093.1942615 89502 303A24260 A24161 a-Alanine, conf. I
162842.1121 0.4254 -5.1709 3 396.3359345 89502 303573621 573522 a-Alanine, conf. I
162842.1121 0.4254 -5.1709 3 396.3359345 89502 303573622 573523 a-Alanine, conf. I
162872.5193 5.9498 -6.1828 3 1093.1921615 89502 303A24261 A24162 a-Alanine, conf. I
162902.5443 0.0644 -5.0030 3 94.9575213 89502 30335 134 34 133 a-Alanine, conf. I
162902.5443 0.0644 -4.3882 3 94.9575213 89502 30335 134 34 233 a-Alanine, conf. I
162902.5443 0.0644 -4.3882 3 94.9575213 89502 30335 234 34 133 a-Alanine, conf. I
162902.5443 0.0644 -5.0030 3 94.9575213 89502 30335 234 34 233 a-Alanine, conf. I
162938.1828 2.3774 -5.4280 3 604.1480477 89502 303791960 791861 a-Alanine, conf. I
162938.1833 2.3774 -5.4280 3 604.1480477 89502 303792060 791961 a-Alanine, conf. I
162939.7905 0.0437 -4.7601 3 86.4611183 89502 30330 922 29 821 a-Alanine, conf. I
162961.1925 0.9615 -5.4978 3 254.7714339 89502 30356 353 56 254 a-Alanine, conf. I
162961.1925 0.9615 -5.4978 3 254.7714339 89502 30356 453 56 354 a-Alanine, conf. I
162983.9440 0.1025 -5.1339 3 85.9163177 89502 303291218 281217 a-Alanine, conf. I
163009.4411 1.6676 -5.4792 3 669.3414471 89502 303783840 783741 a-Alanine, conf. I
163009.4438 1.6676 -5.4792 3 669.3414471 89502 303783841 783742 a-Alanine, conf. I
163031.1711 0.7441 -5.2560 3 365.2577387 89502 30364 955 64 856 a-Alanine, conf. I
163031.1711 0.7441 -6.4740 3 365.2577387 89502 30364 955 64 956 a-Alanine, conf. I
163031.1711 0.7441 -6.4740 3 365.2577387 89502 303641055 64 856 a-Alanine, conf. I
163031.1711 0.7441 -5.2560 3 365.2577387 89502 303641055 64 956 a-Alanine, conf. I
163053.3191 2.0081 -6.4258 3 364.8823363 89502 303601941 592238 a-Alanine, conf. I
163117.1989 0.9829 -5.3048 3 541.3660417 89502 303693732 693633 a-Alanine, conf. I
163117.1989 0.9829 -5.3048 3 541.3660417 89502 303693733 693634 a-Alanine, conf. I
163119.4204 2.4463 -5.6503 3 780.7182513 89502 303853946 853847 a-Alanine, conf. I
163119.5273 2.4462 -5.6503 3 780.7182513 89502 303853947 853848 a-Alanine, conf. I
163120.1765 0.0959 -6.3424 3 144.7121183 89502 3033029 1 2929 0 a-Alanine, conf. I
163120.1765 0.0959 -6.3424 3 144.7121183 89502 3033029 2 2929 1 a-Alanine, conf. I
163129.5129 1.0776 -6.2805 3 479.8437381 89502 303633924 624023 a-Alanine, conf. I
163129.5129 1.0776 -6.2805 3 479.8437381 89502 303633925 624022 a-Alanine, conf. I
163144.9890 0.3910 -5.1663 3 385.9173339 89502 303563620 563521 a-Alanine, conf. I
163144.9890 0.3910 -5.1663 3 385.9173339 89502 303563621 563522 a-Alanine, conf. I
163157.2802 0.0414 -4.5003 3 93.3816201 89502 30333 429 32 528 a-Alanine, conf. I
163157.2803 0.0414 -5.0442 3 93.3816201 89502 30333 529 32 528 a-Alanine, conf. I
163157.2806 0.0414 -5.0442 3 93.3816201 89502 30333 429 32 428 a-Alanine, conf. I
163157.2807 0.0414 -4.5003 3 93.3816201 89502 30333 529 32 428 a-Alanine, conf. I
163162.0403 0.0193 -6.1231 3 27.6121105 89502 30317 810 16 511 a-Alanine, conf. I
163199.9371 0.1030 -5.1034 3 78.2621171 89502 303281018 271017 a-Alanine, conf. I
163202.0054 0.0854 -6.0390 3 140.2541183 89502 3033028 2 2928 1 a-Alanine, conf. I
163202.0054 0.0854 -6.0390 3 140.2541183 89502 3033028 3 2928 2 a-Alanine, conf. I
163248.6912 0.7864 -5.3100 3 308.1847363 89502 30360 654 60 555 a-Alanine, conf. I
163248.6912 0.7864 -6.5068 3 308.1847363 89502 30360 654 60 655 a-Alanine, conf. I
163248.6912 0.7864 -6.5068 3 308.1847363 89502 30360 754 60 555 a-Alanine, conf. I
163248.6912 0.7864 -5.3100 3 308.1847363 89502 30360 754 60 655 a-Alanine, conf. I
163279.3312 0.3258 -6.4375 3 117.0179207 89502 303341222 331320 a-Alanine, conf. I
163291.5463 0.0233 -5.8091 3 48.8048135 89502 303221013 21 913 a-Alanine, conf. I
163293.8428 0.0757 -5.8611 3 135.9553183 89502 3033027 3 2927 2 a-Alanine, conf. I
163293.8428 0.0757 -5.8611 3 135.9553183 89502 3033027 4 2927 3 a-Alanine, conf. I
163329.0715 3.3607 -5.8195 3 884.3876549 89502 303914051 913952 a-Alanine, conf. I
163330.4151 3.3587 -5.8195 3 884.3876549 89502 303914052 913953 a-Alanine, conf. I
163363.2091 0.0419 -5.1035 3 82.6302177 89502 30329 920 28 919 a-Alanine, conf. I
163388.9533 9.8118 -6.5246 3 1283.1275669 89502 303B14467 B14368 a-Alanine, conf. I
163397.2912 0.0672 -5.7346 3 131.8162183 89502 3033026 4 2926 3 a-Alanine, conf. I
163397.2912 0.0672 -5.7346 3 131.8162183 89502 3033026 5 2926 4 a-Alanine, conf. I
163430.7606 0.3587 -5.1631 3 375.6864333 89502 303553619 553520 a-Alanine, conf. I
163430.7606 0.3587 -5.1631 3 375.6864333 89502 303553620 553521 a-Alanine, conf. I
163514.3036 0.0602 -5.6366 3 127.8370183 89502 3033025 5 2925 4 a-Alanine, conf. I
163514.3036 0.0602 -5.6366 3 127.8370183 89502 3033025 6 2925 5 a-Alanine, conf. I
163539.2889 0.0346 -6.1791 3 24.3442105 89502 30317 413 16 314 a-Alanine, conf. I
163584.1780 0.0320 -6.0491 3 41.7837135 89502 30322 418 21 318 a-Alanine, conf. I
163589.7403 0.0320 -6.0490 3 41.7838135 89502 30322 518 21 418 a-Alanine, conf. I
163597.9641 13.4721 -6.4253 3 1223.2506663 89502 303B03575 B03476 a-Alanine, conf. I
163611.8595 3.7658 -5.5970 3 728.6410519 89502 303862363 862264 a-Alanine, conf. I
163611.8957 3.7658 -5.5970 3 728.6410519 89502 303862463 862364 a-Alanine, conf. I
163616.3682 0.8665 -5.2576 3 409.0544405 89502 303671156 671057 a-Alanine, conf. I
163616.3682 0.8665 -6.4902 3 409.0544405 89502 303671156 671157 a-Alanine, conf. I
163616.3682 0.8665 -6.4902 3 409.0544405 89502 303671256 671057 a-Alanine, conf. I
163616.3682 0.8665 -5.2576 3 409.0544405 89502 303671256 671157 a-Alanine, conf. I
163622.5868 1.8640 -5.3662 3 552.4260459 89502 303761759 761660 a-Alanine, conf. I
163622.5869 1.8640 -5.3662 3 552.4260459 89502 303761859 761760 a-Alanine, conf. I
163636.8344 0.0432 -4.6633 3 89.9016189 89502 30331 724 30 823 a-Alanine, conf. I
163645.1559 0.0432 -5.0806 3 89.9016189 89502 30331 824 30 823 a-Alanine, conf. I
163645.2984 0.9195 -5.2885 3 528.6896411 89502 303683731 683632 a-Alanine, conf. I
163645.2985 0.9195 -5.2885 3 528.6896411 89502 303683732 683633 a-Alanine, conf. I
163647.2850 0.0549 -5.5568 3 124.0185183 89502 3033024 6 2924 5 a-Alanine, conf. I
163647.2850 0.0549 -5.5568 3 124.0185183 89502 3033024 7 2924 6 a-Alanine, conf. I
163656.2253 0.0433 -5.0805 3 89.9009189 89502 30331 724 30 723 a-Alanine, conf. I
163659.4078 1.1084 -6.3213 3 497.5554387 89502 303644024 634123 a-Alanine, conf. I
163659.4078 1.1084 -6.3213 3 497.5554387 89502 303644025 634122 a-Alanine, conf. I
163664.5468 0.0433 -4.6631 3 89.9009189 89502 30331 824 30 723 a-Alanine, conf. I
163700.2046 0.3286 -5.1613 3 365.6429327 89502 303543618 543519 a-Alanine, conf. I
163700.2046 0.3286 -5.1613 3 365.6429327 89502 303543619 543520 a-Alanine, conf. I
163700.3849 0.7930 -5.6903 3 263.4961297 89502 303492426 482523 a-Alanine, conf. I
163700.7934 0.7932 -5.6903 3 263.4961297 89502 303492425 482524 a-Alanine, conf. I
163716.2534 0.7782 -5.6570 3 251.0197291 89502 303482326 472423 a-Alanine, conf. I
163718.0890 0.7787 -5.6570 3 251.0197291 89502 303482325 472424 a-Alanine, conf. I
163758.3316 8.9919 -6.5226 3 1283.1128669 89502 303B14468 B14369 a-Alanine, conf. I
163765.9161 1.5660 -5.4560 3 654.9565465 89502 303773839 773740 a-Alanine, conf. I
163765.9172 1.5660 -5.4560 3 654.9565465 89502 303773840 773741 a-Alanine, conf. I
163775.2765 0.8100 -5.7240 3 276.3137303 89502 303502526 492623 a-Alanine, conf. I
163775.3637 0.8101 -5.7240 3 276.3137303 89502 303502525 492624 a-Alanine, conf. I
163795.6245 0.8914 -5.6817 3 179.2447255 89502 303421528 411625 a-Alanine, conf. I
163799.2313 0.0517 -5.4895 3 120.3612183 89502 3033023 7 2923 6 a-Alanine, conf. I
163799.2313 0.0517 -5.4895 3 120.3612183 89502 3033023 8 2923 7 a-Alanine, conf. I
163809.0805 1.0488 -5.6385 3 240.6173333 89502 30355 253 55 154 a-Alanine, conf. I
163809.0805 1.0488 -5.6385 3 240.6173333 89502 30355 353 55 254 a-Alanine, conf. I
163815.9972 0.4427 -5.5881 3 171.3759249 89502 303411527 401624 a-Alanine, conf. I
163839.4463 12.9811 -6.4240 3 1223.2520663 89502 303B03675 B03576 a-Alanine, conf. I
163845.1886 0.7660 -5.6240 3 238.8855285 89502 303472226 462323 a-Alanine, conf. I
163853.0697 0.7678 -5.6239 3 238.8855285 89502 303472225 462324 a-Alanine, conf. I
163923.7187 0.8288 -5.7581 3 289.4720309 89502 303512626 502723 a-Alanine, conf. I
163923.7366 0.8288 -5.7580 3 289.4720309 89502 303512625 502724 a-Alanine, conf. I
163927.6613 1.1034 -5.2790 3 454.8599423 89502 303701357 701258 a-Alanine, conf. I
163927.6613 1.1034 -5.2790 3 454.8599423 89502 303701457 701358 a-Alanine, conf. I
163931.6545 1.6907 -5.9869 3 251.3675297 89502 303492029 491732 a-Alanine, conf. I
163939.8813 1.4393 -5.3160 3 502.6566441 89502 303731558 731459 a-Alanine, conf. I
163939.8813 1.4393 -5.3160 3 502.6566441 89502 303731658 731559 a-Alanine, conf. I
163954.0611 0.3008 -5.1612 3 355.7865321 89502 303533617 533518 a-Alanine, conf. I
163954.0611 0.3008 -5.1612 3 355.7865321 89502 303533618 533519 a-Alanine, conf. I
163967.2257 0.1053 -4.8649 3 88.1855183 89502 30330 921 291020 a-Alanine, conf. I
163973.9249 0.0509 -5.4316 3 116.8661183 89502 3033022 8 2922 7 a-Alanine, conf. I
163973.9249 0.0509 -5.4316 3 116.8661183 89502 3033022 9 2922 8 a-Alanine, conf. I
163987.1682 0.0310 -6.1776 3 24.3441105 89502 30317 513 16 214 a-Alanine, conf. I
164035.5526 0.0913 -5.7523 3 56.7476147 89502 30324 915 23 815 a-Alanine, conf. I
164072.6494 2.6918 -5.4692 3 637.8593489 89502 303812061 811962 a-Alanine, conf. I
164072.6506 2.6918 -5.4692 3 637.8593489 89502 303812161 812062 a-Alanine, conf. I
164088.8464 2.2955 -5.6222 3 764.9994507 89502 303843945 843846 a-Alanine, conf. I
164088.8928 2.2954 -5.6222 3 764.9994507 89502 303843946 843847 a-Alanine, conf. I
164093.6765 0.1059 -5.0234 3 57.5610147 89502 303241015 23 914 a-Alanine, conf. I
164114.4486 0.7563 -5.5913 3 227.0946279 89502 303462126 452223 a-Alanine, conf. I
164132.5097 0.8491 -5.7925 3 302.9702315 89502 303522726 512823 a-Alanine, conf. I
164132.5132 0.8491 -5.7925 3 302.9702315 89502 303522725 512824 a-Alanine, conf. I
164145.6760 4.3251 -5.9741 3 976.9199579 89502 303964155 964056 a-Alanine, conf. I
164146.3179 0.8594 -5.2731 3 516.2041405 89502 303673730 673631 a-Alanine, conf. I
164146.3179 0.8594 -5.2731 3 516.2041405 89502 303673731 673632 a-Alanine, conf. I
164146.6134 0.7629 -5.5911 3 227.0946279 89502 303462125 452224 a-Alanine, conf. I
164152.2224 4.3141 -5.9741 3 976.9196579 89502 303964156 964057 a-Alanine, conf. I
164176.2174 0.0525 -5.3809 3 113.5342183 89502 3033021 9 2921 8 a-Alanine, conf. I
164176.2174 0.0525 -5.3809 3 113.5342183 89502 303302110 2921 9 a-Alanine, conf. I
164193.0363 0.2755 -5.1627 3 346.1170315 89502 303523616 523517 a-Alanine, conf. I
164193.0363 0.2755 -5.1627 3 346.1170315 89502 303523617 523518 a-Alanine, conf. I
164196.1615 1.1401 -6.3628 3 515.6034393 89502 303654124 644223 a-Alanine, conf. I
164196.1615 1.1401 -6.3628 3 515.6034393 89502 303654125 644222 a-Alanine, conf. I
164206.6346 0.7484 -5.2670 3 349.2664381 89502 30363 855 63 756 a-Alanine, conf. I
164206.6346 0.7484 -6.4774 3 349.2664381 89502 30363 855 63 856 a-Alanine, conf. I
164206.6346 0.7484 -6.4774 3 349.2664381 89502 30363 955 63 756 a-Alanine, conf. I
164206.6346 0.7484 -5.2670 3 349.2664381 89502 30363 955 63 856 a-Alanine, conf. I
164248.7398 0.8550 -5.3515 3 293.1038357 89502 30359 554 59 455 a-Alanine, conf. I
164248.7398 0.8550 -5.3515 3 293.1038357 89502 30359 654 59 555 a-Alanine, conf. I
164290.2649 7.3080 -6.3263 3 1176.2953639 89502 303A64363 A64264 a-Alanine, conf. I
164309.7865 0.1088 -5.8481 3 50.2968141 89502 30323 716 22 616 a-Alanine, conf. I
164317.4292 0.0906 -4.9805 3 96.8759219 89502 30336 036 35 035 a-Alanine, conf. I
164317.4292 0.0906 -4.3482 3 96.8759219 89502 30336 036 35 135 a-Alanine, conf. I
164317.4292 0.0906 -4.3482 3 96.8759219 89502 30336 136 35 035 a-Alanine, conf. I
164317.4292 0.0906 -4.9805 3 96.8759219 89502 30336 136 35 135 a-Alanine, conf. I
164349.2775 4.2089 -5.6499 3 765.3212531 89502 303882464 882365 a-Alanine, conf. I
164349.3594 4.2088 -5.6499 3 765.3212531 89502 303882564 882465 a-Alanine, conf. I
164376.0187 0.0451 -4.9720 3 48.8048135 89502 303221012 21 913 a-Alanine, conf. I
164391.4074 0.8707 -5.8275 3 316.8079321 89502 303532826 522923 a-Alanine, conf. I
164391.4080 0.8707 -5.8275 3 316.8079321 89502 303532825 522924 a-Alanine, conf. I
164398.2325 7.0875 -6.3257 3 1176.2911639 89502 303A64364 A64265 a-Alanine, conf. I
164412.4509 0.0563 -5.3359 3 110.3668183 89502 303302010 2920 9 a-Alanine, conf. I
164412.4509 0.0563 -5.3359 3 110.3668183 89502 303302011 292010 a-Alanine, conf. I
164417.8046 0.2528 -5.1660 3 336.6341309 89502 303513615 513516 a-Alanine, conf. I
164417.8046 0.2528 -5.1660 3 336.6341309 89502 303513616 513517 a-Alanine, conf. I
164452.9794 0.3805 -6.4144 3 119.4067207 89502 303341421 341124 a-Alanine, conf. I
164484.0862 1.4708 -5.4336 3 640.7652459 89502 303763838 763739 a-Alanine, conf. I
164484.0866 1.4708 -5.4336 3 640.7652459 89502 303763839 763740 a-Alanine, conf. I
164493.4532 5.5885 -6.1430 3 1074.2244609 89502 303A14259 A14160 a-Alanine, conf. I
164507.1947 3.1451 -5.7873 3 867.5238543 89502 303904050 903951 a-Alanine, conf. I
164507.8184 3.1442 -5.7873 3 867.5238543 89502 303904051 903952 a-Alanine, conf. I
164516.7646 2.0198 -6.1039 3 213.0371273 89502 303451926 451629 a-Alanine, conf. I
164521.6418 5.5361 -6.1428 3 1074.2234609 89502 303A14260 A14161 a-Alanine, conf. I
164550.1062 0.7473 -5.5591 3 215.6486273 89502 303452026 442123 a-Alanine, conf. I
164572.9127 0.0439 -5.0221 3 95.9065207 89502 30334 331 33 330 a-Alanine, conf. I
164572.9127 0.0439 -4.4499 3 95.9065207 89502 30334 331 33 430 a-Alanine, conf. I
164572.9127 0.0439 -4.4499 3 95.9065207 89502 30334 431 33 330 a-Alanine, conf. I
164572.9127 0.0439 -5.0221 3 95.9065207 89502 30334 431 33 430 a-Alanine, conf. I
164586.0483 12.0151 -6.3397 3 1177.5653651 89502 303A83474 A83375 a-Alanine, conf. I
164612.2930 1.1383 -5.9047 3 226.6907327 89502 30354 153 54 054 a-Alanine, conf. I
164612.2930 1.1383 -5.9047 3 226.6907327 89502 30354 253 54 154 a-Alanine, conf. I
164621.5896 0.8024 -5.2585 3 503.9090399 89502 303663729 663630 a-Alanine, conf. I
164621.5896 0.8024 -5.2585 3 503.9090399 89502 303663730 663631 a-Alanine, conf. I
164629.0113 0.2331 -5.1714 3 327.3376303 89502 303503614 503515 a-Alanine, conf. I
164629.0113 0.2331 -5.1714 3 327.3376303 89502 303503615 503516 a-Alanine, conf. I
164669.1037 0.1428 -5.0338 3 62.2193153 89502 303251016 24 915 a-Alanine, conf. I
164674.0768 0.7697 -5.5584 3 215.6485273 89502 303452025 442124 a-Alanine, conf. I
164691.1105 0.0618 -5.2956 3 107.3658183 89502 303301912 291911 a-Alanine, conf. I
164691.1106 0.0618 -5.2956 3 107.3658183 89502 303301911 291910 a-Alanine, conf. I
164692.3441 0.8934 -5.8628 3 330.9846327 89502 303542926 533023 a-Alanine, conf. I
164692.3442 0.8934 -5.8628 3 330.9846327 89502 303542925 533024 a-Alanine, conf. I
164699.9835 0.1692 -5.0248 3 67.0790159 89502 303261017 25 916 a-Alanine, conf. I
164701.9440 0.0305 -6.1537 3 39.9713135 89502 30322 319 21 219 a-Alanine, conf. I
164702.2091 0.0305 -6.1537 3 39.9713135 89502 30322 419 21 319 a-Alanine, conf. I
164702.6772 0.1774 -4.9941 3 72.1161165 89502 303271018 26 917 a-Alanine, conf. I
164711.4901 11.7685 -6.3391 3 1177.5660651 89502 303A83574 A83475 a-Alanine, conf. I
164738.9677 1.1729 -6.4048 3 533.9878399 89502 303664224 654323 a-Alanine, conf. I
164738.9677 1.1729 -6.4048 3 533.9878399 89502 303664225 654322 a-Alanine, conf. I
164774.8264 1.9855 -6.3416 3 155.2934237 89502 303391425 391128 a-Alanine, conf. I
164820.3138 0.5007 -6.4933 3 111.2014201 89502 303331321 331024 a-Alanine, conf. I
164827.2741 0.2166 -5.1790 3 318.2273297 89502 303493613 493514 a-Alanine, conf. I
164827.2741 0.2166 -5.1790 3 318.2273297 89502 303493614 493515 a-Alanine, conf. I
164897.3328 0.0207 -5.7815 3 53.1237141 89502 303231013 22 913 a-Alanine, conf. I
164915.8828 0.0443 -4.5877 3 93.0881195 89502 30332 626 31 725 a-Alanine, conf. I
164916.0970 0.0443 -5.0604 3 93.0881195 89502 30332 726 31 725 a-Alanine, conf. I
164916.4212 0.0443 -5.0604 3 93.0881195 89502 30332 626 31 625 a-Alanine, conf. I
164916.6354 0.0443 -4.5877 3 93.0881195 89502 30332 726 31 625 a-Alanine, conf. I
164923.2657 0.8082 -5.2571 3 392.3814399 89502 303661056 66 957 a-Alanine, conf. I
164923.2657 0.8082 -6.4816 3 392.3814399 89502 303661056 661057 a-Alanine, conf. I
164923.2657 0.8082 -6.4816 3 392.3814399 89502 303661156 66 957 a-Alanine, conf. I
164923.2657 0.8082 -5.2571 3 392.3814399 89502 303661156 661057 a-Alanine, conf. I
164935.9142 2.1284 -5.4014 3 584.8387471 89502 303781860 781761 a-Alanine, conf. I
164935.9143 2.1284 -5.4014 3 584.8387471 89502 303781960 781861 a-Alanine, conf. I
164940.7696 0.0438 -5.8511 3 29.7993111 89502 30318 712 17 413 a-Alanine, conf. I
164980.8807 4.6926 -5.7058 3 802.8376543 89502 303902565 902466 a-Alanine, conf. I
164981.0630 4.6924 -5.7058 3 802.8376543 89502 303902665 902566 a-Alanine, conf. I
165008.1157 2.1557 -5.5949 3 749.4764501 89502 303833944 833845 a-Alanine, conf. I
165008.1355 2.1556 -5.5949 3 749.4764501 89502 303833945 833846 a-Alanine, conf. I
165013.1856 0.2036 -5.1892 3 309.3028291 89502 303483612 483513 a-Alanine, conf. I
165013.1856 0.2036 -5.1892 3 309.3028291 89502 303483613 483514 a-Alanine, conf. I
165023.8836 0.0689 -5.2591 3 104.5333183 89502 303301813 291812 a-Alanine, conf. I
165023.8865 0.0689 -5.2591 3 104.5333183 89502 303301812 291811 a-Alanine, conf. I
165028.8696 0.9170 -5.8987 3 345.5000333 89502 303553025 543124 a-Alanine, conf. I
165028.8696 0.9170 -5.8987 3 345.5000333 89502 303553026 543123 a-Alanine, conf. I
165063.8690 0.1772 -5.1218 3 85.9885177 89502 303291217 281216 a-Alanine, conf. I
165072.3576 0.7483 -5.2449 3 491.8040393 89502 303653728 653629 a-Alanine, conf. I
165072.3576 0.7483 -5.2449 3 491.8040393 89502 303653729 653630 a-Alanine, conf. I
165114.0931 0.9414 -5.3448 3 124.8923213 89502 303351322 341421 a-Alanine, conf. I
165120.3344 3.0356 -5.5136 3 672.4181501 89502 303832162 832063 a-Alanine, conf. I
165120.3374 3.0356 -5.5136 3 672.4181501 89502 303832262 832163 a-Alanine, conf. I
165151.1665 0.7322 -5.5279 3 204.5496267 89502 303441926 432023 a-Alanine, conf. I
165166.1179 1.3813 -5.4121 3 626.7669453 89502 303753837 753738 a-Alanine, conf. I
165166.1180 1.3813 -5.4121 3 626.7669453 89502 303753838 753739 a-Alanine, conf. I
165179.4950 0.0095 -5.7444 3 42.2858105 89502 3031716 1 1615 1 a-Alanine, conf. I
165179.5040 0.0300 -4.5924 3 42.2858105 -89502 3031716 1 1615 2 a-Alanine, conf. I
165179.5040 0.0300 -4.5924 3 42.2858105 -89502 3031716 2 1615 1 a-Alanine, conf. I
165179.4950 0.0095 -5.7444 3 42.2858105 89502 3031716 2 1615 2 a-Alanine, conf. I
165187.3148 0.1943 -5.2023 3 300.5640285 89502 303473611 473512 a-Alanine, conf. I
165187.3148 0.1943 -5.2023 3 300.5640285 89502 303473612 473513 a-Alanine, conf. I
165192.9154 0.1634 -4.9463 3 77.3062171 89502 303281019 27 918 a-Alanine, conf. I
165196.6672 0.9347 -5.4113 3 278.2454351 89502 30358 454 58 355 a-Alanine, conf. I
165196.6672 0.9347 -5.4113 3 278.2454351 89502 30358 554 58 455 a-Alanine, conf. I
165280.7695 0.3928 -5.4807 3 173.3847249 89502 303411626 401723 a-Alanine, conf. I
165287.1127 1.2069 -6.4474 3 552.7082405 89502 303674324 664423 a-Alanine, conf. I
165287.1127 1.2069 -6.4474 3 552.7082405 89502 303674325 664422 a-Alanine, conf. I
165320.6116 0.7817 -5.2856 3 333.4920375 89502 30362 755 62 656 a-Alanine, conf. I
165320.6116 0.7817 -6.4887 3 333.4920375 89502 30362 755 62 756 a-Alanine, conf. I
165320.6116 0.7817 -6.4887 3 333.4920375 89502 30362 855 62 656 a-Alanine, conf. I
165320.6116 0.7817 -5.2856 3 333.4920375 89502 30362 855 62 756 a-Alanine, conf. I
165320.9357 10.7769 -6.2574 3 1132.6781639 89502 303A63373 A63274 a-Alanine, conf. I
165350.2085 0.1889 -5.2186 3 292.0106279 89502 303463610 463511 a-Alanine, conf. I
165350.2085 0.1889 -5.2186 3 292.0106279 89502 303463611 463512 a-Alanine, conf. I
165379.3915 0.9869 -5.2700 3 437.5136417 89502 303691257 691158 a-Alanine, conf. I
165379.3915 0.9869 -6.5092 3 437.5136417 89502 303691257 691258 a-Alanine, conf. I
165379.3915 0.9869 -6.5092 3 437.5136417 89502 303691357 691158 a-Alanine, conf. I
165379.3915 0.9869 -5.2700 3 437.5136417 89502 303691357 691258 a-Alanine, conf. I
165385.1405 10.6552 -6.2571 3 1132.6785639 89502 303A63473 A63374 a-Alanine, conf. I
165395.7565 0.9415 -5.9350 3 360.3538339 89502 303563125 553224 a-Alanine, conf. I
165395.7565 0.9415 -5.9350 3 360.3538339 89502 303563126 553223 a-Alanine, conf. I
165415.5799 1.6573 -5.3447 3 533.7608453 89502 303751659 751560 a-Alanine, conf. I
165415.5799 1.6573 -5.3447 3 533.7608453 89502 303751759 751660 a-Alanine, conf. I
165427.4746 0.0773 -5.2258 3 101.8725183 89502 303301714 291713 a-Alanine, conf. I
165427.5304 0.0773 -5.2258 3 101.8725183 89502 303301713 291712 a-Alanine, conf. I
165499.7870 0.6970 -5.2323 3 479.8887387 89502 303643727 643628 a-Alanine, conf. I
165499.7870 0.6970 -5.2323 3 479.8887387 89502 303643728 643629 a-Alanine, conf. I
165501.0230 5.2210 -5.7646 3 841.1873555 89502 303922666 922567 a-Alanine, conf. I
165501.4220 5.2205 -5.7646 3 841.1873555 89502 303922766 922667 a-Alanine, conf. I
165502.2481 4.0350 -5.9385 3 959.1056573 89502 303954154 954055 a-Alanine, conf. I
165502.3927 0.1873 -5.2389 3 283.6425273 89502 3034536 9 453510 a-Alanine, conf. I
165502.3927 0.1873 -5.2389 3 283.6425273 89502 303453610 453511 a-Alanine, conf. I
165505.4263 4.0297 -5.9385 3 959.1055573 89502 303954155 954056 a-Alanine, conf. I
165552.4729 1.2749 -5.3002 3 484.6460435 89502 303721458 721359 a-Alanine, conf. I
165552.4729 1.2749 -5.3002 3 484.6460435 89502 303721558 721459 a-Alanine, conf. I
165577.8798 8.8461 -6.4778 3 1262.4452663 89502 303B04466 B04367 a-Alanine, conf. I
165589.1681 0.1663 -5.4109 3 42.4918129 89502 30321 813 20 714 a-Alanine, conf. I
165597.5894 2.5679 -5.9738 3 223.4188285 89502 303471632 461729 a-Alanine, conf. I
165598.2626 0.8029 -5.5253 3 204.5489267 89502 303441925 432024 a-Alanine, conf. I
165604.7960 1.0548 -5.4558 3 165.8519243 89502 303401624 391723 a-Alanine, conf. I
165614.1638 0.0385 -6.3106 3 38.0248135 89502 30322 220 21 120 a-Alanine, conf. I
165614.1721 0.0385 -6.3106 3 38.0248135 89502 30322 320 21 220 a-Alanine, conf. I
165621.8860 2.9477 -5.7559 3 850.8579537 89502 303894049 893950 a-Alanine, conf. I
165622.1706 2.9473 -5.7559 3 850.8579537 89502 303894050 893951 a-Alanine, conf. I
165644.3741 0.1892 -5.2638 3 275.4594267 89502 3034436 8 4435 9 a-Alanine, conf. I
165644.3741 0.1892 -5.2638 3 275.4594267 89502 3034436 9 443510 a-Alanine, conf. I
165674.5889 0.0492 -5.0901 3 88.1855183 89502 303301021 291020 a-Alanine, conf. I
165755.2957 1.5053 -6.4489 3 367.6647363 89502 303602040 592337 a-Alanine, conf. I
165776.6409 0.1942 -5.2944 3 267.4611261 89502 3034336 7 4335 8 a-Alanine, conf. I
165776.6409 0.1942 -5.2944 3 267.4611261 89502 3034336 8 4335 9 a-Alanine, conf. I
165781.4396 8.3940 -6.4767 3 1262.4372663 89502 303B04467 B04368 a-Alanine, conf. I
165788.7179 0.9669 -5.9719 3 375.5456345 89502 303573225 563324 a-Alanine, conf. I
165788.7179 0.9669 -5.9719 3 375.5456345 89502 303573226 563323 a-Alanine, conf. I
165813.7303 0.6930 -5.4995 3 193.8009261 89502 303431826 421923 a-Alanine, conf. I
165813.9950 1.2971 -5.3913 3 612.9612447 89502 303743836 743737 a-Alanine, conf. I
165813.9951 1.2971 -5.3913 3 612.9612447 89502 303743837 743738 a-Alanine, conf. I
165835.2366 5.7055 -6.4071 3 350.5569357 89502 303591941 582038 a-Alanine, conf. I
165837.7182 0.1895 -6.4593 3 114.9669201 89502 303331519 331222 a-Alanine, conf. I
165839.1130 9.7000 -6.1783 3 1088.5939627 89502 303A43272 A43173 a-Alanine, conf. I
165839.9615 1.2420 -6.4906 3 571.7647411 89502 303684424 674523 a-Alanine, conf. I
165839.9615 1.2420 -6.4906 3 571.7647411 89502 303684425 674522 a-Alanine, conf. I
165871.5096 9.6410 -6.1781 3 1088.5941627 89502 303A43372 A43273 a-Alanine, conf. I
165880.4882 2.0257 -5.5684 3 734.1486495 89502 303823943 823844 a-Alanine, conf. I
165880.4965 2.0257 -5.5684 3 734.1486495 89502 303823944 823845 a-Alanine, conf. I
165899.6640 0.2018 -5.3320 3 259.6475255 89502 3034236 6 4235 7 a-Alanine, conf. I
165899.6640 0.2018 -5.3320 3 259.6475255 89502 3034236 7 4235 8 a-Alanine, conf. I
165903.2963 5.7990 -5.8263 3 880.3670567 89502 303942767 942668 a-Alanine, conf. I
165904.1565 5.7978 -5.8263 3 880.3670567 89502 303942867 942768 a-Alanine, conf. I
165904.9708 0.6482 -5.2206 3 468.1628381 89502 303633726 633627 a-Alanine, conf. I
165904.9708 0.6482 -5.2206 3 468.1628381 89502 303633727 633628 a-Alanine, conf. I
165912.2375 0.0070 -5.7564 3 43.1156111 89502 3031815 3 1714 3 a-Alanine, conf. I
165912.2330 0.0300 -4.6290 3 43.1156111 -89502 3031815 3 1714 4 a-Alanine, conf. I
165912.2330 0.0300 -4.6290 3 43.1156111 -89502 3031815 4 1714 3 a-Alanine, conf. I
165912.2375 0.0070 -5.7564 3 43.1156111 89502 3031815 4 1714 4 a-Alanine, conf. I
165926.7494 0.0871 -5.1951 3 99.3879183 89502 303301615 291614 a-Alanine, conf. I
165927.6178 0.0872 -5.1951 3 99.3879183 89502 303301614 291613 a-Alanine, conf. I
165994.5283 0.0528 -5.0000 3 98.2419213 89502 30335 233 34 232 a-Alanine, conf. I
165994.5283 0.0528 -4.4044 3 98.2419213 89502 30335 233 34 332 a-Alanine, conf. I
165994.5283 0.0528 -4.4044 3 98.2419213 89502 30335 333 34 232 a-Alanine, conf. I
165994.5283 0.0528 -5.0000 3 98.2419213 89502 30335 333 34 332 a-Alanine, conf. I
166013.8979 0.2115 -5.3788 3 252.0182249 89502 3034136 5 4135 6 a-Alanine, conf. I
166013.8979 0.2115 -5.3788 3 252.0182249 89502 3034136 6 4135 7 a-Alanine, conf. I
166061.4356 5.1849 -6.1040 3 1055.4576603 89502 303A04258 A04159 a-Alanine, conf. I
166075.7225 5.1586 -6.1039 3 1055.4570603 89502 303A04259 A04160 a-Alanine, conf. I
166077.8148 3.4107 -5.5612 3 707.8219513 89502 303852263 852164 a-Alanine, conf. I
166077.8220 3.4107 -5.5612 3 707.8219513 89502 303852363 852264 a-Alanine, conf. I
166095.4341 1.0214 -5.4998 3 263.6111345 89502 30357 354 57 255 a-Alanine, conf. I
166095.4341 1.0214 -5.4998 3 263.6111345 89502 30357 454 57 355 a-Alanine, conf. I
166119.7814 0.2227 -5.4381 3 244.5732243 89502 3034036 4 4035 5 a-Alanine, conf. I
166119.7814 0.2227 -5.4381 3 244.5732243 89502 3034036 5 4035 6 a-Alanine, conf. I
166121.7846 6.7121 -6.2836 3 1156.5730633 89502 303A54362 A54263 a-Alanine, conf. I
166161.5246 0.7841 -5.2617 3 375.9212393 89502 30365 956 65 857 a-Alanine, conf. I
166161.5246 0.7841 -6.4785 3 375.9212393 89502 30365 956 65 957 a-Alanine, conf. I
166161.5246 0.7841 -6.4785 3 375.9212393 89502 303651056 65 857 a-Alanine, conf. I
166161.5246 0.7841 -5.2617 3 375.9212393 89502 303651056 65 957 a-Alanine, conf. I
166162.9152 0.5948 -5.4790 3 183.4085255 89502 303421726 411823 a-Alanine, conf. I
166166.6988 8.7478 -6.1021 3 1045.3171615 89502 303A23171 A23072 a-Alanine, conf. I
166169.8424 2.4188 -5.4401 3 618.1042483 89502 303801961 801862 a-Alanine, conf. I
166169.8426 2.4188 -5.4401 3 618.1042483 89502 303802061 801962 a-Alanine, conf. I
166178.8492 6.5961 -6.2833 3 1156.5708633 89502 303A54363 A54264 a-Alanine, conf. I
166180.3556 6.4324 -5.8909 3 920.3734579 89502 303962868 962769 a-Alanine, conf. I
166182.1836 6.4296 -5.8909 3 920.3734579 89502 303962968 962869 a-Alanine, conf. I
166182.8193 8.7197 -6.1020 3 1045.3172615 89502 303A23271 A23172 a-Alanine, conf. I
166204.2008 0.9930 -6.0092 3 391.0752351 89502 303583325 573424 a-Alanine, conf. I
166204.2008 0.9930 -6.0092 3 391.0752351 89502 303583326 573423 a-Alanine, conf. I
166217.7386 0.2351 -5.5154 3 237.3123237 89502 3033936 3 3935 4 a-Alanine, conf. I
166217.7386 0.2351 -5.5154 3 237.3123237 89502 3033936 4 3935 5 a-Alanine, conf. I
166264.5308 4.9352 -6.2849 3 305.0793333 89502 303551838 541935 a-Alanine, conf. I
166273.3845 0.0446 -4.5250 3 96.0575201 89502 30333 528 32 627 a-Alanine, conf. I
166273.3883 0.0446 -5.0395 3 96.0575201 89502 30333 628 32 627 a-Alanine, conf. I
166273.3946 0.0446 -5.0395 3 96.0575201 89502 30333 528 32 527 a-Alanine, conf. I
166273.3984 0.0446 -4.5250 3 96.0575201 89502 30333 628 32 527 a-Alanine, conf. I
166288.9376 0.6019 -5.2100 3 456.6260375 89502 303623725 623626 a-Alanine, conf. I
166288.9376 0.6019 -5.2100 3 456.6260375 89502 303623726 623627 a-Alanine, conf. I
166308.1794 0.2483 -5.6209 3 230.2352231 89502 3033836 2 3835 3 a-Alanine, conf. I
166308.1794 0.2483 -5.6209 3 230.2352231 89502 3033836 3 3835 4 a-Alanine, conf. I
166323.1764 7.8962 -6.0288 3 1002.8522603 89502 303A03070 A02971 a-Alanine, conf. I
166323.6731 7.1284 -5.9584 3 961.2030591 89502 303982969 982870 a-Alanine, conf. I
166327.5027 7.1223 -5.9584 3 961.2030591 89502 303983069 982970 a-Alanine, conf. I
166331.0881 7.8830 -6.0288 3 1002.8522603 89502 303A03170 A03071 a-Alanine, conf. I
166355.5631 0.1664 -6.4108 3 121.3031207 89502 303341520 341223 a-Alanine, conf. I
166376.9017 0.8379 -5.3138 3 317.9365369 89502 30361 655 61 556 a-Alanine, conf. I
166376.9017 0.8379 -6.5098 3 317.9365369 89502 30361 655 61 656 a-Alanine, conf. I
166376.9017 0.8379 -6.5098 3 317.9365369 89502 30361 755 61 556 a-Alanine, conf. I
166376.9017 0.8379 -5.3138 3 317.9365369 89502 30361 755 61 656 a-Alanine, conf. I
166391.5000 0.2620 -5.7777 3 223.3418225 89502 3033736 1 3735 2 a-Alanine, conf. I
166391.5000 0.2620 -5.7777 3 223.3418225 89502 3033736 2 3735 3 a-Alanine, conf. I
166402.6922 0.1357 -5.1796 3 47.5731135 89502 30322 913 21 814 a-Alanine, conf. I
166429.5410 1.2177 -5.3714 3 599.3477441 89502 303733835 733736 a-Alanine, conf. I
166429.5410 1.2177 -5.3714 3 599.3477441 89502 303733836 733737 a-Alanine, conf. I
166468.0838 0.2761 -6.0596 3 216.6319219 89502 3033636 0 3635 1 a-Alanine, conf. I
166468.0838 0.2761 -6.0596 3 216.6319219 89502 3033636 1 3635 2 a-Alanine, conf. I
166543.6919 0.1323 -4.8900 3 82.6302177 89502 303291020 28 919 a-Alanine, conf. I
166558.5374 0.0987 -5.1666 3 97.0857183 89502 303301516 291515 a-Alanine, conf. I
166568.9719 0.0561 -5.8030 3 51.6495141 89502 30323 915 22 815 a-Alanine, conf. I
166569.4137 0.0994 -5.1666 3 97.0859183 89502 303301515 291514 a-Alanine, conf. I
166606.8115 0.5212 -5.1242 3 102.7991195 89502 303321121 311220 a-Alanine, conf. I
166616.9080 0.0300 -4.6693 3 44.3031117 -89502 3031914 6 1813 5 a-Alanine, conf. I
166616.8914 0.0078 -5.7660 3 44.3031117 89502 3031914 5 1813 5 a-Alanine, conf. I
166616.8927 0.0078 -5.7660 3 44.3031117 89502 3031914 6 1813 6 a-Alanine, conf. I
166616.9080 0.0300 -4.6693 3 44.3031117 -89502 3031914 5 1813 6 a-Alanine, conf. I
166639.2325 1.0199 -6.0471 3 406.9424357 89502 303593425 583524 a-Alanine, conf. I
166639.2325 1.0199 -6.0471 3 406.9424357 89502 303593426 583523 a-Alanine, conf. I
166652.6571 0.5580 -5.2004 3 445.2780369 89502 303613724 613625 a-Alanine, conf. I
166652.6571 0.5580 -5.2004 3 445.2780369 89502 303613725 613626 a-Alanine, conf. I
166677.9120 2.7662 -5.7254 3 834.3891531 89502 303884048 883949 a-Alanine, conf. I
166678.0396 2.7661 -5.7254 3 834.3891531 89502 303884049 883950 a-Alanine, conf. I
166708.8914 1.9046 -5.5427 3 719.0155489 89502 303813942 813843 a-Alanine, conf. I
166708.8948 1.9045 -5.5427 3 719.0155489 89502 303813943 813844 a-Alanine, conf. I
166747.8794 3.8262 -6.1387 3 262.6792309 89502 303511735 501832 a-Alanine, conf. I
166753.9884 0.8997 -5.2647 3 420.3757411 89502 303681157 681058 a-Alanine, conf. I
166753.9884 0.8997 -6.4958 3 420.3757411 89502 303681157 681158 a-Alanine, conf. I
166753.9884 0.8997 -6.4958 3 420.3757411 89502 303681257 681058 a-Alanine, conf. I
166753.9884 0.8997 -5.2647 3 420.3757411 89502 303681257 681158 a-Alanine, conf. I
166772.4130 0.0673 -5.8382 3 50.3287141 89502 30323 816 22 716 a-Alanine, conf. I
166782.6000 3.7728 -5.9039 3 941.4909567 89502 303944153 944054 a-Alanine, conf. I
166784.1173 3.7703 -5.9039 3 941.4908567 89502 303944154 944055 a-Alanine, conf. I
166800.5973 3.0359 -5.9935 3 258.7145303 89502 303501931 501634 a-Alanine, conf. I
166817.7588 1.8996 -5.3772 3 565.7225465 89502 303771760 771661 a-Alanine, conf. I
166817.7588 1.8996 -5.3772 3 565.7225465 89502 303771860 771761 a-Alanine, conf. I
166866.6149 0.0461 -4.7151 3 91.8962189 89502 30331 823 30 922 a-Alanine, conf. I
166941.3083 3.8198 -5.6119 3 744.0678525 89502 303872364 872265 a-Alanine, conf. I
166941.3250 3.8197 -5.6119 3 744.0678525 89502 303872464 872365 a-Alanine, conf. I
166947.7487 1.1121 -5.6400 3 249.2027339 89502 30356 254 56 155 a-Alanine, conf. I
166947.7487 1.1121 -5.6400 3 249.2027339 89502 30356 354 56 255 a-Alanine, conf. I
166965.2230 0.0455 -5.0719 3 91.8962189 89502 30331 923 30 922 a-Alanine, conf. I
166997.0451 0.5163 -5.1919 3 434.1184363 89502 303603723 603624 a-Alanine, conf. I
166997.0451 0.5163 -5.1919 3 434.1184363 89502 303603724 603625 a-Alanine, conf. I
167014.4374 1.1427 -5.3523 3 585.9259435 89502 303723834 723735 a-Alanine, conf. I
167014.4374 1.1427 -5.3523 3 585.9259435 89502 303723835 723736 a-Alanine, conf. I
167015.7587 1.6394 -6.4374 3 139.0206225 89502 303371324 371027 a-Alanine, conf. I
167077.6725 1.1336 -5.2874 3 466.8392429 89502 303711358 711259 a-Alanine, conf. I
167077.6725 1.1336 -5.2874 3 466.8392429 89502 303711458 711359 a-Alanine, conf. I
167079.6496 0.0455 -5.0712 3 91.8891189 89502 30331 823 30 822 a-Alanine, conf. I
167091.3045 1.0476 -6.0856 3 423.1471363 89502 303603525 593624 a-Alanine, conf. I
167091.3045 1.0476 -6.0856 3 423.1471363 89502 303603526 593623 a-Alanine, conf. I
167094.0103 2.4408 -5.9446 3 280.4581315 89502 303522032 521735 a-Alanine, conf. I
167108.5578 1.4707 -5.3258 3 515.2942447 89502 303741559 741460 a-Alanine, conf. I
167108.5578 1.4707 -5.3258 3 515.2942447 89502 303741659 741560 a-Alanine, conf. I
167137.1579 0.0640 -5.9661 3 28.5646111 89502 30318 513 17 414 a-Alanine, conf. I
167147.7085 0.0460 -5.0808 3 88.0794183 89502 30330 921 29 920 a-Alanine, conf. I
167178.2577 0.0460 -4.7133 3 91.8891189 89502 30331 923 30 822 a-Alanine, conf. I
167192.2058 0.1533 -5.6279 3 37.6390123 89502 30320 713 19 614 a-Alanine, conf. I
167254.2530 0.0099 -4.7157 3 45.8586123 89502 3032013 8 1912 7 a-Alanine, conf. I
167254.2876 0.0099 -5.7730 3 45.8586123 89502 3032013 7 1912 7 a-Alanine, conf. I
167254.4658 0.0099 -5.7730 3 45.8586123 89502 3032013 8 1912 8 a-Alanine, conf. I
167254.5004 0.0099 -4.7157 3 45.8586123 89502 3032013 7 1912 8 a-Alanine, conf. I
167301.1179 0.8949 -5.4904 3 193.7981261 89502 303431825 421924 a-Alanine, conf. I
167304.6058 1.7594 -6.2492 3 177.8278249 89502 303411823 411526 a-Alanine, conf. I
167321.6714 2.7367 -5.4822 3 652.2199495 89502 303822062 821963 a-Alanine, conf. I
167321.6719 2.7367 -5.4822 3 652.2199495 89502 303822162 822063 a-Alanine, conf. I
167322.9690 0.4768 -5.1846 3 423.1471357 89502 303593722 593623 a-Alanine, conf. I
167322.9690 0.4768 -5.1846 3 423.1471357 89502 303593723 593624 a-Alanine, conf. I
167335.6424 0.7933 -5.2723 3 359.6759387 89502 30364 856 64 757 a-Alanine, conf. I
167335.6424 0.7933 -6.4817 3 359.6759387 89502 30364 856 64 857 a-Alanine, conf. I
167335.6424 0.7933 -6.4817 3 359.6759387 89502 30364 956 64 757 a-Alanine, conf. I
167335.6424 0.7933 -5.2723 3 359.6759387 89502 30364 956 64 857 a-Alanine, conf. I
167360.2909 0.1114 -5.1398 3 94.9752183 89502 303301417 291416 a-Alanine, conf. I
167378.9382 0.9103 -5.3549 3 302.6015363 89502 30360 555 60 456 a-Alanine, conf. I
167378.9382 0.9103 -5.3549 3 302.6015363 89502 30360 655 60 556 a-Alanine, conf. I
167413.8482 0.0709 -4.9782 3 100.3913219 89502 30336 135 35 134 a-Alanine, conf. I
167413.8482 0.0709 -4.3627 3 100.3913219 89502 30336 135 35 234 a-Alanine, conf. I
167413.8482 0.0709 -4.3627 3 100.3913219 89502 30336 235 35 134 a-Alanine, conf. I
167413.8482 0.0709 -4.9782 3 100.3913219 89502 30336 235 35 234 a-Alanine, conf. I
167466.9095 0.1176 -5.1392 3 94.9777183 89502 303301416 291415 a-Alanine, conf. I
167495.9693 1.7913 -5.5179 3 704.0765483 89502 303803941 803842 a-Alanine, conf. I
167495.9707 1.7913 -5.5179 3 704.0765483 89502 303803942 803843 a-Alanine, conf. I
167534.6566 4.8278 -6.0660 3 1036.8923597 89502 303994257 994158 a-Alanine, conf. I
167535.1967 0.0138 -4.8543 3 50.1683135 89502 303221112 211011 a-Alanine, conf. I
167541.7780 4.8148 -6.0660 3 1036.8920597 89502 303994258 994159 a-Alanine, conf. I
167544.3066 0.1503 -5.7838 3 55.7775147 89502 30324 816 23 716 a-Alanine, conf. I
167558.2844 1.0761 -6.1245 3 439.6889369 89502 303613625 603724 a-Alanine, conf. I
167558.2844 1.0761 -6.1245 3 439.6889369 89502 303613626 603723 a-Alanine, conf. I
167570.2405 1.0717 -5.3341 3 572.6954429 89502 303713833 713734 a-Alanine, conf. I
167570.2405 1.0717 -5.3341 3 572.6954429 89502 303713834 713735 a-Alanine, conf. I
167585.0834 8.0659 -6.4325 3 1241.9709657 89502 303A94465 A94366 a-Alanine, conf. I
167631.2511 0.4396 -5.1784 3 412.3636351 89502 303583721 583622 a-Alanine, conf. I
167631.2511 0.4396 -5.1784 3 412.3636351 89502 303583722 583623 a-Alanine, conf. I
167651.8528 0.0138 -5.7793 3 50.1683135 89502 303221111 211011 a-Alanine, conf. I
167668.4206 13.2894 -6.4472 3 1243.5570669 89502 303B13576 B13477 a-Alanine, conf. I
167670.7254 0.2656 -4.9610 3 95.3739189 89502 303311021 301120 a-Alanine, conf. I
167671.7266 0.0450 -4.4707 3 98.8240207 89502 30334 430 33 529 a-Alanine, conf. I
167671.7266 0.0450 -5.0182 3 98.8240207 89502 30334 530 33 529 a-Alanine, conf. I
167671.7267 0.0450 -5.0182 3 98.8240207 89502 30334 430 33 429 a-Alanine, conf. I
167671.7267 0.0450 -4.4707 3 98.8240207 89502 30334 530 33 429 a-Alanine, conf. I
167679.4434 2.5987 -5.6957 3 818.1169525 89502 303874047 873948 a-Alanine, conf. I
167679.4996 2.5986 -5.6957 3 818.1169525 89502 303874048 873949 a-Alanine, conf. I
167695.3062 7.8216 -6.4319 3 1241.9666657 89502 303A94466 A94367 a-Alanine, conf. I
167706.6203 4.2656 -5.6656 3 781.1531537 89502 303892465 892366 a-Alanine, conf. I
167706.6586 4.2655 -5.6656 3 781.1531537 89502 303892565 892466 a-Alanine, conf. I
167728.2580 0.0300 -4.7731 3 47.7999129 -89502 303211210 2011 9 a-Alanine, conf. I
167731.1538 0.0122 -5.7771 3 47.7999129 89502 3032112 9 2011 9 a-Alanine, conf. I
167742.6273 0.0123 -5.7771 3 47.7995129 89502 303211210 201110 a-Alanine, conf. I
167745.4430 0.0300 -4.7730 3 47.7995129 -89502 3032112 9 201110 a-Alanine, conf. I
167756.0982 1.2049 -5.9058 3 235.0216333 89502 30355 154 55 055 a-Alanine, conf. I
167756.0982 1.2049 -5.9058 3 235.0216333 89502 30355 254 55 155 a-Alanine, conf. I
167773.0128 0.0139 -5.9362 3 30.8081111 89502 30318 811 17 512 a-Alanine, conf. I
167803.2504 13.0024 -6.4465 3 1243.5578669 89502 303B13676 B13577 a-Alanine, conf. I
167827.0747 0.6115 -5.9239 3 292.7647321 89502 303532132 531835 a-Alanine, conf. I
167828.1039 6.2037 -6.2422 3 1137.0548627 89502 303A44361 A44262 a-Alanine, conf. I
167857.7592 6.1438 -6.2420 3 1137.0537627 89502 303A44362 A44263 a-Alanine, conf. I
167922.6728 0.4045 -5.1736 3 401.7677345 89502 303573720 573621 a-Alanine, conf. I
167922.6728 0.4045 -5.1736 3 401.7677345 89502 303573721 573622 a-Alanine, conf. I
167931.9790 0.0673 -5.8840 3 48.8617141 89502 30323 617 22 517 a-Alanine, conf. I
167993.3102 3.5341 -5.8702 3 924.0749561 89502 303934152 934053 a-Alanine, conf. I
167994.0225 3.5330 -5.8702 3 924.0748561 89502 303934153 934054 a-Alanine, conf. I
167999.8748 0.0747 -5.0864 3 89.7700183 89502 303301120 291119 a-Alanine, conf. I
168000.1748 0.0159 -5.7778 3 50.1528135 89502 303221112 211012 a-Alanine, conf. I
168038.3461 1.1053 -6.1641 3 456.5677375 89502 303623725 613824 a-Alanine, conf. I
168038.3461 1.1053 -6.1641 3 456.5677375 89502 303623726 613823 a-Alanine, conf. I
168056.8523 0.8456 -5.2638 3 403.4486405 89502 303671057 67 958 a-Alanine, conf. I
168056.8523 0.8456 -6.4870 3 403.4486405 89502 303671057 671058 a-Alanine, conf. I
168056.8523 0.8456 -6.4870 3 403.4486405 89502 303671157 67 958 a-Alanine, conf. I
168056.8523 0.8456 -5.2638 3 403.4486405 89502 303671157 671058 a-Alanine, conf. I
168098.3944 1.0045 -5.3167 3 559.6559423 89502 303703832 703733 a-Alanine, conf. I
168098.3944 1.0045 -5.3167 3 559.6559423 89502 303703833 703734 a-Alanine, conf. I
168116.8309 0.0178 -4.8521 3 50.1528135 89502 303221111 211012 a-Alanine, conf. I
168125.4650 0.0470 -4.6244 3 95.3602195 89502 30332 725 31 824 a-Alanine, conf. I
168128.9762 0.0470 -5.0537 3 95.3602195 89502 30332 825 31 824 a-Alanine, conf. I
168133.7865 0.0471 -5.0537 3 95.3599195 89502 30332 725 31 724 a-Alanine, conf. I
168137.2976 0.0471 -4.6243 3 95.3599195 89502 30332 825 31 724 a-Alanine, conf. I
168144.2375 2.1670 -5.4133 3 598.5393477 89502 303791861 791762 a-Alanine, conf. I
168144.2375 2.1670 -5.4133 3 598.5393477 89502 303791961 791862 a-Alanine, conf. I
168144.8410 0.2222 -6.3752 3 127.7988213 89502 303351521 351224 a-Alanine, conf. I
168197.9780 0.3717 -5.1701 3 391.3592339 89502 303563719 563620 a-Alanine, conf. I
168197.9780 0.3717 -5.1701 3 391.3592339 89502 303563720 563621 a-Alanine, conf. I
168244.1217 1.6851 -5.4938 3 689.3310477 89502 303793940 793841 a-Alanine, conf. I
168244.1223 1.6851 -5.4938 3 689.3310477 89502 303793941 793842 a-Alanine, conf. I
168259.6417 0.1192 -5.1149 3 93.0664183 89502 303301318 291317 a-Alanine, conf. I
168289.2490 3.2790 -6.0606 3 237.7979291 89502 303481830 481533 a-Alanine, conf. I
168298.5145 0.0719 -5.0732 3 83.7059177 89502 303291019 281018 a-Alanine, conf. I
168301.9716 0.0595 -5.8822 3 48.8649141 89502 30323 717 22 617 a-Alanine, conf. I
168329.8384 0.9936 -5.4143 3 287.4889357 89502 30359 455 59 356 a-Alanine, conf. I
168329.8384 0.9936 -5.4143 3 287.4889357 89502 30359 555 59 456 a-Alanine, conf. I
168369.0788 4.7514 -5.7223 3 819.0748549 89502 303912566 912467 a-Alanine, conf. I
168369.1655 4.7513 -5.7223 3 819.0748549 89502 303912666 912567 a-Alanine, conf. I
168385.7820 0.1096 -5.7996 3 32.9977117 89502 30319 613 18 514 a-Alanine, conf. I
168388.4437 3.0840 -5.5275 3 687.1832507 89502 303842163 842064 a-Alanine, conf. I
168388.4450 3.0840 -5.5275 3 687.1832507 89502 303842263 842164 a-Alanine, conf. I
168449.6485 0.8313 -5.2905 3 343.6475381 89502 30363 756 63 657 a-Alanine, conf. I
168449.6485 0.8313 -6.4927 3 343.6475381 89502 30363 756 63 757 a-Alanine, conf. I
168449.6485 0.8313 -6.4927 3 343.6475381 89502 30363 856 63 657 a-Alanine, conf. I
168449.6485 0.8313 -5.2905 3 343.6475381 89502 30363 856 63 757 a-Alanine, conf. I
168457.8756 0.3412 -5.1680 3 381.1379333 89502 303553718 553619 a-Alanine, conf. I
168457.8756 0.3412 -5.1680 3 381.1379333 89502 303553719 553620 a-Alanine, conf. I
168521.7090 11.9308 -6.3615 3 1197.4624657 89502 303A93475 A93376 a-Alanine, conf. I
168522.0704 1.0189 -5.2781 3 449.2386423 89502 303701258 701159 a-Alanine, conf. I
168522.0704 1.0189 -5.2781 3 449.2386423 89502 303701358 701259 a-Alanine, conf. I
168529.9162 1.1354 -6.2042 3 473.7834381 89502 303633825 623924 a-Alanine, conf. I
168529.9162 1.1354 -6.2042 3 473.7834381 89502 303633826 623923 a-Alanine, conf. I
168540.1938 0.1803 -5.0814 3 84.6843177 89502 303291118 281117 a-Alanine, conf. I
168545.8319 0.1062 -6.3348 3 154.7676189 89502 3033130 1 3030 0 a-Alanine, conf. I
168545.8319 0.1062 -6.3348 3 154.7676189 89502 3033130 2 3030 1 a-Alanine, conf. I
168590.4976 11.7894 -6.3611 3 1197.4628657 89502 303A93575 A93476 a-Alanine, conf. I
168594.1218 1.6909 -5.3554 3 546.8023459 89502 303761660 761561 a-Alanine, conf. I
168594.1218 1.6909 -5.3554 3 546.8023459 89502 303761760 761661 a-Alanine, conf. I
168600.2436 0.9407 -5.3001 3 546.8070417 89502 303693831 693732 a-Alanine, conf. I
168600.2436 0.9407 -5.3001 3 546.8070417 89502 303693832 693733 a-Alanine, conf. I
168626.8615 0.0949 -6.0310 3 150.1532189 89502 3033129 2 3029 1 a-Alanine, conf. I
168626.8615 0.0949 -6.0310 3 150.1532189 89502 3033129 3 3029 2 a-Alanine, conf. I
168630.1679 2.4434 -5.6668 3 802.0405519 89502 303864046 863947 a-Alanine, conf. I
168630.1923 2.4433 -5.6668 3 802.0405519 89502 303864047 863948 a-Alanine, conf. I
168672.3022 0.0176 -5.7443 3 57.5610147 89502 303241014 23 914 a-Alanine, conf. I
168703.0424 0.3131 -5.1676 3 371.1033327 89502 303543717 543618 a-Alanine, conf. I
168703.0424 0.3131 -5.1676 3 371.1033327 89502 303543718 543619 a-Alanine, conf. I
168709.7126 1.3058 -5.3096 3 497.0291441 89502 303731459 731360 a-Alanine, conf. I
168709.7126 1.3058 -5.3096 3 497.0291441 89502 303731559 731460 a-Alanine, conf. I
168717.4852 0.0845 -5.8524 3 145.6979189 89502 3033128 3 3028 2 a-Alanine, conf. I
168717.4852 0.0845 -5.8524 3 145.6979189 89502 3033128 4 3028 3 a-Alanine, conf. I
168765.6531 0.1189 -6.4005 3 123.5951213 89502 303351223 341321 a-Alanine, conf. I
168766.4899 0.1073 -5.0951 3 91.3529183 89502 303301219 291218 a-Alanine, conf. I
168819.1781 0.0753 -5.7254 3 141.4022189 89502 3033127 4 3027 3 a-Alanine, conf. I
168819.1781 0.0753 -5.7254 3 141.4022189 89502 3033127 5 3027 4 a-Alanine, conf. I
168825.7751 0.0988 -4.9566 3 102.3569225 89502 30337 037 36 036 a-Alanine, conf. I
168825.7751 0.0988 -4.3240 3 102.3569225 89502 30337 037 36 136 a-Alanine, conf. I
168825.7751 0.0988 -4.3240 3 102.3569225 89502 30337 137 36 036 a-Alanine, conf. I
168825.7751 0.0988 -4.9566 3 102.3569225 89502 30337 137 36 136 a-Alanine, conf. I
168855.0717 0.0974 -4.8331 3 88.0794183 89502 303301021 29 920 a-Alanine, conf. I
168883.4623 0.0335 -5.7736 3 52.9130141 89502 303231014 22 914 a-Alanine, conf. I
168923.0953 4.5079 -6.0290 3 1018.5274591 89502 303984256 984157 a-Alanine, conf. I
168923.4532 5.2811 -5.7819 3 857.8299561 89502 303932667 932568 a-Alanine, conf. I
168923.6457 5.2808 -5.7819 3 857.8299561 89502 303932767 932668 a-Alanine, conf. I
168926.5869 4.5016 -6.0290 3 1018.5273591 89502 303984257 984158 a-Alanine, conf. I
168933.7249 0.0675 -5.6269 3 137.2665189 89502 3033126 5 3026 4 a-Alanine, conf. I
168933.7249 0.0675 -5.6269 3 137.2665189 89502 3033126 6 3026 5 a-Alanine, conf. I
168934.1256 0.2877 -5.1688 3 361.2554321 89502 303533716 533617 a-Alanine, conf. I
168934.1256 0.2877 -5.1688 3 361.2554321 89502 303533717 533618 a-Alanine, conf. I
168955.5363 1.5855 -5.4705 3 674.7788471 89502 303783939 783840 a-Alanine, conf. I
168955.5366 1.5855 -5.4705 3 674.7788471 89502 303783940 783841 a-Alanine, conf. I
169029.4152 0.1564 -5.1108 3 93.0884183 89502 303301317 291316 a-Alanine, conf. I
169031.6310 1.1663 -6.2449 3 491.3358387 89502 303643925 634024 a-Alanine, conf. I
169031.6310 1.1663 -6.2449 3 491.3358387 89502 303643926 634023 a-Alanine, conf. I
169061.9852 0.0468 -5.9625 3 28.5636111 89502 30318 613 17 314 a-Alanine, conf. I
169063.3053 0.0615 -5.5464 3 133.2913189 89502 3033125 6 3025 5 a-Alanine, conf. I
169063.3053 0.0615 -5.5464 3 133.2913189 89502 3033125 7 3025 6 a-Alanine, conf. I
169065.6244 1.1229 -5.3688 3 140.1643225 89502 303371423 361522 a-Alanine, conf. I
169077.0429 0.8801 -5.2845 3 534.1483411 89502 303683830 683731 a-Alanine, conf. I
169077.0429 0.8801 -5.2845 3 534.1483411 89502 303683831 683732 a-Alanine, conf. I
169087.3312 0.0482 -4.9970 3 101.3960213 89502 30335 332 34 331 a-Alanine, conf. I
169087.3312 0.0482 -4.4224 3 101.3960213 89502 30335 332 34 431 a-Alanine, conf. I
169087.3312 0.0482 -4.4224 3 101.3960213 89502 30335 432 34 331 a-Alanine, conf. I
169087.3312 0.0482 -4.9970 3 101.3960213 89502 30335 432 34 431 a-Alanine, conf. I
169139.9473 3.3157 -5.8373 3 906.8567555 89502 303924151 924052 a-Alanine, conf. I
169140.2762 3.3151 -5.8373 3 906.8567555 89502 303924152 924053 a-Alanine, conf. I
169149.9323 10.7520 -6.2789 3 1152.1668645 89502 303A73374 A73275 a-Alanine, conf. I
169151.7448 0.2651 -5.1718 3 351.5939315 89502 303523715 523616 a-Alanine, conf. I
169151.7448 0.2651 -5.1718 3 351.5939315 89502 303523716 523617 a-Alanine, conf. I
169184.5366 10.6835 -6.2787 3 1152.1670645 89502 303A73474 A73375 a-Alanine, conf. I
169210.6096 0.0576 -5.4786 3 129.4772189 89502 3033124 7 3024 6 a-Alanine, conf. I
169210.6096 0.0576 -5.4786 3 129.4772189 89502 3033124 8 3024 7 a-Alanine, conf. I
169232.4465 1.0838 -5.5024 3 272.6004351 89502 30358 355 58 256 a-Alanine, conf. I
169232.4465 1.0838 -5.5024 3 272.6004351 89502 30358 455 58 356 a-Alanine, conf. I
169292.7762 0.8263 -5.2680 3 386.7344399 89502 30366 957 66 858 a-Alanine, conf. I
169292.7762 0.8263 -6.4836 3 386.7344399 89502 30366 957 66 958 a-Alanine, conf. I
169292.7762 0.8263 -6.4836 3 386.7344399 89502 303661057 66 858 a-Alanine, conf. I
169292.7762 0.8263 -5.2680 3 386.7344399 89502 303661057 66 958 a-Alanine, conf. I
169356.4940 0.2457 -5.1769 3 342.1185309 89502 303513714 513615 a-Alanine, conf. I
169356.4940 0.2457 -5.1769 3 342.1185309 89502 303513715 513616 a-Alanine, conf. I
169363.8496 5.8592 -5.8444 3 897.4152573 89502 303952768 952669 a-Alanine, conf. I
169364.2712 5.8586 -5.8443 3 897.4152573 89502 303952868 952769 a-Alanine, conf. I
169366.9128 3.4626 -5.5760 3 722.9915519 89502 303862264 862165 a-Alanine, conf. I
169366.9160 3.4626 -5.5760 3 722.9915519 89502 303862364 862265 a-Alanine, conf. I
169378.9996 0.0562 -5.4201 3 125.8250189 89502 3033123 8 3023 7 a-Alanine, conf. I
169378.9996 0.0562 -5.4201 3 125.8250189 89502 3033123 9 3023 8 a-Alanine, conf. I
169392.6430 2.4608 -5.4530 3 632.2089489 89502 303811962 811863 a-Alanine, conf. I
169392.6431 2.4608 -5.4530 3 632.2089489 89502 303812062 811963 a-Alanine, conf. I
169394.9205 0.0766 -4.7949 3 93.7118189 89502 30331 922 301021 a-Alanine, conf. I
169404.7025 0.0255 -6.4530 3 22.9128105 89502 30317 314 16 215 a-Alanine, conf. I
169419.4087 0.0480 -4.5538 3 98.5891201 89502 30333 627 32 726 a-Alanine, conf. I
169419.4929 0.0480 -5.0342 3 98.5891201 89502 30333 727 32 726 a-Alanine, conf. I
169419.6229 0.0480 -5.0342 3 98.5891201 89502 30333 627 32 626 a-Alanine, conf. I
169419.7071 0.0480 -4.5538 3 98.5891201 89502 30333 727 32 626 a-Alanine, conf. I
169426.4175 5.7609 -6.2018 3 1117.7394621 89502 303A34360 A34261 a-Alanine, conf. I
169437.2968 0.0253 -6.4529 3 22.9128105 89502 30317 414 16 115 a-Alanine, conf. I
169441.5762 5.7304 -6.2018 3 1117.7388621 89502 303A34361 A34262 a-Alanine, conf. I
169443.7892 7.4163 -6.3886 3 1221.7024651 89502 303A84464 A84365 a-Alanine, conf. I
169502.4686 7.2867 -6.3883 3 1221.7001651 89502 303A84465 A84366 a-Alanine, conf. I
169507.1732 0.8917 -5.3183 3 327.8379375 89502 30362 656 62 557 a-Alanine, conf. I
169507.1732 0.8917 -5.3183 3 327.8379375 89502 30362 756 62 657 a-Alanine, conf. I
169529.9666 0.8226 -5.2697 3 521.6795405 89502 303673829 673730 a-Alanine, conf. I
169529.9666 0.8226 -5.2697 3 521.6795405 89502 303673830 673731 a-Alanine, conf. I
169533.3741 2.2990 -5.6387 3 786.1593513 89502 303854045 853946 a-Alanine, conf. I
169533.3845 2.2990 -5.6387 3 786.1593513 89502 303854046 853947 a-Alanine, conf. I
169542.3019 1.1980 -6.2861 3 509.2247393 89502 303654025 644124 a-Alanine, conf. I
169542.3019 1.1980 -6.2861 3 509.2247393 89502 303654026 644123 a-Alanine, conf. I
169548.9434 0.2297 -5.1842 3 332.8291303 89502 303503713 503614 a-Alanine, conf. I
169548.9434 0.2297 -5.1842 3 332.8291303 89502 303503714 503615 a-Alanine, conf. I
169572.7358 0.0572 -5.3688 3 122.3357189 89502 3033122 9 3022 8 a-Alanine, conf. I
169572.7358 0.0572 -5.3688 3 122.3357189 89502 303312210 3022 9 a-Alanine, conf. I
169580.9135 9.7113 -6.1993 3 1107.6747633 89502 303A53273 A53174 a-Alanine, conf. I
169598.0846 9.6787 -6.1992 3 1107.6748633 89502 303A53373 A53274 a-Alanine, conf. I
169632.2159 1.4916 -5.4480 3 660.4192465 89502 303773938 773839 a-Alanine, conf. I
169632.2160 1.4916 -5.4480 3 660.4192465 89502 303773939 773840 a-Alanine, conf. I
169683.5748 6.4910 -5.9097 3 937.8275585 89502 303972869 972770 a-Alanine, conf. I
169684.4844 6.4895 -5.9097 3 937.8275585 89502 303972969 972870 a-Alanine, conf. I
169693.1543 1.4824 -5.9199 3 303.0193327 89502 303542133 541836 a-Alanine, conf. I
169729.6406 0.2173 -5.1941 3 323.7253297 89502 303493712 493613 a-Alanine, conf. I
169729.6406 0.2173 -5.1941 3 323.7253297 89502 303493713 493614 a-Alanine, conf. I
169797.3100 0.0606 -5.3233 3 119.0105189 89502 303312110 3021 9 a-Alanine, conf. I
169797.3100 0.0606 -5.3233 3 119.0105189 89502 303312111 302110 a-Alanine, conf. I
169835.2978 8.7812 -6.1226 3 1063.9907621 89502 303A33172 A33073 a-Alanine, conf. I
169843.7042 8.7659 -6.1226 3 1063.9907621 89502 303A33272 A33173 a-Alanine, conf. I
169872.4574 0.0134 -5.7037 3 44.7094105 89502 3031717 0 1616 0 a-Alanine, conf. I
169872.4650 0.0300 -4.5410 3 44.7094105 -89502 3031717 0 1616 1 a-Alanine, conf. I
169872.4650 0.0300 -4.5410 3 44.7094105 -89502 3031717 1 1616 0 a-Alanine, conf. I
169872.4574 0.0134 -5.7037 3 44.7094105 89502 3031717 1 1616 1 a-Alanine, conf. I
169874.9494 7.1829 -5.9778 3 979.0632597 89502 303992970 992871 a-Alanine, conf. I
169876.8844 7.1797 -5.9778 3 979.0632597 89502 303993070 992971 a-Alanine, conf. I
169879.1206 0.0461 -5.9394 3 47.2403141 89502 30323 518 22 418 a-Alanine, conf. I
169891.4526 0.9349 -5.2724 3 431.8466417 89502 303691158 691059 a-Alanine, conf. I
169891.4526 0.9349 -5.2724 3 431.8466417 89502 303691258 691159 a-Alanine, conf. I
169897.0153 1.2519 -6.4035 3 145.8037225 89502 303371720 371423 a-Alanine, conf. I
169899.1126 0.2089 -5.2068 3 314.8070291 89502 303483711 483612 a-Alanine, conf. I
169899.1126 0.2089 -5.2068 3 314.8070291 89502 303483712 483613 a-Alanine, conf. I
169913.8755 0.0453 -5.9392 3 47.2405141 89502 30323 618 22 518 a-Alanine, conf. I
169929.0452 7.9429 -6.0488 3 1021.1189609 89502 303A13071 A12972 a-Alanine, conf. I
169933.1058 7.9358 -6.0488 3 1021.1189609 89502 303A13171 A13072 a-Alanine, conf. I
169960.1162 0.7679 -5.2559 3 509.4002399 89502 303663828 663729 a-Alanine, conf. I
169960.1162 0.7679 -5.2559 3 509.4002399 89502 303663829 663730 a-Alanine, conf. I
170007.2223 1.9359 -5.3888 3 579.1679471 89502 303781761 781662 a-Alanine, conf. I
170007.2223 1.9359 -5.3888 3 579.1679471 89502 303781861 781762 a-Alanine, conf. I
170057.8667 0.2045 -5.2229 3 306.0740285 89502 303473710 473611 a-Alanine, conf. I
170057.8667 0.2045 -5.2229 3 306.0740285 89502 303473711 473612 a-Alanine, conf. I
170059.9467 0.0659 -5.2824 3 115.8511189 89502 303312011 302010 a-Alanine, conf. I
170059.9467 0.0659 -5.2824 3 115.8511189 89502 303312012 302011 a-Alanine, conf. I
170060.8880 1.2307 -6.3280 3 527.4501399 89502 303664125 654224 a-Alanine, conf. I
170060.8880 1.2307 -6.3280 3 527.4501399 89502 303664126 654223 a-Alanine, conf. I
170089.3688 1.1779 -5.6422 3 257.9376345 89502 30357 255 57 156 a-Alanine, conf. I
170089.3688 1.1779 -5.6422 3 257.9376345 89502 30357 355 57 256 a-Alanine, conf. I
170131.6131 0.9309 -6.4099 3 378.9960369 89502 303612041 602338 a-Alanine, conf. I
170136.4106 0.5328 -6.4108 3 125.7972213 89502 303351422 351125 a-Alanine, conf. I
170206.3918 0.2039 -5.2429 3 297.5261279 89502 3034637 9 463610 a-Alanine, conf. I
170206.3918 0.2039 -5.2429 3 297.5261279 89502 303463710 463611 a-Alanine, conf. I
170226.1480 1.1652 -5.2965 3 478.9679435 89502 303721359 721260 a-Alanine, conf. I
170226.1480 1.1652 -5.2965 3 478.9679435 89502 303721459 721360 a-Alanine, conf. I
170227.3129 3.1148 -5.8052 3 889.8357549 89502 303914150 914051 a-Alanine, conf. I
170227.4622 3.1145 -5.8052 3 889.8357549 89502 303914151 914052 a-Alanine, conf. I
170234.7555 4.2189 -5.9930 3 1000.3620585 89502 303974255 974156 a-Alanine, conf. I
170236.4398 4.2158 -5.9929 3 1000.3619585 89502 303974256 974157 a-Alanine, conf. I
170253.5039 3.8750 -5.6276 3 759.6421531 89502 303882365 882266 a-Alanine, conf. I
170253.5115 3.8750 -5.6276 3 759.6421531 89502 303882465 882366 a-Alanine, conf. I
170269.8779 0.0501 -5.0625 3 93.7118189 89502 303311022 301021 a-Alanine, conf. I
170272.0999 0.8934 -5.6850 3 285.5300309 89502 303512527 502624 a-Alanine, conf. I
170272.3340 0.8934 -5.6850 3 285.5300309 89502 303512526 502625 a-Alanine, conf. I
170273.8952 1.5031 -5.3362 3 528.0811453 89502 303751560 751461 a-Alanine, conf. I
170273.8952 1.5031 -5.3362 3 528.0811453 89502 303751660 751561 a-Alanine, conf. I
170276.0004 1.4031 -5.4263 3 646.2518459 89502 303763937 763838 a-Alanine, conf. I
170276.0005 1.4031 -5.4263 3 646.2518459 89502 303763938 763839 a-Alanine, conf. I
170287.6331 0.8773 -5.6508 3 272.5391303 89502 303502427 492524 a-Alanine, conf. I
170287.6975 1.8238 -5.9646 3 282.6153315 89502 303522131 521834 a-Alanine, conf. I
170288.6940 0.8776 -5.6508 3 272.5391303 89502 303502426 492525 a-Alanine, conf. I
170343.2354 0.9118 -5.7195 3 298.8621315 89502 303522627 512724 a-Alanine, conf. I
170343.2850 0.9118 -5.7195 3 298.8621315 89502 303522626 512725 a-Alanine, conf. I
170345.1595 0.2068 -5.2675 3 289.1631273 89502 3034537 8 4536 9 a-Alanine, conf. I
170345.1595 0.2068 -5.2675 3 289.1631273 89502 3034537 9 453610 a-Alanine, conf. I
170368.5274 0.7159 -5.2430 3 497.3102393 89502 303653827 653728 a-Alanine, conf. I
170368.5274 0.7159 -5.2430 3 497.3102393 89502 303653828 653729 a-Alanine, conf. I
170370.3928 0.0729 -5.2454 3 112.8593189 89502 303311913 301912 a-Alanine, conf. I
170370.3933 0.0729 -5.2454 3 112.8593189 89502 303311912 301911 a-Alanine, conf. I
170392.0143 2.1644 -5.6114 3 770.4728507 89502 303844044 843945 a-Alanine, conf. I
170392.0186 2.1644 -5.6114 3 770.4728507 89502 303844045 843946 a-Alanine, conf. I
170410.5844 0.8639 -5.6171 3 259.8903297 89502 303492327 482424 a-Alanine, conf. I
170415.1892 0.8651 -5.6171 3 259.8903297 89502 303492326 482425 a-Alanine, conf. I
170466.0405 0.8405 -5.2783 3 370.2351393 89502 30365 857 65 758 a-Alanine, conf. I
170466.0405 0.8405 -6.4866 3 370.2351393 89502 30365 857 65 858 a-Alanine, conf. I
170466.0405 0.8405 -6.4866 3 370.2351393 89502 30365 957 65 758 a-Alanine, conf. I
170466.0405 0.8405 -5.2783 3 370.2351393 89502 30365 957 65 858 a-Alanine, conf. I
170474.6250 0.2128 -5.2977 3 280.9847267 89502 3034437 7 4436 8 a-Alanine, conf. I
170474.6250 0.2128 -5.2977 3 280.9847267 89502 3034437 8 4436 9 a-Alanine, conf. I
170485.0898 0.9321 -5.7544 3 312.5348321 89502 303532727 522824 a-Alanine, conf. I
170485.1000 0.9321 -5.7544 3 312.5348321 89502 303532726 522825 a-Alanine, conf. I
170504.9516 2.3999 -6.0623 3 241.8978291 89502 303482028 481731 a-Alanine, conf. I
170507.3187 0.0582 -4.9758 3 103.7788219 89502 30336 234 35 233 a-Alanine, conf. I
170507.3187 0.0582 -4.3787 3 103.7788219 89502 30336 234 35 333 a-Alanine, conf. I
170507.3187 0.0582 -4.3787 3 103.7788219 89502 30336 334 35 233 a-Alanine, conf. I
170507.3187 0.0582 -4.9758 3 103.7788219 89502 30336 334 35 333 a-Alanine, conf. I
170511.5042 0.9680 -5.3590 3 312.2488369 89502 30361 556 61 457 a-Alanine, conf. I
170511.5042 0.9680 -5.3590 3 312.2488369 89502 30361 656 61 557 a-Alanine, conf. I
170553.7291 0.2651 -5.4783 3 181.1212255 89502 303421627 411724 a-Alanine, conf. I
170560.3892 2.7823 -5.4960 3 666.7288501 89502 303832063 831964 a-Alanine, conf. I
170560.3894 2.7823 -5.4960 3 666.7288501 89502 303832163 832064 a-Alanine, conf. I
170586.4733 1.2644 -6.3704 3 546.0118405 89502 303674225 664324 a-Alanine, conf. I
170586.4733 1.2644 -6.3704 3 546.0118405 89502 303674226 664323 a-Alanine, conf. I
170595.2277 0.2213 -5.3351 3 272.9909261 89502 3034337 6 4336 7 a-Alanine, conf. I
170595.2277 0.2213 -5.3351 3 272.9909261 89502 3034337 7 4336 8 a-Alanine, conf. I
170611.5255 0.0086 -5.7167 3 45.3753111 89502 3031816 2 1715 2 a-Alanine, conf. I
170611.4960 0.0300 -4.5754 3 45.3753111 -89502 3031816 2 1715 3 a-Alanine, conf. I
170611.4960 0.0300 -4.5754 3 45.3753111 -89502 3031816 3 1715 2 a-Alanine, conf. I
170611.5255 0.0086 -5.7167 3 45.3753111 89502 3031816 3 1715 3 a-Alanine, conf. I
170613.6392 1.0929 -5.4499 3 183.3979255 89502 303421725 411824 a-Alanine, conf. I
170667.1455 0.8536 -5.5837 3 247.5847291 89502 303482227 472324 a-Alanine, conf. I
170685.3607 0.9539 -5.7898 3 326.5473327 89502 303542827 532924 a-Alanine, conf. I
170685.3627 0.9539 -5.7898 3 326.5473327 89502 303542826 532925 a-Alanine, conf. I
170686.1951 0.8581 -5.5836 3 247.5846291 89502 303482226 472325 a-Alanine, conf. I
170707.3927 0.2318 -5.3816 3 265.1813255 89502 3034237 5 4236 6 a-Alanine, conf. I
170707.3927 0.2318 -5.3816 3 265.1813255 89502 3034237 6 4236 7 a-Alanine, conf. I
170742.2248 0.0812 -5.2117 3 110.0379189 89502 303311814 301813 a-Alanine, conf. I
170742.2350 0.0812 -5.2117 3 110.0379189 89502 303311813 301812 a-Alanine, conf. I
170756.1760 0.6664 -5.2311 3 485.4092387 89502 303643826 643727 a-Alanine, conf. I
170756.1760 0.6664 -5.2311 3 485.4092387 89502 303643827 643728 a-Alanine, conf. I
170784.9892 0.0482 -4.4945 3 101.6038207 89502 30334 529 33 628 a-Alanine, conf. I
170784.9906 0.0482 -5.0140 3 101.6038207 89502 30334 629 33 628 a-Alanine, conf. I
170784.9930 0.0482 -5.0140 3 101.6038207 89502 30334 529 33 528 a-Alanine, conf. I
170784.9944 0.0482 -4.4945 3 101.6038207 89502 30334 629 33 528 a-Alanine, conf. I
170811.5306 0.2439 -5.4406 3 257.5559249 89502 3034137 4 4136 5 a-Alanine, conf. I
170811.5306 0.2439 -5.4406 3 257.5559249 89502 3034137 5 4136 6 a-Alanine, conf. I
170888.5865 1.3195 -5.4054 3 632.2763453 89502 303753936 753837 a-Alanine, conf. I
170888.5865 1.3195 -5.4054 3 632.2763453 89502 303753937 753838 a-Alanine, conf. I
170903.0028 1.2740 -5.9075 3 243.5020339 89502 30356 155 56 056 a-Alanine, conf. I
170903.0028 1.2740 -5.9075 3 243.5020339 89502 30356 255 56 156 a-Alanine, conf. I
170908.0390 0.2571 -5.5176 3 250.1144243 89502 3034037 3 4036 4 a-Alanine, conf. I
170908.0390 0.2571 -5.5176 3 250.1144243 89502 3034037 4 4036 5 a-Alanine, conf. I
170929.5980 5.3689 -6.1625 3 1098.6252615 89502 303A24359 A24260 a-Alanine, conf. I
170934.4293 0.9771 -5.8256 3 340.8993333 89502 303552927 543024 a-Alanine, conf. I
170934.4297 0.9771 -5.8256 3 340.8993333 89502 303552926 543025 a-Alanine, conf. I
170937.2216 5.3537 -6.1624 3 1098.6249615 89502 303A24360 A24261 a-Alanine, conf. I
170953.9172 3.2308 -6.1385 3 217.7164279 89502 303461729 461432 a-Alanine, conf. I
170997.3024 0.2711 -5.6228 3 242.8567237 89502 3033937 2 3936 3 a-Alanine, conf. I
170997.3024 0.2711 -5.6228 3 242.8567237 89502 3033937 3 3936 4 a-Alanine, conf. I
171036.5280 0.5951 -6.4301 3 131.7032219 89502 303361323 351421 a-Alanine, conf. I
171044.2681 4.3238 -5.6821 3 797.1322543 89502 303902466 902367 a-Alanine, conf. I
171044.2860 4.3238 -5.6821 3 797.1322543 89502 303902566 902467 a-Alanine, conf. I
171079.6932 0.2856 -5.7794 3 235.7826231 89502 3033837 1 3836 2 a-Alanine, conf. I
171079.6932 0.2856 -5.7794 3 235.7826231 89502 3033837 2 3836 3 a-Alanine, conf. I
171086.1544 0.8454 -5.5507 3 235.6236285 89502 303472127 462224 a-Alanine, conf. I
171102.2836 0.0486 -5.0576 3 93.6549189 89502 30331 922 30 921 a-Alanine, conf. I
171118.2479 1.2992 -6.4135 3 564.9096411 89502 303684325 674424 a-Alanine, conf. I
171118.2479 1.2992 -6.4135 3 564.9096411 89502 303684326 674423 a-Alanine, conf. I
171123.9837 0.6193 -5.2202 3 473.6968381 89502 303633825 633726 a-Alanine, conf. I
171123.9837 0.6193 -5.2202 3 473.6968381 89502 303633826 633727 a-Alanine, conf. I
171155.5719 0.3005 -6.0610 3 228.8920225 89502 3033737 0 3736 1 a-Alanine, conf. I
171155.5719 0.3005 -6.0610 3 228.8920225 89502 3033737 1 3736 2 a-Alanine, conf. I
171160.8319 0.8610 -5.5503 3 235.6235285 89502 303472126 462225 a-Alanine, conf. I
171177.4720 6.8614 -6.3458 3 1201.6377645 89502 303A74463 A74364 a-Alanine, conf. I
171190.9363 0.8851 -5.2712 3 414.6654411 89502 303681058 68 959 a-Alanine, conf. I
171190.9363 0.8851 -5.2712 3 414.6654411 89502 303681158 681059 a-Alanine, conf. I
171195.1165 0.0911 -5.1806 3 107.3906189 89502 303311715 301714 a-Alanine, conf. I
171195.2920 0.0911 -5.1806 3 107.3906189 89502 303311714 301713 a-Alanine, conf. I
171208.2006 6.7940 -6.3457 3 1201.6366645 89502 303A74464 A74365 a-Alanine, conf. I
171208.7539 2.0386 -5.5849 3 754.9805501 89502 303834043 833944 a-Alanine, conf. I
171208.7557 2.0386 -5.5849 3 754.9805501 89502 303834044 833945 a-Alanine, conf. I
171212.8172 0.0830 -4.9937 3 52.9130141 89502 303231013 22 914 a-Alanine, conf. I
171224.6599 1.0014 -5.8619 3 355.5902339 89502 303563027 553124 a-Alanine, conf. I
171224.6600 1.0014 -5.8619 3 355.5902339 89502 303563026 553125 a-Alanine, conf. I
171242.4053 0.0355 -6.0154 3 45.4651141 89502 30323 419 22 319 a-Alanine, conf. I
171244.6398 0.0355 -6.0154 3 45.4651141 89502 30323 519 22 419 a-Alanine, conf. I
171259.6055 2.9293 -5.7740 3 873.0112543 89502 303904149 904050 a-Alanine, conf. I
171259.6722 2.9292 -5.7740 3 873.0112543 89502 303904150 904051 a-Alanine, conf. I
171265.7579 0.1429 -5.7195 3 61.3662153 89502 30325 916 24 816 a-Alanine, conf. I
171334.7044 0.0078 -5.7274 3 46.3950117 89502 3031915 4 1814 4 a-Alanine, conf. I
171334.7170 0.0300 -4.6124 3 46.3950117 -89502 3031915 5 1814 4 a-Alanine, conf. I
171334.7170 0.0300 -4.6124 3 46.3950117 -89502 3031915 4 1814 5 a-Alanine, conf. I
171334.7045 0.0078 -5.7274 3 46.3950117 89502 3031915 5 1814 5 a-Alanine, conf. I
171337.9542 0.3571 -6.3531 3 134.4491219 89502 303361522 361225 a-Alanine, conf. I
171345.7536 2.2063 -5.4259 3 612.3887483 89502 303801862 801763 a-Alanine, conf. I
171345.7537 2.2063 -5.4259 3 612.3887483 89502 303801962 801863 a-Alanine, conf. I
171374.6271 0.2759 -6.4158 3 130.3999219 89502 303361224 351322 a-Alanine, conf. I
171386.1774 0.0495 -4.6710 3 97.4656195 89502 30332 824 31 923 a-Alanine, conf. I
171430.7677 0.0494 -5.0458 3 97.4656195 89502 30332 924 31 923 a-Alanine, conf. I
171453.9153 0.5444 -6.4672 3 137.4084225 89502 303371225 361323 a-Alanine, conf. I
171465.6336 1.0550 -5.4180 3 296.8820363 89502 30360 456 60 357 a-Alanine, conf. I
171465.6336 1.0550 -5.4180 3 296.8820363 89502 30360 556 60 457 a-Alanine, conf. I
171471.5432 1.2405 -5.3854 3 618.4922447 89502 303743935 743836 a-Alanine, conf. I
171471.5432 1.2405 -5.3854 3 618.4922447 89502 303743936 743837 a-Alanine, conf. I
171472.8225 0.5746 -5.2103 3 462.1728375 89502 303623824 623725 a-Alanine, conf. I
171472.8225 0.5746 -5.2103 3 462.1728375 89502 303623825 623726 a-Alanine, conf. I
171476.2490 3.9557 -5.9578 3 982.3952579 89502 303964254 964155 a-Alanine, conf. I
171477.0483 3.9543 -5.9577 3 982.3951579 89502 303964255 964156 a-Alanine, conf. I
171484.7855 0.0494 -5.0455 3 97.4623195 89502 30332 824 31 823 a-Alanine, conf. I
171491.4703 3.2551 -6.4674 3 414.1193387 89502 303642044 632341 a-Alanine, conf. I
171529.3758 0.0496 -4.6702 3 97.4623195 89502 30332 924 31 823 a-Alanine, conf. I
171549.9040 1.0268 -5.8986 3 370.6198345 89502 303573126 563225 a-Alanine, conf. I
171549.9040 1.0268 -5.8986 3 370.6198345 89502 303573127 563224 a-Alanine, conf. I
171580.4906 0.8832 -5.2960 3 353.9526387 89502 30364 757 64 658 a-Alanine, conf. I
171580.4906 0.8832 -5.2960 3 353.9526387 89502 30364 857 64 758 a-Alanine, conf. I
171584.2870 1.9488 -5.8133 3 214.4734279 89502 303461631 451728 a-Alanine, conf. I
171622.7366 13.1849 -6.4703 3 1264.0038675 89502 303B23577 B23478 a-Alanine, conf. I
171644.6519 3.1331 -5.5422 3 702.0964513 89502 303852164 852065 a-Alanine, conf. I
171644.6524 3.1331 -5.5422 3 702.0964513 89502 303852264 852165 a-Alanine, conf. I
171655.4931 1.3350 -6.4571 3 584.1435417 89502 303694425 684524 a-Alanine, conf. I
171655.4931 1.3350 -6.4571 3 584.1435417 89502 303694426 684523 a-Alanine, conf. I
171664.0764 1.0526 -5.2868 3 461.1131429 89502 303711259 711160 a-Alanine, conf. I
171664.0764 1.0526 -5.2868 3 461.1131429 89502 303711359 711260 a-Alanine, conf. I
171683.5855 0.8345 -5.5184 3 224.0091279 89502 303462027 452124 a-Alanine, conf. I
171697.1924 13.0194 -6.4700 3 1264.0042675 89502 303B23677 B23578 a-Alanine, conf. I
171734.8263 4.8123 -5.7396 3 835.4588555 89502 303922567 922468 a-Alanine, conf. I
171734.8672 4.8122 -5.7396 3 835.4588555 89502 303922667 922568 a-Alanine, conf. I
171758.5665 0.1025 -5.1518 3 104.9226189 89502 303311616 301615 a-Alanine, conf. I
171761.0235 0.1027 -5.1518 3 104.9226189 89502 303311615 301614 a-Alanine, conf. I
171768.4756 1.7253 -5.3667 3 559.9929465 89502 303771661 771562 a-Alanine, conf. I
171768.4756 1.7253 -5.3667 3 559.9929465 89502 303771761 771662 a-Alanine, conf. I
171803.5188 0.5322 -5.2015 3 450.8369369 89502 303613823 613724 a-Alanine, conf. I
171803.5188 0.5322 -5.2015 3 450.8369369 89502 303613824 613725 a-Alanine, conf. I
171864.7545 1.3379 -5.3197 3 509.5614447 89502 303741460 741361 a-Alanine, conf. I
171864.7545 1.3379 -5.3197 3 509.5614447 89502 303741560 741461 a-Alanine, conf. I
171905.1469 1.0531 -5.9359 3 385.9877351 89502 303583226 573325 a-Alanine, conf. I
171905.1469 1.0531 -5.9359 3 385.9877351 89502 303583227 573324 a-Alanine, conf. I
171924.1263 0.0778 -4.9547 3 105.9756225 89502 30337 136 36 135 a-Alanine, conf. I
171924.1263 0.0778 -4.3385 3 105.9756225 89502 30337 136 36 235 a-Alanine, conf. I
171924.1263 0.0778 -4.3385 3 105.9756225 89502 30337 236 36 135 a-Alanine, conf. I
171924.1263 0.0778 -4.9547 3 105.9756225 89502 30337 236 36 235 a-Alanine, conf. I
171958.8479 0.8853 -5.5169 3 224.0087279 89502 303462026 452125 a-Alanine, conf. I
171977.2411 0.0716 -4.7793 3 93.6549189 89502 303311022 30 921 a-Alanine, conf. I
171986.0120 1.9207 -5.5592 3 739.6818495 89502 303824042 823943 a-Alanine, conf. I
171986.0127 1.9207 -5.5592 3 739.6818495 89502 303824043 823944 a-Alanine, conf. I
172017.7800 0.0300 -4.6537 3 47.7760123 -89502 3032014 7 1913 6 a-Alanine, conf. I
172017.7886 0.0094 -5.7359 3 47.7760123 89502 3032014 6 1913 6 a-Alanine, conf. I
172017.7950 0.0094 -5.7359 3 47.7760123 89502 3032014 7 1913 7 a-Alanine, conf. I
172017.7800 0.0300 -4.6537 3 47.7760123 -89502 3032014 6 1913 7 a-Alanine, conf. I
172026.3265 1.1655 -5.3661 3 604.8992441 89502 303733934 733835 a-Alanine, conf. I
172026.3265 1.1655 -5.3661 3 604.8992441 89502 303733935 733836 a-Alanine, conf. I
172116.8577 0.4920 -5.1939 3 439.6889363 89502 303603822 603723 a-Alanine, conf. I
172116.8577 0.4920 -5.1939 3 439.6889363 89502 303603823 603724 a-Alanine, conf. I
172145.9815 0.0192 -4.8573 3 54.2878141 89502 303231113 221012 a-Alanine, conf. I
172185.6853 0.2179 -5.0748 3 91.4945183 89502 303301218 291217 a-Alanine, conf. I
172185.7434 0.0488 -4.4427 3 104.4169213 89502 30335 431 34 530 a-Alanine, conf. I
172185.7435 0.0488 -4.9936 3 104.4169213 89502 30335 431 34 430 a-Alanine, conf. I
172185.7435 0.0488 -4.4427 3 104.4169213 89502 30335 531 34 430 a-Alanine, conf. I
172185.7435 0.0488 -4.9936 3 104.4169213 89502 30335 531 34 530 a-Alanine, conf. I
172232.1416 1.6019 -6.4064 3 390.5207375 89502 303622042 612339 a-Alanine, conf. I
172240.5364 2.7574 -5.7436 3 856.3824537 89502 303894148 894049 a-Alanine, conf. I
172240.5657 2.7573 -5.7436 3 856.3824537 89502 303894149 894050 a-Alanine, conf. I
172286.2525 1.0803 -5.9737 3 401.6936357 89502 303593326 583425 a-Alanine, conf. I
172286.2525 1.0803 -5.9737 3 401.6936357 89502 303593327 583424 a-Alanine, conf. I
172320.2998 5.3439 -5.7999 3 874.6190567 89502 303942668 942569 a-Alanine, conf. I
172320.3921 5.3438 -5.7999 3 874.6190567 89502 303942768 942669 a-Alanine, conf. I
172323.5773 0.0356 -6.1208 3 43.5491141 89502 30323 320 22 220 a-Alanine, conf. I
172323.6762 0.0356 -6.1208 3 43.5491141 89502 30323 420 22 320 a-Alanine, conf. I
172347.6306 5.0177 -6.1241 3 1079.7114609 89502 303A14358 A14259 a-Alanine, conf. I
172351.4037 5.0102 -6.1241 3 1079.7112609 89502 303A14359 A14260 a-Alanine, conf. I
172366.3495 11.8945 -6.3844 3 1217.5011663 89502 303B03476 B03377 a-Alanine, conf. I
172372.2962 1.1486 -5.5056 3 281.7392357 89502 30359 356 59 257 a-Alanine, conf. I
172372.2962 1.1486 -5.5056 3 281.7392357 89502 30359 456 59 357 a-Alanine, conf. I
172403.6849 11.8145 -6.3842 3 1217.5012663 89502 303B03576 B03477 a-Alanine, conf. I
172411.3934 0.8069 -5.4879 3 212.7440273 89502 303451927 442024 a-Alanine, conf. I
172413.5858 0.4541 -5.1875 3 428.7283357 89502 303593821 593722 a-Alanine, conf. I
172413.5858 0.4541 -5.1875 3 428.7283357 89502 303593822 593723 a-Alanine, conf. I
172425.0770 0.8709 -5.2749 3 397.6971405 89502 30367 958 67 859 a-Alanine, conf. I
172425.0770 0.8709 -5.2749 3 397.6971405 89502 303671058 67 959 a-Alanine, conf. I
172443.7193 0.0158 -5.7477 3 54.2878141 89502 303231112 221012 a-Alanine, conf. I
172473.7244 0.1159 -5.1247 3 102.6415189 89502 303311517 301516 a-Alanine, conf. I
172501.3031 0.1178 -5.1246 3 102.6421189 89502 303311516 301515 a-Alanine, conf. I
172537.4725 2.4833 -6.4282 3 402.2312381 89502 303632043 622340 a-Alanine, conf. I
172554.2913 1.0944 -5.3477 3 591.4969435 89502 303723933 723834 a-Alanine, conf. I
172554.2913 1.0944 -5.3477 3 591.4969435 89502 303723934 723835 a-Alanine, conf. I
172607.4303 2.5034 -5.4665 3 646.4623495 89502 303821963 821864 a-Alanine, conf. I
172607.4303 2.5034 -5.4665 3 646.4623495 89502 303822063 821964 a-Alanine, conf. I
172609.8651 0.0118 -4.7023 3 49.5310129 89502 3032113 9 2012 8 a-Alanine, conf. I
172610.0061 0.0118 -5.7418 3 49.5310129 89502 3032113 8 2012 8 a-Alanine, conf. I
172610.6774 0.0118 -5.7418 3 49.5309129 89502 3032113 9 2012 9 a-Alanine, conf. I
172610.8183 0.0118 -4.7023 3 49.5309129 89502 3032113 8 2012 9 a-Alanine, conf. I
172615.5284 0.0510 -4.5882 3 100.9683201 89502 30333 726 32 825 a-Alanine, conf. I
172616.9875 0.0510 -5.0282 3 100.9683201 89502 30333 826 32 825 a-Alanine, conf. I
172619.0396 0.0510 -5.0281 3 100.9682201 89502 30333 726 32 725 a-Alanine, conf. I
172620.4986 0.0511 -4.5881 3 100.9682201 89502 30333 826 32 725 a-Alanine, conf. I
172639.5995 0.9479 -5.3234 3 337.8889381 89502 30363 657 63 558 a-Alanine, conf. I
172639.5995 0.9479 -5.3234 3 337.8889381 89502 30363 757 63 658 a-Alanine, conf. I
172642.3397 3.5154 -5.5915 3 738.3091525 89502 303872265 872166 a-Alanine, conf. I
172642.3411 3.5154 -5.5915 3 738.3091525 89502 303872365 872266 a-Alanine, conf. I
172653.1688 3.7148 -5.9234 3 964.6261573 89502 303954253 954154 a-Alanine, conf. I
172653.5420 3.7141 -5.9234 3 964.6261573 89502 303954254 954155 a-Alanine, conf. I
172661.7494 0.0474 -5.0508 3 89.3197183 89502 303301020 291019 a-Alanine, conf. I
172689.7751 1.1083 -6.0120 3 417.7373363 89502 303603426 593525 a-Alanine, conf. I
172689.7751 1.1083 -6.0120 3 417.7373363 89502 303603427 593524 a-Alanine, conf. I
172694.4146 0.4185 -5.1823 3 417.9552351 89502 303583820 583721 a-Alanine, conf. I
172694.4146 0.4185 -5.1823 3 417.9552351 89502 303583821 583722 a-Alanine, conf. I
172725.9932 1.8100 -5.5342 3 724.5763489 89502 303814041 813942 a-Alanine, conf. I
172725.9935 1.8100 -5.5342 3 724.5763489 89502 303814042 813943 a-Alanine, conf. I
172795.2244 5.9230 -5.8631 3 914.6095579 89502 303962769 962670 a-Alanine, conf. I
172795.4295 5.9226 -5.8631 3 914.6095579 89502 303962869 962770 a-Alanine, conf. I
172803.1733 6.3777 -6.3041 3 1181.7754639 89502 303A64462 A64363 a-Alanine, conf. I
172819.0078 6.3431 -6.3040 3 1181.7748639 89502 303A64463 A64364 a-Alanine, conf. I
172831.8347 0.7478 -5.1692 3 116.6992207 89502 303341222 331321 a-Alanine, conf. I
172845.2439 0.0314 -5.7048 3 62.2193153 89502 303251015 24 915 a-Alanine, conf. I
172850.2588 1.2699 -5.3842 3 156.3162237 89502 303391524 381623 a-Alanine, conf. I
172876.3183 0.5577 -5.4515 3 191.2855261 89502 303431727 421824 a-Alanine, conf. I
172905.3402 10.7574 -6.3014 3 1171.7978651 89502 303A83375 A83276 a-Alanine, conf. I
172923.8110 10.7193 -6.3013 3 1171.7979651 89502 303A83475 A83376 a-Alanine, conf. I
172947.0846 0.1064 -5.8104 3 54.4633147 89502 30324 717 23 617 a-Alanine, conf. I
172960.0232 0.3852 -5.1785 3 407.3690345 89502 303573819 573720 a-Alanine, conf. I
172960.0232 0.3852 -5.1785 3 407.3690345 89502 303573820 573721 a-Alanine, conf. I
172970.5489 0.0142 -4.7642 3 51.6817135 89502 303221211 211110 a-Alanine, conf. I
172979.5449 0.0142 -5.7451 3 51.6817135 89502 303221210 211110 a-Alanine, conf. I
173013.0106 0.0145 -5.7450 3 51.6803135 89502 303221211 211111 a-Alanine, conf. I
173022.0065 0.0146 -4.7640 3 51.6803135 89502 303221210 211111 a-Alanine, conf. I
173022.6773 0.0702 -5.0562 3 95.3739189 89502 303311121 301120 a-Alanine, conf. I
173028.9719 0.9721 -5.2808 3 443.4670423 89502 303701159 701060 a-Alanine, conf. I
173028.9719 0.9721 -5.2808 3 443.4670423 89502 303701259 701160 a-Alanine, conf. I
173030.7129 0.7313 -5.4625 3 201.8330267 89502 303441827 431924 a-Alanine, conf. I
173056.7013 1.0269 -5.3300 3 578.2850429 89502 303713932 713833 a-Alanine, conf. I
173056.7013 1.0269 -5.3300 3 578.2850429 89502 303713933 713834 a-Alanine, conf. I
173112.8182 1.1371 -6.0509 3 434.1184369 89502 303613526 603625 a-Alanine, conf. I
173112.8182 1.1371 -6.0509 3 434.1184369 89502 303613527 603624 a-Alanine, conf. I
173153.4396 6.5543 -5.9292 3 955.4272591 89502 303982870 982771 a-Alanine, conf. I
173153.8886 6.5536 -5.9292 3 955.4272591 89502 303982970 982871 a-Alanine, conf. I
173173.4140 2.5975 -5.7140 3 839.9489531 89502 303884147 884048 a-Alanine, conf. I
173173.4266 2.5975 -5.7140 3 839.9489531 89502 303884148 884049 a-Alanine, conf. I
173191.5689 1.9728 -5.4011 3 592.7623477 89502 303791762 791663 a-Alanine, conf. I
173191.5689 1.9728 -5.4011 3 592.7623477 89502 303791862 791763 a-Alanine, conf. I
173211.0604 0.3543 -5.1762 3 396.9697339 89502 303563818 563719 a-Alanine, conf. I
173211.0604 0.3543 -5.1762 3 396.9697339 89502 303563819 563720 a-Alanine, conf. I
173219.0682 0.0452 -6.2782 3 41.4998141 89502 30323 221 22 121 a-Alanine, conf. I
173219.0711 0.0452 -6.2782 3 41.4998141 89502 30323 321 22 221 a-Alanine, conf. I
173230.4539 0.0201 -5.7447 3 54.2516141 89502 303231113 221013 a-Alanine, conf. I
173234.0026 1.2462 -5.6450 3 266.8219351 89502 30358 256 58 157 a-Alanine, conf. I
173234.0026 1.2462 -5.6450 3 266.8219351 89502 30358 356 58 257 a-Alanine, conf. I
173261.6909 9.7422 -6.2214 3 1126.8987639 89502 303A63274 A63175 a-Alanine, conf. I
173270.7089 9.7244 -6.2213 3 1126.8988639 89502 303A63374 A63275 a-Alanine, conf. I
173332.9982 0.1074 -4.9339 3 107.9884231 89502 30338 038 37 037 a-Alanine, conf. I
173332.9982 0.1074 -4.3011 3 107.9884231 89502 30338 038 37 137 a-Alanine, conf. I
173332.9982 0.1074 -4.3011 3 107.9884231 89502 30338 138 37 037 a-Alanine, conf. I
173332.9982 0.1074 -4.9339 3 107.9884231 89502 30338 138 37 137 a-Alanine, conf. I
173354.5249 0.9581 -5.4825 3 212.7423273 89502 303451926 442025 a-Alanine, conf. I
173360.0957 0.1291 -5.0991 3 100.5578189 89502 303311418 301417 a-Alanine, conf. I
173373.3840 1.1983 -5.3062 3 491.2460441 89502 303731360 731261 a-Alanine, conf. I
173373.3840 1.1983 -5.3062 3 491.2460441 89502 303731460 731361 a-Alanine, conf. I
173387.9421 7.2439 -5.9980 3 997.0686603 89502 303A02971 A02872 a-Alanine, conf. I
173388.9121 7.2422 -5.9980 3 997.0686603 89502 303A03071 A02972 a-Alanine, conf. I
173415.3552 0.0722 -5.7689 3 55.8917147 89502 30324 916 23 816 a-Alanine, conf. I
173430.7154 1.7058 -5.5101 3 709.6635483 89502 303804040 803941 a-Alanine, conf. I
173430.7155 1.7058 -5.5101 3 709.6635483 89502 303804041 803942 a-Alanine, conf. I
173436.3111 1.5364 -5.3472 3 541.0171459 89502 303761561 761462 a-Alanine, conf. I
173436.3111 1.5364 -5.3472 3 541.0171459 89502 303761661 761562 a-Alanine, conf. I
173448.1472 0.3261 -5.1754 3 386.7570333 89502 303553817 553718 a-Alanine, conf. I
173448.1472 0.3261 -5.1754 3 386.7570333 89502 303553818 553719 a-Alanine, conf. I
173452.3077 8.8277 -6.1441 3 1082.8081627 89502 303A43173 A43074 a-Alanine, conf. I
173456.6533 8.8195 -6.1441 3 1082.8082627 89502 303A43273 A43174 a-Alanine, conf. I
173469.9422 2.2195 -6.1910 3 204.2863267 89502 303441925 441628 a-Alanine, conf. I
173490.6878 7.9987 -6.0697 3 1039.5301615 89502 303A23072 A22973 a-Alanine, conf. I
173492.7545 7.9950 -6.0697 3 1039.5301615 89502 303A23172 A23073 a-Alanine, conf. I
173528.1917 0.0264 -4.8528 3 54.2516141 89502 303231112 221013 a-Alanine, conf. I
173534.7390 0.9627 -5.3133 3 565.2631423 89502 303703931 703832 a-Alanine, conf. I
173534.7390 0.9627 -5.3133 3 565.2631423 89502 303703932 703833 a-Alanine, conf. I
173550.0601 3.9314 -5.6439 3 775.3641537 89502 303892366 892267 a-Alanine, conf. I
173550.0635 3.9314 -5.6439 3 775.3641537 89502 303892466 892367 a-Alanine, conf. I
173552.9273 1.1668 -6.0903 3 450.8369375 89502 303623626 613725 a-Alanine, conf. I
173552.9273 1.1668 -6.0903 3 450.8369375 89502 303623627 613724 a-Alanine, conf. I
173597.9547 0.8902 -5.2848 3 380.9438399 89502 30366 858 66 759 a-Alanine, conf. I
173597.9547 0.8902 -5.2848 3 380.9438399 89502 30366 958 66 859 a-Alanine, conf. I
173599.6193 0.1435 -5.0979 3 100.5637189 89502 303311417 301416 a-Alanine, conf. I
173600.9872 0.0527 -4.9731 3 107.0362219 89502 30336 333 35 332 a-Alanine, conf. I
173600.9872 0.0527 -4.3965 3 107.0362219 89502 30336 333 35 432 a-Alanine, conf. I
173600.9872 0.0527 -4.3965 3 107.0362219 89502 30336 433 35 332 a-Alanine, conf. I
173600.9872 0.0527 -4.9731 3 107.0362219 89502 30336 433 35 432 a-Alanine, conf. I
173646.5195 1.0282 -5.3636 3 322.0457375 89502 30362 557 62 458 a-Alanine, conf. I
173646.5195 1.0282 -5.3636 3 322.0457375 89502 30362 657 62 558 a-Alanine, conf. I
173671.8787 0.3006 -5.1763 3 376.7307327 89502 303543816 543717 a-Alanine, conf. I
173671.8787 0.3006 -5.1763 3 376.7307327 89502 303543817 543718 a-Alanine, conf. I
173688.5256 4.7002 -6.0866 3 1060.9968603 89502 303A04357 A04258 a-Alanine, conf. I
173690.3635 4.6966 -6.0866 3 1060.9967603 89502 303A04358 A04259 a-Alanine, conf. I
173770.3350 3.4932 -5.8899 3 947.0541567 89502 303944252 944153 a-Alanine, conf. I
173770.5064 3.4929 -5.8899 3 947.0541567 89502 303944253 944154 a-Alanine, conf. I
173789.7675 2.8285 -5.5103 3 681.3862507 89502 303842064 841965 a-Alanine, conf. I
173789.7676 2.8285 -5.5103 3 681.3862507 89502 303842164 842065 a-Alanine, conf. I
173882.8259 0.2782 -5.1790 3 366.8905321 89502 303533815 533716 a-Alanine, conf. I
173882.8259 0.2782 -5.1790 3 366.8905321 89502 303533816 533717 a-Alanine, conf. I
173924.4356 0.0519 -4.5220 3 104.2403207 89502 30334 628 33 727 a-Alanine, conf. I
173924.4684 0.0519 -5.0093 3 104.2403207 89502 30334 728 33 727 a-Alanine, conf. I
173924.5198 0.0519 -5.0093 3 104.2403207 89502 30334 628 33 627 a-Alanine, conf. I
173924.5526 0.0519 -4.5220 3 104.2403207 89502 30334 728 33 627 a-Alanine, conf. I
173970.6348 0.1172 -6.3289 3 165.1605195 89502 3033231 1 3131 0 a-Alanine, conf. I
173970.6348 0.1172 -6.3289 3 165.1605195 89502 3033231 2 3131 1 a-Alanine, conf. I
173989.5129 0.9016 -5.2974 3 552.4309417 89502 303693930 693831 a-Alanine, conf. I
173989.5129 0.9016 -5.2974 3 552.4309417 89502 303693931 693832 a-Alanine, conf. I
174008.0074 1.1972 -6.1303 3 467.8926381 89502 303633726 623825 a-Alanine, conf. I
174008.0074 1.1972 -6.1303 3 467.8926381 89502 303633727 623824 a-Alanine, conf. I
174010.1792 0.0295 -5.8031 3 34.1397117 89502 30319 812 18 513 a-Alanine, conf. I
174050.8866 0.1051 -6.0245 3 160.3897195 89502 3033230 2 3130 1 a-Alanine, conf. I
174050.8866 0.1051 -6.0245 3 160.3897195 89502 3033230 3 3130 2 a-Alanine, conf. I
174053.0662 1.3457 -5.9098 3 252.1318345 89502 30357 156 57 057 a-Alanine, conf. I
174053.0662 1.3457 -5.9098 3 252.1318345 89502 30357 256 57 157 a-Alanine, conf. I
174061.2079 2.4485 -5.6851 3 823.7101525 89502 303874146 874047 a-Alanine, conf. I
174061.2133 2.4485 -5.6851 3 823.7101525 89502 303874147 874048 a-Alanine, conf. I
174081.5373 0.2592 -5.1838 3 357.2362315 89502 303523814 523715 a-Alanine, conf. I
174081.5373 0.2592 -5.1838 3 357.2362315 89502 303523815 523716 a-Alanine, conf. I
174102.0318 1.6075 -5.4867 3 694.9431477 89502 303794039 793940 a-Alanine, conf. I
174102.0319 1.6075 -5.4867 3 694.9431477 89502 303794040 793941 a-Alanine, conf. I
174140.3511 0.0940 -5.8454 3 155.7780195 89502 3033229 3 3129 2 a-Alanine, conf. I
174140.3511 0.0940 -5.8454 3 155.7780195 89502 3033229 4 3129 3 a-Alanine, conf. I
174171.6209 2.9717 -6.2206 3 198.4766267 89502 303441628 441331 a-Alanine, conf. I
174229.0509 0.1314 -5.0760 3 98.6790189 89502 303311319 301318 a-Alanine, conf. I
174240.3906 0.0840 -5.7179 3 151.3258195 89502 3033228 4 3128 3 a-Alanine, conf. I
174240.3906 0.0840 -5.7179 3 151.3258195 89502 3033228 5 3128 4 a-Alanine, conf. I
174261.1679 6.6753 -6.4177 3 387.2451375 89502 303622043 612140 a-Alanine, conf. I
174268.5403 0.2437 -5.1908 3 347.7677309 89502 303513813 513714 a-Alanine, conf. I
174268.5403 0.2437 -5.1908 3 347.7677309 89502 303513814 513715 a-Alanine, conf. I
174325.6912 0.9269 -5.2791 3 426.0317417 89502 303691059 69 960 a-Alanine, conf. I
174325.6912 0.9269 -5.2791 3 426.0317417 89502 303691159 691060 a-Alanine, conf. I
174328.0092 0.0771 -5.8045 3 54.4788147 89502 30324 817 23 717 a-Alanine, conf. I
174333.6790 5.9492 -6.2634 3 1162.1142633 89502 303A54461 A54362 a-Alanine, conf. I
174334.7961 0.2838 -5.5044 3 189.0890261 89502 303431628 421725 a-Alanine, conf. I
174341.7104 5.9318 -6.2634 3 1162.1139633 89502 303A54462 A54363 a-Alanine, conf. I
174352.6419 0.0755 -5.6188 3 147.0334195 89502 3033227 5 3127 4 a-Alanine, conf. I
174352.6419 0.0755 -5.6188 3 147.0334195 89502 3033227 6 3127 5 a-Alanine, conf. I
174356.7526 0.0629 -4.7373 3 99.3914195 89502 30332 923 311022 a-Alanine, conf. I
174364.0784 4.3836 -5.6993 3 813.2587549 89502 303912467 912368 a-Alanine, conf. I
174364.0867 4.3836 -5.6993 3 813.2587549 89502 303912567 912468 a-Alanine, conf. I
174383.8952 0.1077 -5.0600 3 96.9823189 89502 303311220 301219 a-Alanine, conf. I
174422.0649 0.8434 -5.2824 3 539.7881411 89502 303683929 683830 a-Alanine, conf. I
174422.0649 0.8434 -5.2824 3 539.7881411 89502 303683930 683831 a-Alanine, conf. I
174444.3426 0.2322 -5.2003 3 338.4846303 89502 303503812 503713 a-Alanine, conf. I
174444.3426 0.2322 -5.2003 3 338.4846303 89502 303503813 503714 a-Alanine, conf. I
174476.2584 1.2284 -6.1708 3 485.2851387 89502 303643826 633925 a-Alanine, conf. I
174476.2584 1.2284 -6.1708 3 485.2851387 89502 303643827 633924 a-Alanine, conf. I
174479.0891 0.0688 -5.5378 3 142.9015195 89502 3033226 6 3126 5 a-Alanine, conf. I
174479.0891 0.0688 -5.5378 3 142.9015195 89502 3033226 7 3126 6 a-Alanine, conf. I
174536.5961 0.0584 -5.8059 3 32.9910117 89502 30319 713 18 414 a-Alanine, conf. I
174541.1365 2.2463 -5.4391 3 626.3869489 89502 303811863 811764 a-Alanine, conf. I
174541.1365 2.2463 -5.4391 3 626.3869489 89502 303811963 811864 a-Alanine, conf. I
174544.9155 7.5619 -6.4538 3 1267.9683663 89502 303B04565 B04466 a-Alanine, conf. I
174568.9936 0.0369 -6.1545 3 27.1680111 89502 30318 414 17 315 a-Alanine, conf. I
174576.2729 7.4872 -6.4536 3 1267.9670663 89502 303B04566 B04467 a-Alanine, conf. I
174604.1252 1.1188 -5.4222 3 306.4246369 89502 30361 457 61 358 a-Alanine, conf. I
174604.1252 1.1188 -5.4222 3 306.4246369 89502 30361 557 61 458 a-Alanine, conf. I
174609.4335 0.2247 -5.2128 3 329.3869297 89502 303493811 493712 a-Alanine, conf. I
174609.4335 0.2247 -5.2128 3 329.3869297 89502 303493812 493713 a-Alanine, conf. I
174622.1606 0.0641 -5.4694 3 138.9306195 89502 3033225 7 3125 6 a-Alanine, conf. I
174622.1606 0.0641 -5.4694 3 138.9306195 89502 3033225 8 3125 7 a-Alanine, conf. I
174713.2442 0.9376 -5.3021 3 364.4073393 89502 30365 758 65 659 a-Alanine, conf. I
174713.2442 0.9376 -5.3021 3 364.4073393 89502 30365 858 65 759 a-Alanine, conf. I
174727.4629 5.9083 -6.2942 3 339.3943351 89502 303581940 572037 a-Alanine, conf. I
174741.6510 1.5147 -5.4640 3 680.4145471 89502 303784038 783939 a-Alanine, conf. I
174741.6510 1.5147 -5.4640 3 680.4145471 89502 303784039 783940 a-Alanine, conf. I
174747.0793 0.0478 -5.7396 3 57.2057147 89502 303241015 23 915 a-Alanine, conf. I
174764.2848 0.2212 -5.2285 3 320.4743291 89502 303483810 483711 a-Alanine, conf. I
174764.2848 0.2212 -5.2285 3 320.4743291 89502 303483811 483712 a-Alanine, conf. I
174772.1060 0.0350 -6.1538 3 27.1680111 89502 30318 514 17 215 a-Alanine, conf. I
174784.8621 0.0620 -5.4104 3 135.1214195 89502 3033224 8 3124 7 a-Alanine, conf. I
174784.8621 0.0620 -5.4104 3 135.1214195 89502 3033224 9 3124 8 a-Alanine, conf. I
174788.9389 0.0527 -5.0369 3 99.3914195 89502 303321023 311022 a-Alanine, conf. I
174805.6514 1.0881 -5.2961 3 473.1370435 89502 303721260 721161 a-Alanine, conf. I
174805.6514 1.0881 -5.2961 3 473.1370435 89502 303721360 721261 a-Alanine, conf. I
174822.5982 0.1926 -4.8606 3 101.1453195 89502 303321022 311121 a-Alanine, conf. I
174831.9609 3.2885 -5.8572 3 929.6785561 89502 303934251 934152 a-Alanine, conf. I
174832.0384 3.2884 -5.8572 3 929.6785561 89502 303934252 934153 a-Alanine, conf. I
174833.3765 0.7880 -5.2683 3 527.3344405 89502 303673928 673829 a-Alanine, conf. I
174833.3765 0.7880 -5.2683 3 527.3344405 89502 303673929 673830 a-Alanine, conf. I
174890.0591 3.1831 -5.5574 3 717.1578519 89502 303862165 862066 a-Alanine, conf. I
174890.0594 3.1831 -5.5574 3 717.1578519 89502 303862265 862166 a-Alanine, conf. I
174906.5991 2.3093 -5.6570 3 807.6654519 89502 303864145 864046 a-Alanine, conf. I
174906.6013 2.3093 -5.6570 3 807.6654519 89502 303864146 864047 a-Alanine, conf. I
174909.3519 0.2217 -5.2482 3 311.7466285 89502 3034738 9 473710 a-Alanine, conf. I
174909.3519 0.2217 -5.2482 3 311.7466285 89502 303473810 473711 a-Alanine, conf. I
174939.1172 1.7605 -5.3787 3 573.3326471 89502 303781662 781563 a-Alanine, conf. I
174939.1172 1.7605 -5.3787 3 573.3326471 89502 303781762 781663 a-Alanine, conf. I
174956.1239 1.2604 -6.2119 3 503.0145393 89502 303653926 644025 a-Alanine, conf. I
174956.1239 1.2604 -6.2119 3 503.0145393 89502 303653927 644024 a-Alanine, conf. I
174958.8984 4.4110 -6.0500 3 1042.4806597 89502 303994356 994257 a-Alanine, conf. I
174959.7797 4.4093 -6.0500 3 1042.4806597 89502 303994357 994258 a-Alanine, conf. I
174967.7664 0.1628 -5.0404 3 90.3062183 89502 303301119 291118 a-Alanine, conf. I
174970.9620 0.0624 -5.3586 3 131.4749195 89502 3033223 9 3123 8 a-Alanine, conf. I
174970.9620 0.0624 -5.3586 3 131.4749195 89502 303322310 3123 9 a-Alanine, conf. I
174987.8021 0.5947 -5.9222 3 326.3883339 89502 303562234 561937 a-Alanine, conf. I
175017.9372 1.3712 -5.3303 3 522.2431453 89502 303751461 751362 a-Alanine, conf. I
175017.9372 1.3712 -5.3303 3 522.2431453 89502 303751561 751462 a-Alanine, conf. I
175019.1689 0.0639 -4.9528 3 109.4664225 89502 30337 235 36 234 a-Alanine, conf. I
175019.1689 0.0639 -4.3544 3 109.4664225 89502 30337 235 36 334 a-Alanine, conf. I
175019.1689 0.0639 -4.3544 3 109.4664225 89502 30337 335 36 234 a-Alanine, conf. I
175019.1689 0.0639 -4.9528 3 109.4664225 89502 30337 335 36 334 a-Alanine, conf. I
175045.0746 0.2256 -5.2725 3 303.2036279 89502 3034638 8 4637 9 a-Alanine, conf. I
175045.0746 0.2256 -5.2725 3 303.2036279 89502 3034638 9 463710 a-Alanine, conf. I
175073.2684 3.3144 -5.9808 3 252.9453303 89502 303501734 491831 a-Alanine, conf. I
175080.2692 4.8750 -5.7575 3 851.9899561 89502 303932568 932469 a-Alanine, conf. I
175080.2884 4.8750 -5.7575 3 851.9899561 89502 303932668 932569 a-Alanine, conf. I
175166.3018 1.2840 -5.6727 3 205.7618273 89502 303451630 441727 a-Alanine, conf. I
175171.8782 0.2325 -5.3025 3 294.8452273 89502 3034538 7 4537 8 a-Alanine, conf. I
175171.8782 0.2325 -5.3025 3 294.8452273 89502 3034538 8 4537 9 a-Alanine, conf. I
175185.2568 0.0653 -5.3125 3 127.9921195 89502 303322210 3122 9 a-Alanine, conf. I
175185.2568 0.0653 -5.3125 3 127.9921195 89502 303322211 312210 a-Alanine, conf. I
175224.3738 0.7352 -5.2551 3 515.0695399 89502 303663927 663828 a-Alanine, conf. I
175224.3738 0.7352 -5.2551 3 515.0695399 89502 303663928 663829 a-Alanine, conf. I
175231.7100 0.0519 -5.0344 3 99.3622195 89502 30332 923 31 922 a-Alanine, conf. I
175290.1737 0.2420 -5.3395 3 286.6711267 89502 3034438 6 4437 7 a-Alanine, conf. I
175290.1737 0.2420 -5.3395 3 286.6711267 89502 3034438 7 4437 8 a-Alanine, conf. I
175296.7090 0.0521 -4.4657 3 107.3005213 89502 30335 530 34 629 a-Alanine, conf. I
175296.7095 0.0521 -4.9899 3 107.3005213 89502 30335 630 34 629 a-Alanine, conf. I
175296.7104 0.0521 -4.9899 3 107.3005213 89502 30335 530 34 529 a-Alanine, conf. I
175296.7109 0.0521 -4.4657 3 107.3005213 89502 30335 630 34 529 a-Alanine, conf. I
175306.4099 0.0116 -5.6779 3 47.7956111 89502 3031817 1 1716 1 a-Alanine, conf. I
175306.4070 0.0300 -4.5249 3 47.7956111 -89502 3031817 1 1716 2 a-Alanine, conf. I
175306.4070 0.0300 -4.5249 3 47.7956111 -89502 3031817 2 1716 1 a-Alanine, conf. I
175306.4099 0.0116 -5.6779 3 47.7956111 89502 3031817 2 1716 2 a-Alanine, conf. I
175351.1528 1.4268 -5.4422 3 666.0775465 89502 303774037 773938 a-Alanine, conf. I
175351.1528 1.4268 -5.4422 3 666.0775465 89502 303774038 773939 a-Alanine, conf. I
175400.3592 0.2534 -5.3858 3 278.6813261 89502 3034338 5 4337 6 a-Alanine, conf. I
175400.3592 0.2534 -5.3858 3 278.6813261 89502 3034338 6 4337 7 a-Alanine, conf. I
175433.9634 0.0703 -5.2710 3 124.6744195 89502 303322111 312110 a-Alanine, conf. I
175433.9634 0.0703 -5.2710 3 124.6744195 89502 303322112 312111 a-Alanine, conf. I
175446.2506 1.2933 -6.2536 3 521.0804399 89502 303664026 654125 a-Alanine, conf. I
175446.2506 1.2933 -6.2536 3 521.0804399 89502 303664027 654124 a-Alanine, conf. I
175502.8200 0.2663 -5.4445 3 270.8755255 89502 3034238 4 4237 5 a-Alanine, conf. I
175502.8200 0.2663 -5.4445 3 270.8755255 89502 3034238 5 4237 6 a-Alanine, conf. I
175515.0490 1.2160 -5.5094 3 291.0275363 89502 30360 357 60 258 a-Alanine, conf. I
175515.0490 1.2160 -5.5094 3 291.0275363 89502 30360 457 60 358 a-Alanine, conf. I
175537.5653 4.7324 -6.1478 3 294.6077327 89502 303541837 531934 a-Alanine, conf. I
175558.5712 0.9179 -5.2825 3 408.8094411 89502 30368 959 68 860 a-Alanine, conf. I
175558.5712 0.9179 -5.2825 3 408.8094411 89502 303681059 68 960 a-Alanine, conf. I
175595.9330 0.6849 -5.2430 3 502.9931393 89502 303653926 653827 a-Alanine, conf. I
175595.9330 0.6849 -5.2430 3 502.9931393 89502 303653927 653828 a-Alanine, conf. I
175597.9290 0.2804 -5.5212 3 263.2535249 89502 3034138 3 4137 4 a-Alanine, conf. I
175597.9290 0.2804 -5.5212 3 263.2535249 89502 3034138 4 4137 5 a-Alanine, conf. I
175663.8964 0.0598 -4.7299 3 99.3622195 89502 303321023 31 922 a-Alanine, conf. I
175686.0480 0.2952 -5.6261 3 255.8153243 89502 3034038 2 4037 3 a-Alanine, conf. I
175686.0480 0.2952 -5.6261 3 255.8153243 89502 3034038 3 4037 4 a-Alanine, conf. I
175694.0565 5.4091 -5.8187 3 891.5547573 89502 303952669 952570 a-Alanine, conf. I
175694.1004 5.4091 -5.8187 3 891.5547573 89502 303952769 952670 a-Alanine, conf. I
175702.0499 0.2015 -5.0683 3 98.7267189 89502 303311318 301317 a-Alanine, conf. I
175712.0200 2.1787 -5.6297 3 791.8143513 89502 303854144 854045 a-Alanine, conf. I
175712.0210 2.1787 -5.6297 3 791.8143513 89502 303854145 854046 a-Alanine, conf. I
175725.3187 0.0771 -5.2335 3 121.5236195 89502 303322013 312012 a-Alanine, conf. I
175725.3188 0.0771 -5.2335 3 121.5236195 89502 303322012 312011 a-Alanine, conf. I
175763.2938 0.0483 -6.4436 3 47.2608135 89502 30322 913 21 714 a-Alanine, conf. I
175767.5272 0.3106 -5.7824 3 248.5606237 89502 3033938 1 3937 2 a-Alanine, conf. I
175767.5272 0.3106 -5.7824 3 248.5606237 89502 3033938 2 3937 3 a-Alanine, conf. I
175774.2720 1.0066 -5.3291 3 348.0894387 89502 30364 658 64 559 a-Alanine, conf. I
175774.2720 1.0066 -5.3291 3 348.0894387 89502 30364 758 64 659 a-Alanine, conf. I
175778.9213 5.5651 -6.2236 3 1142.6530627 89502 303A44460 A44361 a-Alanine, conf. I
175782.9317 5.5565 -6.2236 3 1142.6528627 89502 303A44461 A44362 a-Alanine, conf. I
175814.9708 2.5467 -5.4806 3 660.8643501 89502 303831964 831865 a-Alanine, conf. I
175814.9708 2.5467 -5.4806 3 660.8643501 89502 303832064 831965 a-Alanine, conf. I
175841.7702 3.0989 -5.8253 3 912.4986555 89502 303924250 924151 a-Alanine, conf. I
175841.8047 3.0988 -5.8253 3 912.4986555 89502 303924251 924152 a-Alanine, conf. I
175842.7062 0.3262 -6.0638 3 241.4892231 89502 3033838 0 3837 1 a-Alanine, conf. I
175842.7062 0.3262 -6.0638 3 241.4892231 89502 3033838 1 3837 2 a-Alanine, conf. I
175861.0292 0.0685 -5.8499 3 52.9069147 89502 30324 618 23 518 a-Alanine, conf. I
175876.8875 0.0535 -4.6308 3 103.1839201 89502 30333 825 32 924 a-Alanine, conf. I
175896.6427 0.0536 -5.0211 3 103.1839201 89502 30333 925 32 924 a-Alanine, conf. I
175905.3514 3.5691 -5.6077 3 753.7746531 89502 303882266 882167 a-Alanine, conf. I
175905.3520 3.5691 -5.6077 3 753.7746531 89502 303882366 882267 a-Alanine, conf. I
175921.4778 0.0536 -5.0209 3 103.1824201 89502 30333 825 32 824 a-Alanine, conf. I
175932.0026 1.3436 -5.4211 3 651.9316459 89502 303764036 763937 a-Alanine, conf. I
175932.0026 1.3436 -5.4211 3 651.9316459 89502 303764037 763938 a-Alanine, conf. I
175941.2330 0.0537 -4.6304 3 103.1824201 89502 30333 925 32 824 a-Alanine, conf. I
175945.4560 1.3271 -6.2959 3 539.4829405 89502 303674126 664225 a-Alanine, conf. I
175945.4560 1.3271 -6.2959 3 539.4829405 89502 303674127 664224 a-Alanine, conf. I
175948.8841 0.6371 -5.2318 3 491.1050387 89502 303643925 643826 a-Alanine, conf. I
175948.8841 0.6371 -5.2318 3 491.1050387 89502 303643926 643827 a-Alanine, conf. I
175977.1011 1.1302 -5.4447 3 201.8265267 89502 303441826 431925 a-Alanine, conf. I
175977.7580 0.5345 -6.3436 3 141.2506225 89502 303371523 371226 a-Alanine, conf. I
176033.3165 0.6884 -5.5678 3 197.2997267 89502 303441629 431726 a-Alanine, conf. I
176036.8179 0.0642 -5.8491 3 52.9082147 89502 30324 718 23 618 a-Alanine, conf. I
176039.9695 0.0085 -5.6896 3 48.6499117 89502 3031916 3 1815 3 a-Alanine, conf. I
176039.9980 0.0300 -4.5594 3 48.6499117 -89502 3031916 3 1815 4 a-Alanine, conf. I
176039.9980 0.0300 -4.5594 3 48.6499117 -89502 3031916 4 1815 3 a-Alanine, conf. I
176039.9695 0.0085 -5.6896 3 48.6499117 89502 3031916 4 1815 4 a-Alanine, conf. I
176061.9713 3.3170 -5.9529 3 313.3823333 89502 303552134 551837 a-Alanine, conf. I
176070.5412 0.0855 -5.1993 3 118.5422195 89502 303321914 311913 a-Alanine, conf. I
176070.5430 0.0855 -5.1993 3 118.5422195 89502 303321913 311912 a-Alanine, conf. I
176135.6412 11.8925 -6.4084 3 1237.6817669 89502 303B13477 B13378 a-Alanine, conf. I
176149.0571 0.2321 -6.3733 3 136.3879219 89502 303361621 361324 a-Alanine, conf. I
176155.7132 11.8477 -6.4083 3 1237.6818669 89502 303B13577 B13478 a-Alanine, conf. I
176164.3446 4.1463 -6.0142 3 1024.1621591 89502 303984355 984256 a-Alanine, conf. I
176164.7605 4.1455 -6.0142 3 1024.1620591 89502 303984356 984257 a-Alanine, conf. I
176166.7448 1.0114 -5.2897 3 455.2368429 89502 303711160 711061 a-Alanine, conf. I
176166.7448 1.0114 -5.2897 3 455.2368429 89502 303711260 711161 a-Alanine, conf. I
176187.4294 0.0363 -4.8682 3 58.6241147 89502 303241114 231013 a-Alanine, conf. I
176194.9417 7.0358 -6.4108 3 1247.5610657 89502 303A94564 A94465 a-Alanine, conf. I
176200.3404 5.9898 -5.8827 3 931.9501585 89502 303972770 972671 a-Alanine, conf. I
176200.4394 5.9897 -5.8827 3 931.9501585 89502 303972870 972771 a-Alanine, conf. I
176211.2244 6.9973 -6.4107 3 1247.5604657 89502 303A94565 A94466 a-Alanine, conf. I
176243.4146 1.5548 -6.4388 3 405.1176381 89502 303632142 622439 a-Alanine, conf. I
176284.0150 0.5916 -5.2216 3 479.4049381 89502 303633924 633825 a-Alanine, conf. I
176284.0150 0.5916 -5.2216 3 479.4049381 89502 303633925 633826 a-Alanine, conf. I
176371.3399 2.0105 -5.4140 3 606.5056483 89502 303801763 801664 a-Alanine, conf. I
176371.3399 2.0105 -5.4140 3 606.5056483 89502 303801863 801764 a-Alanine, conf. I
176381.7117 1.3171 -5.6483 3 275.8557357 89502 30359 257 59 158 a-Alanine, conf. I
176381.7117 1.3171 -5.6483 3 275.8557357 89502 30359 357 59 258 a-Alanine, conf. I
176433.3466 0.0851 -4.9325 3 111.7104231 89502 30338 137 37 136 a-Alanine, conf. I
176433.3466 0.0851 -4.3156 3 111.7104231 89502 30338 137 37 236 a-Alanine, conf. I
176433.3466 0.0851 -4.3156 3 111.7104231 89502 30338 237 37 136 a-Alanine, conf. I
176433.3466 0.0851 -4.9325 3 111.7104231 89502 30338 237 37 236 a-Alanine, conf. I
176452.7015 1.3618 -6.3388 3 558.2216411 89502 303684226 674325 a-Alanine, conf. I
176452.7015 1.3618 -6.3388 3 558.2216411 89502 303684227 674324 a-Alanine, conf. I
176453.8139 2.7909 -6.0316 3 272.5795309 89502 303512130 511833 a-Alanine, conf. I
176476.5254 0.4415 -4.9870 3 108.7965201 89502 303331122 321221 a-Alanine, conf. I
176479.6878 2.0561 -5.6031 3 776.1565507 89502 303844143 844044 a-Alanine, conf. I
176479.6881 2.0561 -5.6031 3 776.1565507 89502 303844144 844045 a-Alanine, conf. I
176485.4521 0.0953 -5.1678 3 115.7332195 89502 303321815 311814 a-Alanine, conf. I
176485.4859 0.0953 -5.1678 3 115.7332195 89502 303321814 311813 a-Alanine, conf. I
176485.5633 1.2646 -5.4009 3 637.9765453 89502 303754035 753936 a-Alanine, conf. I
176485.5633 1.2646 -5.4009 3 637.9765453 89502 303754036 753937 a-Alanine, conf. I
176508.4592 0.0494 -5.0324 3 95.0791189 89502 303311021 301020 a-Alanine, conf. I
176519.6566 1.2330 -5.3165 3 503.6734447 89502 303741361 741262 a-Alanine, conf. I
176519.6566 1.2330 -5.3165 3 503.6734447 89502 303741461 741362 a-Alanine, conf. I
176574.2456 0.2887 -6.4239 3 129.6512213 89502 303351620 351323 a-Alanine, conf. I
176593.4054 6.6218 -5.9495 3 973.1727597 89502 303992871 992772 a-Alanine, conf. I
176593.6255 6.6214 -5.9495 3 973.1727597 89502 303992971 992872 a-Alanine, conf. I
176596.1909 1.5708 -5.3588 3 554.1023465 89502 303771562 771463 a-Alanine, conf. I
176596.1909 1.5708 -5.3588 3 554.1023465 89502 303771662 771563 a-Alanine, conf. I
176598.3566 10.7850 -6.3249 3 1191.5718657 89502 303A93376 A93277 a-Alanine, conf. I
176602.0749 0.5485 -5.2126 3 467.8926375 89502 303623923 623824 a-Alanine, conf. I
176602.0749 0.5485 -5.2126 3 467.8926375 89502 303623924 623825 a-Alanine, conf. I
176608.1273 10.7640 -6.3249 3 1191.5718657 89502 303A93476 A93377 a-Alanine, conf. I
176661.2259 0.1621 -5.7497 3 60.2322153 89502 30325 817 24 717 a-Alanine, conf. I
176661.8734 3.9947 -5.9996 3 290.3801321 89502 303532033 531736 a-Alanine, conf. I
176699.2488 0.0529 -4.9703 3 110.1604219 89502 30336 432 35 431 a-Alanine, conf. I
176699.2488 0.0529 -4.4163 3 110.1604219 89502 30336 432 35 531 a-Alanine, conf. I
176699.2488 0.0529 -4.4163 3 110.1604219 89502 30336 532 35 431 a-Alanine, conf. I
176699.2488 0.0529 -4.9703 3 110.1604219 89502 30336 532 35 531 a-Alanine, conf. I
176705.6071 1.9039 -5.9527 3 315.6794333 89502 303552233 551936 a-Alanine, conf. I
176731.5062 0.9423 -5.2919 3 391.8020405 89502 30367 859 67 760 a-Alanine, conf. I
176731.5062 0.9423 -5.2919 3 391.8020405 89502 30367 959 67 860 a-Alanine, conf. I
176749.6008 0.0091 -5.6992 3 49.8608123 89502 3032015 5 1914 5 a-Alanine, conf. I
176749.6100 0.0300 -4.5971 3 49.8608123 -89502 3032015 6 1914 5 a-Alanine, conf. I
176749.6100 0.0300 -4.5971 3 49.8608123 -89502 3032015 5 1914 6 a-Alanine, conf. I
176749.6010 0.0091 -5.6992 3 49.8608123 89502 3032015 6 1914 6 a-Alanine, conf. I
176754.5827 1.3714 -5.3926 3 173.3488249 89502 303411625 401724 a-Alanine, conf. I
176756.9342 1.6661 -6.3291 3 169.8454243 89502 303401822 401525 a-Alanine, conf. I
176784.0639 1.0908 -5.3689 3 331.9920381 89502 30363 558 63 459 a-Alanine, conf. I
176784.0639 1.0908 -5.3689 3 331.9920381 89502 30363 658 63 559 a-Alanine, conf. I
176803.0820 2.9225 -5.7941 3 895.5139549 89502 303914249 914150 a-Alanine, conf. I
176803.0971 2.9225 -5.7941 3 895.5139549 89502 303914250 914151 a-Alanine, conf. I
176831.9250 1.0017 -5.6835 3 308.4451321 89502 303532628 522725 a-Alanine, conf. I
176832.0582 1.0017 -5.6835 3 308.4451321 89502 303532627 522726 a-Alanine, conf. I
176832.4123 3.9888 -5.6609 3 791.2337543 89502 303902367 902268 a-Alanine, conf. I
176832.4139 3.9888 -5.6609 3 791.2337543 89502 303902467 902368 a-Alanine, conf. I
176847.5038 0.9842 -5.6486 3 294.9399315 89502 303522528 512625 a-Alanine, conf. I
176848.1129 0.9844 -5.6486 3 294.9399315 89502 303522527 512626 a-Alanine, conf. I
176866.8022 7.3104 -6.0190 3 1015.2192609 89502 303A12972 A12873 a-Alanine, conf. I
176867.2847 7.3095 -6.0190 3 1015.2192609 89502 303A13072 A12973 a-Alanine, conf. I
176874.8788 0.2148 -6.3335 3 143.2886225 89502 303371622 371325 a-Alanine, conf. I
176889.7554 9.7881 -6.2443 3 1146.2664645 89502 303A73275 A73176 a-Alanine, conf. I
176894.4511 9.7784 -6.2443 3 1146.2664645 89502 303A73375 A73276 a-Alanine, conf. I
176894.8229 0.0206 -5.7180 3 58.6241147 89502 303241113 231013 a-Alanine, conf. I
176899.1926 1.0215 -5.7189 3 322.2914327 89502 303542728 532825 a-Alanine, conf. I
176899.2206 1.0216 -5.7189 3 322.2914327 89502 303542727 532826 a-Alanine, conf. I
176903.7775 0.5076 -5.2046 3 456.5677369 89502 303613922 613823 a-Alanine, conf. I
176903.7775 0.5076 -5.2046 3 456.5677369 89502 303613923 613824 a-Alanine, conf. I
176965.1419 0.9697 -5.6140 3 281.7767309 89502 303512428 502525 a-Alanine, conf. I
176967.0707 1.3975 -6.3823 3 577.2966417 89502 303694326 684425 a-Alanine, conf. I
176967.0707 1.3975 -6.3823 3 577.2966417 89502 303694327 684424 a-Alanine, conf. I
176967.8136 0.9704 -5.6140 3 281.7767309 89502 303512427 502526 a-Alanine, conf. I
176993.2915 0.1066 -5.1386 3 113.1010195 89502 303321716 311715 a-Alanine, conf. I
176993.8138 0.1067 -5.1386 3 113.1010195 89502 303321715 311714 a-Alanine, conf. I
177010.6778 2.8753 -5.5254 3 696.1920513 89502 303852065 851966 a-Alanine, conf. I
177010.6779 2.8753 -5.5254 3 696.1920513 89502 303852165 852066 a-Alanine, conf. I
177013.1065 1.1895 -5.3814 3 624.2119447 89502 303744034 743935 a-Alanine, conf. I
177013.1065 1.1895 -5.3814 3 624.2119447 89502 303744035 743936 a-Alanine, conf. I
177013.1908 8.0620 -6.0914 3 1058.0862621 89502 303A33073 A32974 a-Alanine, conf. I
177014.2345 8.0601 -6.0914 3 1058.0862621 89502 303A33173 A33074 a-Alanine, conf. I
177024.1269 8.8846 -6.1664 3 1101.7698633 89502 303A53174 A53075 a-Alanine, conf. I
177026.3548 8.8802 -6.1664 3 1101.7698633 89502 303A53274 A53175 a-Alanine, conf. I
177034.5208 1.0434 -5.7547 3 336.4782333 89502 303552828 542925 a-Alanine, conf. I
177034.5265 1.0434 -5.7547 3 336.4782333 89502 303552827 542926 a-Alanine, conf. I
177096.2269 0.6922 -6.4170 3 132.3364219 89502 303361423 361126 a-Alanine, conf. I
177108.1654 0.0552 -4.5544 3 106.7262207 89502 30334 727 33 826 a-Alanine, conf. I
177108.7634 0.0552 -5.0039 3 106.7262207 89502 30334 827 33 826 a-Alanine, conf. I
177109.6245 0.0552 -5.0039 3 106.7262207 89502 30334 727 33 726 a-Alanine, conf. I
177110.2225 0.0552 -4.5544 3 106.7262207 89502 30334 827 33 726 a-Alanine, conf. I
177146.8745 5.2177 -6.1848 3 1123.3908621 89502 303A34459 A34360 a-Alanine, conf. I
177148.8462 5.2135 -6.1848 3 1123.3907621 89502 303A34460 A34361 a-Alanine, conf. I
177189.8034 0.4691 -5.1979 3 445.4301363 89502 303603921 603822 a-Alanine, conf. I
177189.8034 0.4691 -5.1979 3 445.4301363 89502 303603922 603823 a-Alanine, conf. I
177206.3474 1.4200 -5.9127 3 260.9110351 89502 30358 157 58 058 a-Alanine, conf. I
177206.3474 1.4200 -5.9127 3 260.9110351 89502 30358 257 58 158 a-Alanine, conf. I
177209.5068 0.9585 -5.5798 3 268.9565303 89502 303502328 492425 a-Alanine, conf. I
177211.6309 1.9407 -5.5773 3 760.6914501 89502 303834142 834043 a-Alanine, conf. I
177211.6311 1.9407 -5.5773 3 760.6914501 89502 303834143 834044 a-Alanine, conf. I
177220.7010 0.9615 -5.5798 3 268.9565303 89502 303502327 492426 a-Alanine, conf. I
177222.3747 0.2037 -5.2401 3 51.6495141 89502 30323 914 22 815 a-Alanine, conf. I
177226.4283 1.0668 -5.7909 3 351.0048339 89502 303562928 553025 a-Alanine, conf. I
177226.4294 1.0668 -5.7909 3 351.0048339 89502 303562927 553026 a-Alanine, conf. I
177309.6854 3.9027 -5.9792 3 1006.0404585 89502 303974354 974255 a-Alanine, conf. I
177309.8786 3.9023 -5.9792 3 1006.0404585 89502 303974355 974256 a-Alanine, conf. I
177361.3905 2.5830 -6.3027 3 180.0840255 89502 303421527 421230 a-Alanine, conf. I
177367.6436 0.8982 -6.4434 3 147.2818231 89502 303381424 371522 a-Alanine, conf. I
177404.3134 0.0113 -4.6398 3 51.4376129 89502 3032114 8 2013 7 a-Alanine, conf. I
177404.3188 0.0113 -5.7067 3 51.4376129 89502 3032114 7 2013 7 a-Alanine, conf. I
177404.3480 0.0113 -5.7067 3 51.4376129 89502 3032114 8 2013 8 a-Alanine, conf. I
177404.3534 0.0113 -4.6398 3 51.4376129 89502 3032114 7 2013 8 a-Alanine, conf. I
177460.8028 0.4329 -5.1925 3 434.4794357 89502 303593920 593821 a-Alanine, conf. I
177460.8028 0.4329 -5.1925 3 434.4794357 89502 303593921 593822 a-Alanine, conf. I
177461.2817 0.9710 -5.2876 3 437.5475423 89502 303701060 70 961 a-Alanine, conf. I
177461.2817 0.9710 -5.2876 3 437.5475423 89502 303701160 701061 a-Alanine, conf. I
177465.8684 1.0917 -5.8276 3 365.8708345 89502 303573028 563125 a-Alanine, conf. I
177465.8686 1.0917 -5.8276 3 365.8708345 89502 303573027 563126 a-Alanine, conf. I
177487.7517 1.4343 -6.4263 3 596.7076423 89502 303704426 694525 a-Alanine, conf. I
177487.7517 1.4343 -6.4263 3 596.7076423 89502 303704427 694524 a-Alanine, conf. I
177515.8210 1.1181 -5.3627 3 610.6374441 89502 303734033 733934 a-Alanine, conf. I
177515.8210 1.1181 -5.3627 3 610.6374441 89502 303734034 733935 a-Alanine, conf. I
177595.9218 0.0491 -5.9070 3 51.1772147 89502 30324 519 23 419 a-Alanine, conf. I
177609.9160 0.9504 -5.5460 3 256.4807297 89502 303492228 482325 a-Alanine, conf. I
177610.8009 0.0487 -5.9070 3 51.1772147 89502 30324 619 23 519 a-Alanine, conf. I
177628.7149 0.1200 -5.1113 3 110.6518195 89502 303321617 311616 a-Alanine, conf. I
177635.3084 0.1205 -5.1113 3 110.6520195 89502 303321616 311615 a-Alanine, conf. I
177654.4957 0.9611 -5.5458 3 256.4807297 89502 303492227 482326 a-Alanine, conf. I
177667.6954 4.4446 -5.7171 3 829.5325555 89502 303922468 922369 a-Alanine, conf. I
177667.6992 4.4446 -5.7171 3 829.5325555 89502 303922568 922469 a-Alanine, conf. I
177717.3979 0.3992 -5.1883 3 423.7156351 89502 303583919 583820 a-Alanine, conf. I
177717.3979 0.3992 -5.1883 3 423.7156351 89502 303583920 583821 a-Alanine, conf. I
177718.8754 2.7581 -5.7637 3 878.7238543 89502 303904248 904149 a-Alanine, conf. I
177718.8818 2.7581 -5.7637 3 878.7238543 89502 303904249 904150 a-Alanine, conf. I
177731.0006 2.2869 -5.4530 3 640.5338495 89502 303821864 821765 a-Alanine, conf. I
177731.0006 2.2869 -5.4530 3 640.5338495 89502 303821964 821865 a-Alanine, conf. I
177745.3846 1.1851 -5.4270 3 316.1167375 89502 30362 458 62 359 a-Alanine, conf. I
177745.3846 1.1851 -5.4270 3 316.1167375 89502 30362 558 62 459 a-Alanine, conf. I
177745.6058 1.1178 -5.8648 3 381.0757351 89502 303583128 573225 a-Alanine, conf. I
177745.6059 1.1178 -5.8648 3 381.0757351 89502 303583127 573226 a-Alanine, conf. I
177750.0285 6.5695 -6.3687 3 1227.3545651 89502 303A84563 A84464 a-Alanine, conf. I
177758.3540 6.5499 -6.3687 3 1227.3541651 89502 303A84564 A84465 a-Alanine, conf. I
177778.5916 2.1820 -5.9283 3 337.2004345 89502 303572235 571938 a-Alanine, conf. I
177839.0673 0.1165 -4.9125 3 113.7701237 89502 30339 039 38 038 a-Alanine, conf. I
177839.0673 0.1165 -4.2795 3 113.7701237 89502 30339 039 38 138 a-Alanine, conf. I
177839.0673 0.1165 -4.2795 3 113.7701237 89502 30339 139 38 038 a-Alanine, conf. I
177839.0673 0.1165 -4.9125 3 113.7701237 89502 30339 139 38 138 a-Alanine, conf. I
177848.0123 0.9944 -5.3088 3 375.0114399 89502 30366 759 66 660 a-Alanine, conf. I
177848.0123 0.9944 -5.3088 3 375.0114399 89502 30366 859 66 760 a-Alanine, conf. I
177851.2614 0.0665 -5.0290 3 101.1453195 89502 303321122 311121 a-Alanine, conf. I
177909.7127 1.8319 -5.5523 3 745.4186495 89502 303824141 824042 a-Alanine, conf. I
177909.7127 1.8319 -5.5523 3 745.4186495 89502 303824142 824043 a-Alanine, conf. I
177935.5885 0.0802 -5.6671 3 67.0790159 89502 303261016 25 916 a-Alanine, conf. I
177937.5799 0.0139 -4.6910 3 53.3949135 89502 303221310 2112 9 a-Alanine, conf. I
177938.1020 0.0139 -5.7117 3 53.3949135 89502 3032213 9 2112 9 a-Alanine, conf. I
177940.3998 0.0139 -5.7117 3 53.3948135 89502 303221310 211210 a-Alanine, conf. I
177940.9219 0.0139 -4.6910 3 53.3948135 89502 3032213 9 211210 a-Alanine, conf. I
177947.0220 1.1255 -5.3060 3 485.3103441 89502 303731261 731162 a-Alanine, conf. I
177947.0220 1.1255 -5.3060 3 485.3103441 89502 303731361 731262 a-Alanine, conf. I
177956.5112 1.0025 -5.2160 3 131.4724219 89502 303361323 351422 a-Alanine, conf. I
177960.1845 0.3681 -5.1857 3 413.1383345 89502 303573918 573819 a-Alanine, conf. I
177960.1845 0.3681 -5.1857 3 413.1383345 89502 303573919 573820 a-Alanine, conf. I
177994.8210 1.0501 -5.3449 3 597.2527435 89502 303724032 723933 a-Alanine, conf. I
177994.8210 1.0501 -5.3449 3 597.2527435 89502 303724033 723934 a-Alanine, conf. I
178059.7753 1.1450 -5.9025 3 396.6192357 89502 303593227 583326 a-Alanine, conf. I
178059.7753 1.1450 -5.9025 3 396.6192357 89502 303593228 583325 a-Alanine, conf. I
178106.4848 1.7967 -5.3913 3 586.8213477 89502 303791663 791564 a-Alanine, conf. I
178106.4848 1.7967 -5.3913 3 586.8213477 89502 303791763 791664 a-Alanine, conf. I
178113.8340 0.0575 -4.9506 3 112.8269225 89502 30337 334 36 333 a-Alanine, conf. I
178113.8340 0.0575 -4.3719 3 112.8269225 89502 30337 334 36 433 a-Alanine, conf. I
178113.8340 0.0575 -4.3719 3 112.8269225 89502 30337 434 36 333 a-Alanine, conf. I
178113.8340 0.0575 -4.9506 3 112.8269225 89502 30337 434 36 433 a-Alanine, conf. I
178125.6565 3.2337 -5.5734 3 732.3674525 89502 303872166 872067 a-Alanine, conf. I
178125.6566 3.2337 -5.5734 3 732.3674525 89502 303872266 872167 a-Alanine, conf. I
178127.6986 0.0161 -4.7584 3 55.7606141 89502 303231212 221111 a-Alanine, conf. I
178154.2749 0.0163 -5.7144 3 55.7606141 89502 303231211 221111 a-Alanine, conf. I
178169.5748 1.4059 -5.3416 3 535.0740459 89502 303761462 761363 a-Alanine, conf. I
178169.5748 1.4059 -5.3416 3 535.0740459 89502 303761562 761463 a-Alanine, conf. I
178189.7343 0.3397 -5.1846 3 402.7474339 89502 303563917 563818 a-Alanine, conf. I
178189.7343 0.3397 -5.1846 3 402.7474339 89502 303563918 563819 a-Alanine, conf. I
178191.6793 0.9424 -5.5128 3 244.3510291 89502 303482128 472225 a-Alanine, conf. I
178244.3547 0.0170 -5.7141 3 55.7567141 89502 303231212 221112 a-Alanine, conf. I
178270.9310 0.0174 -4.7579 3 55.7567141 89502 303231211 221112 a-Alanine, conf. I
178359.2922 0.9782 -5.5119 3 244.3508291 89502 303482127 472226 a-Alanine, conf. I
178399.1348 3.6777 -5.9451 3 988.1150579 89502 303964353 964254 a-Alanine, conf. I
178399.2232 3.6775 -5.9451 3 988.1150579 89502 303964354 964255 a-Alanine, conf. I
178403.5643 1.1731 -5.9408 3 412.5009363 89502 303603327 593426 a-Alanine, conf. I
178403.5643 1.1731 -5.9408 3 412.5009363 89502 303603328 593425 a-Alanine, conf. I
178406.5960 0.3143 -5.1852 3 392.5426333 89502 303553916 553817 a-Alanine, conf. I
178406.5960 0.3143 -5.1852 3 392.5426333 89502 303553917 553818 a-Alanine, conf. I
178407.2967 4.9394 -5.7762 3 868.6680567 89502 303942569 942470 a-Alanine, conf. I
178407.3057 4.9394 -5.7762 3 868.6680567 89502 303942669 942570 a-Alanine, conf. I
178430.6195 0.0560 -4.4920 3 110.0418213 89502 30335 629 34 728 a-Alanine, conf. I
178430.6321 0.0560 -4.9858 3 110.0418213 89502 30335 729 34 728 a-Alanine, conf. I
178430.6523 0.0560 -4.9858 3 110.0418213 89502 30335 629 34 628 a-Alanine, conf. I
178430.6649 0.0560 -4.4920 3 110.0418213 89502 30335 729 34 628 a-Alanine, conf. I
178433.5763 0.1351 -5.0855 3 108.3946195 89502 303321518 311517 a-Alanine, conf. I
178444.1274 4.9012 -6.1468 3 1104.3268615 89502 303A24458 A24359 a-Alanine, conf. I
178445.0821 4.8992 -6.1468 3 1104.3268615 89502 303A24459 A24360 a-Alanine, conf. I
178451.1537 0.9853 -5.3279 3 584.0575429 89502 303714031 713932 a-Alanine, conf. I
178451.1537 0.9853 -5.3279 3 584.0575429 89502 303714032 713933 a-Alanine, conf. I
178499.9140 0.1399 -5.0851 3 108.3961195 89502 303321517 311516 a-Alanine, conf. I
178516.7843 0.0267 -5.7127 3 58.5464147 89502 303241114 231014 a-Alanine, conf. I
178575.6503 1.7291 -5.5280 3 730.3378489 89502 303814140 814041 a-Alanine, conf. I
178575.6503 1.7291 -5.5280 3 730.3378489 89502 303814141 814042 a-Alanine, conf. I
178591.8398 2.6043 -5.7341 3 862.1278537 89502 303894247 894148 a-Alanine, conf. I
178591.8426 2.6043 -5.7341 3 862.1278537 89502 303894248 894149 a-Alanine, conf. I
178600.3759 0.2134 -5.4587 3 46.3320135 89502 30322 814 21 715 a-Alanine, conf. I
178611.2974 0.2922 -5.1876 3 382.5237327 89502 303543915 543816 a-Alanine, conf. I
178611.2974 0.2922 -5.1876 3 382.5237327 89502 303543916 543817 a-Alanine, conf. I
178636.7038 0.3519 -6.3611 3 138.6330225 89502 303371324 361422 a-Alanine, conf. I
178660.7704 1.2860 -5.5137 3 300.4652369 89502 30361 358 61 259 a-Alanine, conf. I
178660.7704 1.2860 -5.5137 3 300.4652369 89502 30361 458 61 359 a-Alanine, conf. I
178693.3963 0.9673 -5.2906 3 420.0712417 89502 30369 960 69 861 a-Alanine, conf. I
178693.3963 0.9673 -5.2906 3 420.0712417 89502 303691060 69 961 a-Alanine, conf. I
178772.9820 1.2022 -5.9795 3 428.7206369 89502 303613427 603526 a-Alanine, conf. I
178772.9820 1.2022 -5.9795 3 428.7206369 89502 303613428 603525 a-Alanine, conf. I
178783.2377 0.0644 -5.9400 3 31.6435117 89502 30319 514 18 415 a-Alanine, conf. I
178804.3463 0.2736 -5.1920 3 372.6906321 89502 303533914 533815 a-Alanine, conf. I
178804.3463 0.2736 -5.1920 3 372.6906321 89502 303533915 533816 a-Alanine, conf. I
178885.8046 0.9236 -5.3118 3 571.0516423 89502 303704030 703931 a-Alanine, conf. I
178885.8046 0.9236 -5.3118 3 571.0516423 89502 303704031 703932 a-Alanine, conf. I
178891.1436 0.0396 -5.9839 3 49.2972147 89502 30324 420 23 320 a-Alanine, conf. I
178892.0258 0.0396 -5.9839 3 49.2972147 89502 30324 520 23 420 a-Alanine, conf. I
178911.2795 1.0677 -5.3353 3 358.4394393 89502 30365 659 65 560 a-Alanine, conf. I
178911.2795 1.0677 -5.3353 3 358.4394393 89502 30365 759 65 660 a-Alanine, conf. I
178927.4014 0.4456 -5.4384 3 199.3786267 89502 303441728 431825 a-Alanine, conf. I
178942.0987 0.3130 -6.3058 3 150.3473231 89502 303381623 381326 a-Alanine, conf. I
178943.1126 0.9241 -5.4808 3 232.5699285 89502 303472028 462125 a-Alanine, conf. I
178986.2318 0.2588 -5.1987 3 363.0429315 89502 303523913 523814 a-Alanine, conf. I
178986.2318 0.2588 -5.1987 3 363.0429315 89502 303523914 523815 a-Alanine, conf. I
178999.0653 4.2437 -6.0616 3 268.2034309 89502 303511932 511635 a-Alanine, conf. I
179015.9620 2.5906 -5.4953 3 675.4149507 89502 303841965 841866 a-Alanine, conf. I
179015.9620 2.5906 -5.4953 3 675.4149507 89502 303842065 841966 a-Alanine, conf. I
179046.9028 5.4765 -5.8382 3 908.6372579 89502 303962670 962571 a-Alanine, conf. I
179046.9235 5.4764 -5.8382 3 908.6372579 89502 303962770 962671 a-Alanine, conf. I
179058.4542 0.0596 -4.6880 3 105.2218201 89502 30333 924 321023 a-Alanine, conf. I
179157.0751 3.6237 -5.6245 3 769.3881537 89502 303892267 892168 a-Alanine, conf. I
179157.0754 3.6237 -5.6245 3 769.3881537 89502 303892367 892268 a-Alanine, conf. I
179157.4259 0.2482 -5.2080 3 353.5806309 89502 303513912 513813 a-Alanine, conf. I
179157.4259 0.2482 -5.2080 3 353.5806309 89502 303513913 513814 a-Alanine, conf. I
179164.6872 1.2321 -6.0188 3 445.2780375 89502 303623527 613626 a-Alanine, conf. I
179164.6872 1.2321 -6.0188 3 445.2780375 89502 303623528 613625 a-Alanine, conf. I
179211.0313 1.6318 -5.5044 3 715.4486483 89502 303804139 804040 a-Alanine, conf. I
179211.0313 1.6318 -5.5044 3 715.4486483 89502 303804140 804041 a-Alanine, conf. I
179219.9941 6.1511 -6.3276 3 1207.3476645 89502 303A74562 A74463 a-Alanine, conf. I
179224.1778 0.0447 -4.8601 3 58.5464147 89502 303241113 231014 a-Alanine, conf. I
179224.1867 6.1413 -6.3276 3 1207.3475645 89502 303A74563 A74464 a-Alanine, conf. I
179265.5945 0.0563 -5.0128 3 105.2218201 89502 303331024 321023 a-Alanine, conf. I
179299.7039 0.8647 -5.2965 3 558.2345417 89502 303694029 693930 a-Alanine, conf. I
179299.7039 0.8647 -5.2965 3 558.2345417 89502 303694030 693931 a-Alanine, conf. I
179304.9588 1.0528 -5.2992 3 467.1560435 89502 303721161 721062 a-Alanine, conf. I
179304.9588 1.0528 -5.2992 3 467.1560435 89502 303721261 721162 a-Alanine, conf. I
179318.3836 0.2416 -5.2201 3 344.3034303 89502 303503911 503812 a-Alanine, conf. I
179318.3836 0.2416 -5.2201 3 344.3034303 89502 303503912 503813 a-Alanine, conf. I
179325.7049 0.1449 -5.0319 3 57.2057147 89502 303241014 23 915 a-Alanine, conf. I
179353.8949 0.0706 -4.8878 3 63.1873153 89502 303251115 241014 a-Alanine, conf. I
179380.6122 0.2425 -5.0296 3 97.2380189 89502 303311219 301218 a-Alanine, conf. I
179383.8285 0.1472 -5.0611 3 106.3404195 89502 303321419 311418 a-Alanine, conf. I
179394.5563 0.1289 -6.3246 3 175.8908201 89502 3033332 1 3232 0 a-Alanine, conf. I
179394.5563 0.1289 -6.3246 3 175.8908201 89502 3033332 2 3232 1 a-Alanine, conf. I
179424.4158 2.4603 -5.7052 3 845.7254531 89502 303884246 884147 a-Alanine, conf. I
179424.4169 2.4602 -5.7052 3 845.7254531 89502 303884247 884148 a-Alanine, conf. I
179436.4174 3.4691 -5.9117 3 970.3852573 89502 303954352 954253 a-Alanine, conf. I
179436.4571 3.4690 -5.9117 3 970.3852573 89502 303954353 954254 a-Alanine, conf. I
179467.0387 2.7394 -6.1444 3 232.5711285 89502 303472027 471730 a-Alanine, conf. I
179469.5449 0.2392 -5.2356 3 335.2112297 89502 303493910 493811 a-Alanine, conf. I
179469.5449 0.2392 -5.2356 3 335.2112297 89502 303493911 493812 a-Alanine, conf. I
179474.0486 0.1160 -6.0196 3 170.9635201 89502 3033331 2 3231 1 a-Alanine, conf. I
179474.0486 0.1160 -6.0196 3 170.9635201 89502 3033331 3 3231 2 a-Alanine, conf. I
179490.6406 0.0560 -5.0116 3 105.2073201 89502 30333 924 32 923 a-Alanine, conf. I
179530.0437 0.0701 -4.9310 3 115.3044231 89502 30338 236 37 235 a-Alanine, conf. I
179530.0437 0.0701 -4.3314 3 115.3044231 89502 30338 236 37 335 a-Alanine, conf. I
179530.0437 0.0701 -4.3314 3 115.3044231 89502 30338 336 37 235 a-Alanine, conf. I
179530.0437 0.0701 -4.9310 3 115.3044231 89502 30338 336 37 335 a-Alanine, conf. I
179532.4986 1.0345 -5.4776 3 232.5689285 89502 303472027 462126 a-Alanine, conf. I
179532.5575 1.3905 -5.6522 3 285.0389363 89502 30360 258 60 159 a-Alanine, conf. I
179532.5575 1.3905 -5.6522 3 285.0389363 89502 30360 358 60 259 a-Alanine, conf. I
179547.0323 2.0490 -5.4275 3 620.3978489 89502 303811764 811665 a-Alanine, conf. I
179547.0323 2.0490 -5.4275 3 620.3978489 89502 303811864 811765 a-Alanine, conf. I
179562.4015 0.1041 -5.8400 3 166.1954201 89502 3033330 3 3230 2 a-Alanine, conf. I
179562.4015 0.1041 -5.8400 3 166.1954201 89502 3033330 4 3230 3 a-Alanine, conf. I
179575.8591 1.2629 -6.0586 3 462.1728381 89502 303633627 623726 a-Alanine, conf. I
179575.8591 1.2629 -6.0586 3 462.1728381 89502 303633628 623725 a-Alanine, conf. I
179581.7271 6.0595 -5.9030 3 949.4370591 89502 303982771 982672 a-Alanine, conf. I
179581.7746 6.0594 -5.9030 3 949.4370591 89502 303982871 982772 a-Alanine, conf. I
179610.2190 0.1915 -5.6912 3 66.1250159 89502 30326 917 25 817 a-Alanine, conf. I
179611.3347 0.2407 -5.2549 3 326.3038291 89502 3034839 9 483810 a-Alanine, conf. I
179611.3347 0.2407 -5.2549 3 326.3038291 89502 303483910 483811 a-Alanine, conf. I
179660.8767 0.0934 -5.7120 3 161.5867201 89502 3033329 4 3229 3 a-Alanine, conf. I
179660.8767 0.0934 -5.7120 3 161.5867201 89502 3033329 5 3229 4 a-Alanine, conf. I
179665.2236 1.2693 -5.3274 3 516.2501453 89502 303751362 751263 a-Alanine, conf. I
179665.2236 1.2693 -5.3274 3 516.2501453 89502 303751462 751363 a-Alanine, conf. I
179676.2547 4.6113 -6.1096 3 1085.4603609 89502 303A14457 A14358 a-Alanine, conf. I
179676.7099 4.6103 -6.1096 3 1085.4602609 89502 303A14458 A14359 a-Alanine, conf. I
179693.7310 0.8085 -5.2821 3 545.6062411 89502 303684028 683929 a-Alanine, conf. I
179693.7310 0.8085 -5.2821 3 545.6062411 89502 303684029 683930 a-Alanine, conf. I
179697.7808 0.0582 -4.6845 3 105.2073201 89502 303331024 32 923 a-Alanine, conf. I
179724.4227 0.8692 -5.4521 3 221.1414279 89502 303461928 452025 a-Alanine, conf. I
179744.1642 0.2457 -5.2789 3 317.5809285 89502 3034739 8 4738 9 a-Alanine, conf. I
179744.1642 0.2457 -5.2789 3 317.5809285 89502 3034739 9 473810 a-Alanine, conf. I
179753.8918 1.6063 -5.3710 3 567.3366471 89502 303781563 781464 a-Alanine, conf. I
179753.8918 1.6063 -5.3710 3 567.3366471 89502 303781663 781564 a-Alanine, conf. I
179755.3199 0.0535 -5.9375 3 31.6431117 89502 30319 614 18 315 a-Alanine, conf. I
179770.9807 0.0841 -5.6123 3 157.1378201 89502 3033328 5 3228 4 a-Alanine, conf. I
179770.9807 0.0841 -5.6123 3 157.1378201 89502 3033328 6 3228 5 a-Alanine, conf. I
179796.0300 0.1041 -5.0285 3 102.7991195 89502 303321221 311220 a-Alanine, conf. I
179808.3862 0.0561 -4.4386 3 113.1478219 89502 30336 531 35 630 a-Alanine, conf. I
179808.3864 0.0561 -4.9671 3 113.1478219 89502 30336 631 35 630 a-Alanine, conf. I
179808.3867 0.0561 -4.9671 3 113.1478219 89502 30336 531 35 530 a-Alanine, conf. I
179808.3869 0.0561 -4.4386 3 113.1478219 89502 30336 631 35 530 a-Alanine, conf. I
179817.3282 1.5396 -5.4816 3 700.7505477 89502 303794138 794039 a-Alanine, conf. I
179817.3282 1.5396 -5.4816 3 700.7505477 89502 303794139 794040 a-Alanine, conf. I
179841.0417 11.9156 -6.4333 3 1258.0050675 89502 303B23478 B23379 a-Alanine, conf. I
179851.7377 11.8907 -6.4332 3 1258.0050675 89502 303B23578 B23479 a-Alanine, conf. I
179866.8110 0.9968 -5.2996 3 402.8097411 89502 30368 860 68 761 a-Alanine, conf. I
179866.8110 0.9968 -5.2996 3 402.8097411 89502 30368 960 68 861 a-Alanine, conf. I
179868.4314 0.2536 -5.3086 3 309.0425279 89502 3034639 7 4638 8 a-Alanine, conf. I
179868.4314 0.2536 -5.3086 3 309.0425279 89502 3034639 8 4638 9 a-Alanine, conf. I
179891.0596 0.1781 -5.0586 3 106.3544195 89502 303321418 311417 a-Alanine, conf. I
179894.5266 0.0766 -5.5308 3 152.8492201 89502 3033327 6 3227 5 a-Alanine, conf. I
179894.5266 0.0766 -5.5308 3 152.8492201 89502 3033327 7 3227 6 a-Alanine, conf. I
179924.2156 1.1559 -5.3747 3 342.0878387 89502 30364 559 64 460 a-Alanine, conf. I
179924.2156 1.1559 -5.3747 3 342.0878387 89502 30364 659 64 560 a-Alanine, conf. I
179941.9940 0.0414 -6.0900 3 47.2778147 89502 30324 321 23 221 a-Alanine, conf. I
179942.0304 0.0414 -6.0900 3 47.2778147 89502 30324 421 23 321 a-Alanine, conf. I
179984.5216 0.2640 -5.3453 3 300.6883273 89502 3034539 6 4538 7 a-Alanine, conf. I
179984.5216 0.2640 -5.3453 3 300.6883273 89502 3034539 7 4538 8 a-Alanine, conf. I
179999.1301 0.0160 -5.6401 3 50.3757111 89502 3031818 0 1717 0 a-Alanine, conf. I
179999.1190 0.0300 -4.4772 3 50.3757111 -89502 3031818 0 1717 1 a-Alanine, conf. I
179999.1190 0.0300 -4.4772 3 50.3757111 -89502 3031818 1 1717 0 a-Alanine, conf. I
179999.1301 0.0160 -5.6401 3 50.3757111 89502 3031818 1 1717 1 a-Alanine, conf. I
180004.0974 1.2945 -6.0990 3 479.4049387 89502 303643727 633826 a-Alanine, conf. I
180004.0974 1.2945 -6.0990 3 479.4049387 89502 303643728 633825 a-Alanine, conf. I
180006.4323 6.6928 -5.9705 3 991.0642603 89502 303A02872 A02773 a-Alanine, conf. I
180006.5395 6.6926 -5.9705 3 991.0642603 89502 303A02972 A02873 a-Alanine, conf. I
180027.0069 2.1368 -6.3839 3 162.5431243 89502 303401426 401129 a-Alanine, conf. I
180033.7167 0.0712 -5.4619 3 148.7215201 89502 3033326 7 3226 6 a-Alanine, conf. I
180033.7167 0.0712 -5.4619 3 148.7215201 89502 3033326 8 3226 7 a-Alanine, conf. I
180068.7186 0.7550 -5.2687 3 533.1662405 89502 303674027 673928 a-Alanine, conf. I
180068.7186 0.7550 -5.2687 3 533.1662405 89502 303674028 673929 a-Alanine, conf. I
180076.2916 0.7286 -5.4326 3 210.0727273 89502 303451828 441925 a-Alanine, conf. I
180092.8081 0.2763 -5.3913 3 292.5182267 89502 3034439 5 4438 6 a-Alanine, conf. I
180092.8081 0.2763 -5.3913 3 292.5182267 89502 3034439 6 4438 7 a-Alanine, conf. I
180101.8441 4.0473 -5.6786 3 807.2511549 89502 303912368 912269 a-Alanine, conf. I
180101.8448 4.0473 -5.6786 3 807.2511549 89502 303912468 912369 a-Alanine, conf. I
180121.8883 0.1400 -5.0403 3 104.4906195 89502 303321320 311319 a-Alanine, conf. I
180163.0287 0.0310 -6.4312 3 25.6335111 89502 30318 315 17 216 a-Alanine, conf. I
180174.5501 0.0582 -5.0147 3 100.9668195 89502 303321022 311021 a-Alanine, conf. I
180176.2062 0.0309 -6.4311 3 25.6335111 89502 30318 415 17 116 a-Alanine, conf. I
180191.2529 0.0683 -5.4023 3 144.7554201 89502 3033325 8 3225 7 a-Alanine, conf. I
180191.2529 0.0683 -5.4023 3 144.7554201 89502 3033325 9 3225 8 a-Alanine, conf. I
180193.6530 0.2901 -5.4498 3 284.5320261 89502 3034339 4 4338 5 a-Alanine, conf. I
180193.6530 0.2901 -5.4498 3 284.5320261 89502 3034339 5 4338 6 a-Alanine, conf. I
180218.8272 2.3249 -5.6771 3 829.5161525 89502 303874245 874146 a-Alanine, conf. I
180218.8277 2.3249 -5.6771 3 829.5161525 89502 303874246 874147 a-Alanine, conf. I
180223.9108 2.9229 -5.5410 3 711.1462519 89502 303862066 861967 a-Alanine, conf. I
180223.9108 2.9229 -5.5410 3 711.1462519 89502 303862166 862067 a-Alanine, conf. I
180237.4537 10.8294 -6.3493 3 1211.4890663 89502 303B03377 B03278 a-Alanine, conf. I
180242.5789 10.8179 -6.3493 3 1211.4890663 89502 303B03477 B03378 a-Alanine, conf. I
180246.6292 1.1251 -6.4092 3 417.0182387 89502 303642143 632440 a-Alanine, conf. I
180287.4070 0.3050 -5.5262 3 276.7296255 89502 3034239 3 4238 4 a-Alanine, conf. I
180287.4070 0.3050 -5.5262 3 276.7296255 89502 3034239 4 4238 5 a-Alanine, conf. I
180315.0318 7.3815 -6.0408 3 1033.5155615 89502 303A22973 A22874 a-Alanine, conf. I
180315.2701 7.3810 -6.0408 3 1033.5155615 89502 303A23073 A22974 a-Alanine, conf. I
180357.8855 0.0579 -4.5938 3 109.0512207 89502 30334 826 33 925 a-Alanine, conf. I
180362.9054 1.4970 -5.9162 3 269.8395357 89502 30359 158 59 059 a-Alanine, conf. I
180362.9054 1.4970 -5.9162 3 269.8395357 89502 30359 258 59 159 a-Alanine, conf. I
180366.4800 0.0580 -4.9976 3 109.0512207 89502 30334 926 33 925 a-Alanine, conf. I
180370.4897 0.0681 -5.3499 3 140.9516201 89502 3033324 9 3224 8 a-Alanine, conf. I
180370.4897 0.0681 -5.3499 3 140.9516201 89502 303332410 3224 9 a-Alanine, conf. I
180374.4105 0.3207 -5.6308 3 269.1109249 89502 3034139 2 4138 3 a-Alanine, conf. I
180374.4105 0.3207 -5.6308 3 269.1109249 89502 3034139 3 4138 4 a-Alanine, conf. I
180377.6407 0.0580 -4.9975 3 109.0505207 89502 30334 826 33 825 a-Alanine, conf. I
180386.2352 0.0581 -4.5936 3 109.0505207 89502 30334 926 33 825 a-Alanine, conf. I
180395.9102 1.4521 -5.4596 3 686.2433471 89502 303784137 784038 a-Alanine, conf. I
180395.9102 1.4521 -5.4596 3 686.2433471 89502 303784138 784039 a-Alanine, conf. I
180424.8529 3.2751 -5.8790 3 952.8505567 89502 303944351 944252 a-Alanine, conf. I
180424.8705 3.2751 -5.8790 3 952.8505567 89502 303944352 944253 a-Alanine, conf. I
180425.4570 0.7039 -5.2562 3 520.9143399 89502 303664026 663927 a-Alanine, conf. I
180425.4570 0.7039 -5.2562 3 520.9143399 89502 303664027 663928 a-Alanine, conf. I
180447.3458 1.3270 -6.1400 3 496.9740393 89502 303653827 643926 a-Alanine, conf. I
180447.3458 1.3270 -6.1400 3 496.9740393 89502 303653828 643925 a-Alanine, conf. I
180454.9939 0.3369 -5.7868 3 261.6755243 89502 3034039 1 4038 2 a-Alanine, conf. I
180454.9939 0.3369 -5.7868 3 261.6755243 89502 3034039 2 4038 3 a-Alanine, conf. I
180471.6120 9.8456 -6.2681 3 1165.7779651 89502 303A83276 A83177 a-Alanine, conf. I
180474.0374 9.8404 -6.2681 3 1165.7780651 89502 303A83376 A83277 a-Alanine, conf. I
180500.7626 8.1315 -6.1138 3 1076.7873627 89502 303A43074 A42975 a-Alanine, conf. I
180501.2857 8.1304 -6.1138 3 1076.7873627 89502 303A43174 A43075 a-Alanine, conf. I
180529.4773 0.3534 -6.0680 3 254.4235237 89502 3033939 0 3938 1 a-Alanine, conf. I
180529.4773 0.3534 -6.0680 3 254.4235237 89502 3033939 1 3938 2 a-Alanine, conf. I
180555.9173 8.9499 -6.1896 3 1120.8761639 89502 303A63175 A63076 a-Alanine, conf. I
180557.0508 8.9476 -6.1896 3 1120.8761639 89502 303A63275 A63176 a-Alanine, conf. I
180575.6486 0.0704 -5.3033 3 137.3113201 89502 303332310 3223 9 a-Alanine, conf. I
180575.6486 0.0704 -5.3033 3 137.3113201 89502 303332311 322310 a-Alanine, conf. I
180589.2955 0.0884 -5.7370 3 60.2938153 89502 30325 917 24 817 a-Alanine, conf. I
180597.8637 1.0175 -5.2967 3 449.2127429 89502 303711061 71 962 a-Alanine, conf. I
180597.8637 1.0175 -5.2967 3 449.2127429 89502 303711161 711062 a-Alanine, conf. I
180612.7338 5.7724 -6.2874 3 1187.5395639 89502 303A64561 A64462 a-Alanine, conf. I
180614.8136 5.7676 -6.2874 3 1187.5394639 89502 303A64562 A64463 a-Alanine, conf. I
180650.2498 0.1264 -5.0086 3 96.1425189 89502 303311120 301119 a-Alanine, conf. I
180738.2199 0.0105 -5.6526 3 51.0663117 89502 3031917 2 1816 2 a-Alanine, conf. I
180738.2199 0.0105 -4.5097 3 51.0663117 89502 3031917 2 1816 3 a-Alanine, conf. I
180738.2199 0.0105 -4.5097 3 51.0663117 89502 3031917 3 1816 2 a-Alanine, conf. I
180738.2199 0.0105 -5.6526 3 51.0663117 89502 3031917 3 1816 3 a-Alanine, conf. I
180764.6974 0.6553 -5.2448 3 508.8504393 89502 303654025 653926 a-Alanine, conf. I
180764.6974 0.6553 -5.2448 3 508.8504393 89502 303654026 653927 a-Alanine, conf. I
180812.1291 0.0751 -5.2614 3 133.8356201 89502 303332211 322210 a-Alanine, conf. I
180812.1291 0.0751 -5.2614 3 133.8356201 89502 303332212 322211 a-Alanine, conf. I
180818.4427 0.1726 -5.6339 3 41.2294129 89502 30321 714 20 615 a-Alanine, conf. I
180823.1829 0.0527 -6.2479 3 45.1256147 89502 30324 222 23 122 a-Alanine, conf. I
180823.1840 0.0527 -6.2479 3 45.1256147 89502 30324 322 23 222 a-Alanine, conf. I
180848.0604 4.3444 -6.0732 3 1066.7904603 89502 303A04456 A04357 a-Alanine, conf. I
180848.2741 4.3440 -6.0732 3 1066.7904603 89502 303A04457 A04358 a-Alanine, conf. I
180889.4822 1.2541 -5.4324 3 325.9582381 89502 30363 459 63 360 a-Alanine, conf. I
180889.4822 1.2541 -5.4324 3 325.9582381 89502 30363 559 63 460 a-Alanine, conf. I
180901.4024 0.1348 -4.7826 3 107.0778201 89502 303331023 321122 a-Alanine, conf. I
180903.8314 1.3602 -6.1815 3 514.8800399 89502 303663927 654026 a-Alanine, conf. I
180903.8314 1.3602 -6.1815 3 514.8800399 89502 303663928 654025 a-Alanine, conf. I
180915.9090 2.3282 -5.4674 3 654.8296501 89502 303831865 831766 a-Alanine, conf. I
180915.9090 2.3282 -5.4674 3 654.8296501 89502 303831965 831866 a-Alanine, conf. I
180916.9313 0.0287 -5.6896 3 63.1873153 89502 303251114 241014 a-Alanine, conf. I
180941.4773 0.0928 -4.9115 3 117.5956237 89502 30339 138 38 137 a-Alanine, conf. I
180941.4773 0.0928 -4.2939 3 117.5956237 89502 30339 138 38 237 a-Alanine, conf. I
180941.4773 0.0928 -4.2939 3 117.5956237 89502 30339 238 38 137 a-Alanine, conf. I
180941.4773 0.0928 -4.9115 3 117.5956237 89502 30339 238 38 237 a-Alanine, conf. I
180948.0542 1.3689 -5.4383 3 671.9266465 89502 303774136 774037 a-Alanine, conf. I
180948.0542 1.3689 -5.4383 3 671.9266465 89502 303774137 774038 a-Alanine, conf. I
180950.6087 0.0661 -5.7075 3 61.6762153 89502 303251016 24 916 a-Alanine, conf. I
180956.5831 4.5069 -5.7356 3 845.9538561 89502 303932469 932370 a-Alanine, conf. I
180956.5848 4.5069 -5.7356 3 845.9538561 89502 303932569 932470 a-Alanine, conf. I
180977.1093 2.1975 -5.6497 3 813.4996519 89502 303864244 864145 a-Alanine, conf. I
180977.1095 2.1975 -5.6497 3 813.4996519 89502 303864245 864146 a-Alanine, conf. I
180981.7838 1.4309 -5.3966 3 191.2628261 89502 303431726 421825 a-Alanine, conf. I
180984.8943 1.0538 -5.3161 3 385.7650405 89502 30367 760 67 661 a-Alanine, conf. I
180984.8943 1.0538 -5.3161 3 385.7650405 89502 30367 860 67 761 a-Alanine, conf. I
181086.9727 0.0817 -5.2233 3 130.5262201 89502 303332112 322111 a-Alanine, conf. I
181086.9727 0.0817 -5.2233 3 130.5262201 89502 303332113 322112 a-Alanine, conf. I
181087.1550 0.6091 -5.2343 3 496.9740387 89502 303644024 643925 a-Alanine, conf. I
181087.1550 0.6091 -5.2343 3 496.9740387 89502 303644025 643926 a-Alanine, conf. I
181088.4011 1.1649 -5.3165 3 497.6329447 89502 303741262 741163 a-Alanine, conf. I
181088.4011 1.1649 -5.3165 3 497.6329447 89502 303741362 741263 a-Alanine, conf. I
181164.1478 0.1116 -5.7771 3 36.3326123 89502 30320 614 19 515 a-Alanine, conf. I
181212.1693 0.0572 -4.9482 3 116.0545225 89502 30337 433 36 432 a-Alanine, conf. I
181212.1693 0.0572 -4.3913 3 116.0545225 89502 30337 433 36 532 a-Alanine, conf. I
181212.1693 0.0572 -4.3913 3 116.0545225 89502 30337 533 36 432 a-Alanine, conf. I
181212.1693 0.0572 -4.9482 3 116.0545225 89502 30337 533 36 532 a-Alanine, conf. I
181270.9830 1.8337 -5.4044 3 600.4590483 89502 303801664 801565 a-Alanine, conf. I
181270.9830 1.8337 -5.4044 3 600.4590483 89502 303801764 801665 a-Alanine, conf. I
181283.7767 0.1040 -5.7761 3 58.7730153 89502 30325 718 24 618 a-Alanine, conf. I
181319.9603 1.4420 -5.3535 3 548.0541465 89502 303771463 771364 a-Alanine, conf. I
181319.9603 1.4420 -5.3535 3 548.0541465 89502 303771563 771464 a-Alanine, conf. I
181352.3400 3.2851 -5.5899 3 747.7253531 89502 303882167 882068 a-Alanine, conf. I
181352.3400 3.2851 -5.5899 3 747.7253531 89502 303882267 882168 a-Alanine, conf. I
181367.4217 3.0942 -5.8472 3 935.5103561 89502 303934350 934251 a-Alanine, conf. I
181367.4294 3.0942 -5.8472 3 935.5103561 89502 303934351 934252 a-Alanine, conf. I
181372.0163 1.3943 -6.2237 3 533.1227405 89502 303674027 664126 a-Alanine, conf. I
181372.0163 1.3943 -6.2237 3 533.1227405 89502 303674028 664125 a-Alanine, conf. I
181388.3931 0.1208 -4.9134 3 67.9848159 89502 303261116 251015 a-Alanine, conf. I
181393.5115 0.5652 -5.2250 3 485.2851381 89502 303634023 633924 a-Alanine, conf. I
181393.5115 0.5652 -5.2250 3 485.2851381 89502 303634024 633925 a-Alanine, conf. I
181409.5840 0.0900 -5.1886 3 127.3852201 89502 303332014 322013 a-Alanine, conf. I
181409.5843 0.0900 -5.1886 3 127.3852201 89502 303332013 322012 a-Alanine, conf. I
181463.3956 0.0092 -5.6632 3 52.1101123 89502 3032016 4 1915 4 a-Alanine, conf. I
181463.3956 0.0092 -4.5445 3 52.1101123 89502 3032016 4 1915 5 a-Alanine, conf. I
181463.3956 0.0092 -4.5445 3 52.1101123 89502 3032016 5 1915 4 a-Alanine, conf. I
181463.3956 0.0092 -5.6632 3 52.1101123 89502 3032016 5 1915 5 a-Alanine, conf. I
181474.9538 1.2898 -5.4178 3 657.8001459 89502 303764135 764036 a-Alanine, conf. I
181474.9538 1.2898 -5.4178 3 657.8001459 89502 303764136 764037 a-Alanine, conf. I
181499.4832 0.2561 -4.9052 3 89.3197183 89502 303301120 291019 a-Alanine, conf. I
181603.4651 0.0595 -4.5227 3 112.6339213 89502 30335 728 34 827 a-Alanine, conf. I
181603.7071 0.0595 -4.9810 3 112.6339213 89502 30335 828 34 827 a-Alanine, conf. I
181604.0630 0.0596 -4.9810 3 112.6339213 89502 30335 728 34 727 a-Alanine, conf. I
181604.3050 0.0596 -4.5227 3 112.6339213 89502 30335 828 34 727 a-Alanine, conf. I
181633.8573 1.1767 -5.4413 3 221.1374279 89502 303461927 452026 a-Alanine, conf. I
181684.4182 0.5237 -5.2167 3 473.7834375 89502 303624022 623923 a-Alanine, conf. I
181684.4182 0.5237 -5.2167 3 473.7834375 89502 303624023 623924 a-Alanine, conf. I
181701.1312 2.0774 -5.6230 3 797.6755513 89502 303854243 854144 a-Alanine, conf. I
181701.1313 2.0774 -5.6230 3 797.6755513 89502 303854244 854145 a-Alanine, conf. I
181717.5829 5.0053 -5.7956 3 885.4933573 89502 303952570 952471 a-Alanine, conf. I
181717.5870 5.0053 -5.7956 3 885.4933573 89502 303952670 952571 a-Alanine, conf. I
181732.7632 0.0530 -5.7160 3 37.6071123 89502 30320 813 19 514 a-Alanine, conf. I
181792.9089 0.0998 -5.1567 3 124.4153201 89502 303331915 321914 a-Alanine, conf. I
181792.9151 0.0998 -5.1567 3 124.4153201 89502 303331914 321913 a-Alanine, conf. I
181798.1229 0.2557 -4.9363 3 83.7059177 89502 303291119 281018 a-Alanine, conf. I
181809.5252 1.3585 -5.5187 3 310.0522375 89502 30362 359 62 260 a-Alanine, conf. I
181809.5252 1.3585 -5.5187 3 310.0522375 89502 30362 459 62 360 a-Alanine, conf. I
181829.6837 1.0192 -5.2993 3 431.4823423 89502 30370 961 70 862 a-Alanine, conf. I
181829.6837 1.0192 -5.2993 3 431.4823423 89502 303701061 70 962 a-Alanine, conf. I
181850.5596 1.4293 -6.2664 3 551.7019411 89502 303684127 674226 a-Alanine, conf. I
181850.5596 1.4293 -6.2664 3 551.7019411 89502 303684128 674225 a-Alanine, conf. I
181860.4111 0.2258 -4.8594 3 95.0791189 89502 303311121 301020 a-Alanine, conf. I
181864.2415 2.5991 -5.8200 3 243.4115297 89502 303491733 481830 a-Alanine, conf. I
181934.7785 5.4272 -6.2480 3 1167.9294633 89502 303A54560 A54461 a-Alanine, conf. I
181935.7949 5.4249 -6.2480 3 1167.9293633 89502 303A54561 A54462 a-Alanine, conf. I
181960.4980 0.4845 -5.2097 3 462.4686369 89502 303614021 613922 a-Alanine, conf. I
181960.4980 0.4845 -5.2097 3 462.4686369 89502 303614022 613923 a-Alanine, conf. I
181963.7447 4.0978 -6.0376 3 1048.3166597 89502 303994455 994356 a-Alanine, conf. I
181963.8435 4.0976 -6.0376 3 1048.3166597 89502 303994456 994357 a-Alanine, conf. I
181977.7278 1.2144 -5.3982 3 643.8634453 89502 303754134 754035 a-Alanine, conf. I
181977.7278 1.2144 -5.3982 3 643.8634453 89502 303754135 754036 a-Alanine, conf. I
182008.1313 0.0855 -5.7730 3 58.7802153 89502 30325 818 24 718 a-Alanine, conf. I
182013.6491 0.7317 -6.3450 3 148.2012231 89502 303381524 381227 a-Alanine, conf. I
182021.5122 2.0190 -6.4122 3 429.1109393 89502 303652144 642441 a-Alanine, conf. I
182050.7089 1.1314 -5.3422 3 368.9389399 89502 30366 660 66 561 a-Alanine, conf. I
182050.7089 1.1314 -5.3422 3 368.9389399 89502 30366 760 66 661 a-Alanine, conf. I
182154.7882 0.0109 -4.5831 3 53.5139129 89502 3032115 7 2014 6 a-Alanine, conf. I
182154.7884 0.0109 -5.6719 3 53.5139129 89502 3032115 6 2014 6 a-Alanine, conf. I
182154.7893 0.0109 -5.6719 3 53.5139129 89502 3032115 7 2014 7 a-Alanine, conf. I
182154.7895 0.0109 -4.5831 3 53.5139129 89502 3032115 6 2014 7 a-Alanine, conf. I
182202.6759 1.2641 -5.2586 3 147.1206231 89502 303381424 371523 a-Alanine, conf. I
182211.0405 2.6352 -5.5107 3 690.1141513 89502 303851966 851867 a-Alanine, conf. I
182211.0405 2.6352 -5.5107 3 690.1141513 89502 303852066 851967 a-Alanine, conf. I
182222.3471 0.4479 -5.2040 3 451.3405363 89502 303604020 603921 a-Alanine, conf. I
182222.3471 0.4479 -5.2040 3 451.3405363 89502 303604021 603922 a-Alanine, conf. I
182238.1897 0.2262 -4.9465 3 78.2621171 89502 303281118 271017 a-Alanine, conf. I
182255.4526 0.1111 -5.1271 3 121.6201201 89502 303331816 321815 a-Alanine, conf. I
182255.5579 0.1111 -5.1271 3 121.6201201 89502 303331815 321814 a-Alanine, conf. I
182259.0554 0.8119 -5.9298 3 361.8244357 89502 303592336 592039 a-Alanine, conf. I
182260.5863 0.1772 -4.9365 3 73.0143165 89502 303271117 261016 a-Alanine, conf. I
182266.8147 2.9250 -5.8160 3 918.3641555 89502 303924349 924250 a-Alanine, conf. I
182266.8180 2.9250 -5.8160 3 918.3641555 89502 303924350 924251 a-Alanine, conf. I
182338.2861 1.4651 -6.3097 3 570.6175417 89502 303694227 684326 a-Alanine, conf. I
182338.2861 1.4651 -6.3097 3 570.6175417 89502 303694228 684325 a-Alanine, conf. I
182343.9512 0.1261 -4.8922 3 119.7022243 89502 30340 040 39 039 a-Alanine, conf. I
182343.9512 0.1261 -4.2590 3 119.7022243 89502 30340 040 39 139 a-Alanine, conf. I
182343.9512 0.1261 -4.2590 3 119.7022243 89502 30340 140 39 039 a-Alanine, conf. I
182343.9512 0.1261 -4.8922 3 119.7022243 89502 30340 140 39 139 a-Alanine, conf. I
182380.7594 5.5457 -5.8583 3 925.8665585 89502 303972671 972572 a-Alanine, conf. I
182380.7692 5.5457 -5.8583 3 925.8665585 89502 303972771 972672 a-Alanine, conf. I
182392.6153 1.9639 -5.5971 3 782.0432507 89502 303844242 844143 a-Alanine, conf. I
182392.6153 1.9639 -5.5971 3 782.0432507 89502 303844243 844144 a-Alanine, conf. I
182394.9277 3.1810 -6.0113 3 305.0793327 89502 303542232 541935 a-Alanine, conf. I
182398.5270 3.6790 -5.6419 3 785.1496543 89502 303902268 902169 a-Alanine, conf. I
182398.5271 3.6790 -5.6419 3 785.1496543 89502 303902368 902269 a-Alanine, conf. I
182423.1603 4.1431 -6.1314 3 246.8603297 89502 303491831 491534 a-Alanine, conf. I
182443.7912 1.0966 -5.3093 3 479.2246441 89502 303731162 731063 a-Alanine, conf. I
182443.7912 1.0966 -5.3093 3 479.2246441 89502 303731262 731163 a-Alanine, conf. I
182457.4266 1.1426 -5.3793 3 630.1164447 89502 303744133 744034 a-Alanine, conf. I
182457.4266 1.1426 -5.3793 3 630.1164447 89502 303744134 744035 a-Alanine, conf. I
182461.8453 0.5007 -6.2905 3 157.5593237 89502 303391624 391327 a-Alanine, conf. I
182470.5374 0.4138 -5.1995 3 440.3989357 89502 303594019 593920 a-Alanine, conf. I
182470.5374 0.4138 -5.1995 3 440.3989357 89502 303594020 593921 a-Alanine, conf. I
182524.6948 0.0651 -5.0044 3 107.0778201 89502 303331123 321122 a-Alanine, conf. I
182625.8275 0.0627 -4.9293 3 118.7681231 89502 30338 335 37 334 a-Alanine, conf. I
182625.8275 0.0627 -4.3487 3 118.7681231 89502 30338 335 37 434 a-Alanine, conf. I
182625.8275 0.0627 -4.3487 3 118.7681231 89502 30338 435 37 334 a-Alanine, conf. I
182625.8275 0.0627 -4.9293 3 118.7681231 89502 30338 435 37 434 a-Alanine, conf. I
182686.6011 1.4667 -5.6567 3 294.3714369 89502 30361 259 61 160 a-Alanine, conf. I
182686.6011 1.4667 -5.6567 3 294.3714369 89502 30361 359 61 260 a-Alanine, conf. I
182701.9770 0.2551 -5.0266 3 104.5874195 89502 303321319 311318 a-Alanine, conf. I
182705.6177 0.3825 -5.1966 3 429.6436351 89502 303584018 583919 a-Alanine, conf. I
182705.6177 0.3825 -5.1966 3 429.6436351 89502 303584019 583920 a-Alanine, conf. I
182719.1038 2.0883 -5.4416 3 634.4390495 89502 303821765 821666 a-Alanine, conf. I
182719.1038 2.0883 -5.4416 3 634.4390495 89502 303821865 821766 a-Alanine, conf. I
182772.9916 0.0134 -4.6275 3 55.2886135 89502 3032214 9 2113 8 a-Alanine, conf. I
182773.0149 0.0134 -5.6784 3 55.2886135 89502 3032214 8 2113 8 a-Alanine, conf. I
182773.1326 0.0134 -5.6784 3 55.2886135 89502 3032214 9 2113 9 a-Alanine, conf. I
182773.1559 0.0134 -4.6275 3 55.2886135 89502 3032214 8 2113 9 a-Alanine, conf. I
182810.3267 1.3073 -5.3389 3 528.9761459 89502 303761363 761264 a-Alanine, conf. I
182810.3267 1.3073 -5.3389 3 528.9761459 89502 303761463 761364 a-Alanine, conf. I
182824.6920 0.1242 -5.0995 3 119.0049201 89502 303331717 321716 a-Alanine, conf. I
182826.1678 0.1244 -5.0995 3 119.0049201 89502 303331716 321715 a-Alanine, conf. I
182834.1611 1.5020 -6.3536 3 589.8693423 89502 303704327 694426 a-Alanine, conf. I
182834.1611 1.5020 -6.3536 3 589.8693423 89502 303704328 694425 a-Alanine, conf. I
182909.7454 1.6430 -5.3838 3 580.7201477 89502 303791564 791465 a-Alanine, conf. I
182909.7454 1.6430 -5.3838 3 580.7201477 89502 303791664 791565 a-Alanine, conf. I
182915.0394 1.0740 -5.3612 3 616.5587441 89502 303734132 734033 a-Alanine, conf. I
182915.0394 1.0740 -5.3612 3 616.5587441 89502 303734133 734034 a-Alanine, conf. I
182928.1158 0.3541 -5.1951 3 419.0745345 89502 303574017 573918 a-Alanine, conf. I
182928.1158 0.3541 -5.1951 3 419.0745345 89502 303574018 573919 a-Alanine, conf. I
182937.6518 0.0602 -4.4639 3 115.9936219 89502 30336 630 35 729 a-Alanine, conf. I
182937.6566 0.0602 -4.9635 3 115.9936219 89502 30336 730 35 729 a-Alanine, conf. I
182937.6644 0.0602 -4.9635 3 115.9936219 89502 30336 630 35 629 a-Alanine, conf. I
182937.6693 0.0602 -4.4639 3 115.9936219 89502 30336 730 35 629 a-Alanine, conf. I
182941.5983 6.1315 -5.9239 3 967.0704597 89502 303992772 992673 a-Alanine, conf. I
182941.6209 6.1315 -5.9239 3 967.0704597 89502 303992872 992773 a-Alanine, conf. I
183003.9812 1.0539 -5.3079 3 413.9668417 89502 30369 861 69 762 a-Alanine, conf. I
183003.9812 1.0539 -5.3079 3 413.9668417 89502 30369 961 69 862 a-Alanine, conf. I
183027.0204 3.8692 -6.0028 3 1030.0383591 89502 303984454 984355 a-Alanine, conf. I
183027.0654 3.8691 -6.0028 3 1030.0383591 89502 303984455 984356 a-Alanine, conf. I
183053.1541 1.8565 -5.5719 3 766.6025501 89502 303834241 834142 a-Alanine, conf. I
183053.1542 1.8565 -5.5719 3 766.6025501 89502 303834242 834143 a-Alanine, conf. I
183067.0517 1.2236 -5.3811 3 352.3330393 89502 30365 560 65 461 a-Alanine, conf. I
183067.0517 1.2236 -5.3811 3 352.3330393 89502 30365 660 65 561 a-Alanine, conf. I
183124.3629 0.0522 -6.3143 3 31.5227111 89502 30318 910 17 611 a-Alanine, conf. I
183125.4739 2.7665 -5.7856 3 901.4114549 89502 303914348 914249 a-Alanine, conf. I
183125.4753 2.7665 -5.7856 3 901.4114549 89502 303914349 914250 a-Alanine, conf. I
183126.6337 0.1265 -6.4049 3 51.4526141 89502 30323 914 22 715 a-Alanine, conf. I
183138.5391 0.3288 -5.1954 3 408.6912339 89502 303564016 563917 a-Alanine, conf. I
183138.5391 0.3288 -5.1954 3 408.6912339 89502 303564017 563918 a-Alanine, conf. I
183143.5687 0.0179 -4.7566 3 60.0399147 89502 303241213 231112 a-Alanine, conf. I
183191.6576 5.1108 -6.2095 3 1148.5163627 89502 303A44559 A44460 a-Alanine, conf. I
183192.1469 5.1097 -6.2095 3 1148.5163627 89502 303A44560 A44461 a-Alanine, conf. I
183199.6997 1.9172 -5.9505 3 350.5569351 89502 303582335 582038 a-Alanine, conf. I
183203.2133 0.1759 -4.8072 3 100.9668195 89502 303321122 311021 a-Alanine, conf. I
183216.6969 0.0182 -5.6851 3 60.0399147 89502 303241212 231112 a-Alanine, conf. I
183229.2575 0.0162 -4.6820 3 57.4517141 89502 303231311 221210 a-Alanine, conf. I
183231.0347 0.0162 -5.6826 3 57.4517141 89502 303231310 221210 a-Alanine, conf. I
183238.2534 0.0163 -5.6826 3 57.4514141 89502 303231311 221211 a-Alanine, conf. I
183240.0306 0.0163 -4.6819 3 57.4514141 89502 303231310 221211 a-Alanine, conf. I
183241.4862 6.9935 -6.3092 3 375.5212369 89502 303612042 602139 a-Alanine, conf. I
183325.0492 2.1631 -6.2680 3 195.7179261 89502 303431924 431627 a-Alanine, conf. I
183337.2695 1.5397 -6.3981 3 609.4572429 89502 303714427 704526 a-Alanine, conf. I
183337.2695 1.5397 -6.3981 3 609.4572429 89502 303714428 704525 a-Alanine, conf. I
183337.3767 0.3071 -5.1975 3 398.4936333 89502 303554015 553916 a-Alanine, conf. I
183337.3767 0.3071 -5.1975 3 398.4936333 89502 303554016 553917 a-Alanine, conf. I
183351.4989 1.0086 -5.3439 3 603.1900435 89502 303724131 724032 a-Alanine, conf. I
183351.4989 1.0086 -5.3439 3 603.1900435 89502 303724132 724033 a-Alanine, conf. I
183359.5086 4.1066 -5.6969 3 823.4163555 89502 303922369 922270 a-Alanine, conf. I
183359.5090 4.1066 -5.6969 3 823.4163555 89502 303922469 922370 a-Alanine, conf. I
183379.3805 1.1183 -5.6858 3 332.2408333 89502 303552729 542826 a-Alanine, conf. I
183379.4558 1.1183 -5.6858 3 332.2408333 89502 303552728 542827 a-Alanine, conf. I
183395.0875 6.7669 -5.9922 3 1009.1018609 89502 303A12873 A12774 a-Alanine, conf. I
183395.1393 6.7668 -5.9922 3 1009.1018609 89502 303A12973 A12874 a-Alanine, conf. I
183395.3830 1.0994 -5.6500 3 318.2215327 89502 303542629 532726 a-Alanine, conf. I
183395.7304 1.0995 -5.6500 3 318.2215327 89502 303542628 532727 a-Alanine, conf. I
183409.0564 0.1402 -6.3416 3 145.8037231 89502 303381325 371423 a-Alanine, conf. I
183430.1862 2.9710 -5.5573 3 726.2489525 89502 303872067 871968 a-Alanine, conf. I
183430.1862 2.9710 -5.5573 3 726.2489525 89502 303872167 872068 a-Alanine, conf. I
183441.3066 0.0202 -5.6843 3 60.0300147 89502 303241213 231113 a-Alanine, conf. I
183442.6628 1.1397 -5.7220 3 346.6010339 89502 303562829 552926 a-Alanine, conf. I
183442.6786 1.1397 -5.7220 3 346.6010339 89502 303562828 552927 a-Alanine, conf. I
183508.4271 1.0835 -5.6146 3 304.5442321 89502 303532529 522626 a-Alanine, conf. I
183509.9662 1.0840 -5.6146 3 304.5442321 89502 303532528 522627 a-Alanine, conf. I
183514.4348 0.0215 -4.7553 3 60.0300147 89502 303241212 231113 a-Alanine, conf. I
183522.7989 1.5767 -5.9202 3 278.9172363 89502 30360 159 60 060 a-Alanine, conf. I
183522.7989 1.5767 -5.9202 3 278.9172363 89502 30360 259 60 160 a-Alanine, conf. I
183525.1000 0.2891 -5.2017 3 388.4816327 89502 303544014 543915 a-Alanine, conf. I
183525.1000 0.2891 -5.2017 3 388.4816327 89502 303544015 543916 a-Alanine, conf. I
183540.3217 0.1397 -5.0735 3 116.5769201 89502 303331618 321617 a-Alanine, conf. I
183557.1433 0.1411 -5.0734 3 116.5772201 89502 303331617 321616 a-Alanine, conf. I
183571.5089 1.1631 -5.7587 3 361.3017345 89502 303572929 563026 a-Alanine, conf. I
183571.5121 1.1631 -5.7587 3 361.3017345 89502 303572928 563027 a-Alanine, conf. I
183626.3708 0.0615 -4.6446 3 111.2014207 89502 30334 925 331024 a-Alanine, conf. I
183684.2244 1.7547 -5.5474 3 751.3531495 89502 303824240 824141 a-Alanine, conf. I
183684.2244 1.7547 -5.5474 3 751.3531495 89502 303824241 824142 a-Alanine, conf. I
183697.1842 0.0708 -5.8186 3 57.1011153 89502 30325 619 24 519 a-Alanine, conf. I
183702.1637 0.2751 -5.2080 3 378.6548321 89502 303534013 533914 a-Alanine, conf. I
183702.1637 0.2751 -5.2080 3 378.6548321 89502 303534014 533915 a-Alanine, conf. I
183723.1491 0.0606 -4.9901 3 111.2014207 89502 303341025 331024 a-Alanine, conf. I
183735.5863 1.0665 -5.3064 3 461.0273435 89502 303721062 72 963 a-Alanine, conf. I
183735.5863 1.0665 -5.3064 3 461.0273435 89502 303721162 721063 a-Alanine, conf. I
183735.6337 7.4566 -6.0633 3 1051.9574621 89502 303A32974 A32875 a-Alanine, conf. I
183735.7506 7.4563 -6.0633 3 1051.9574621 89502 303A33074 A32975 a-Alanine, conf. I
183741.4774 1.0713 -5.5796 3 291.2097315 89502 303522429 512526 a-Alanine, conf. I
183748.0054 1.0732 -5.5796 3 291.2097315 89502 303522428 512527 a-Alanine, conf. I
183755.1861 1.1882 -5.7958 3 376.3421351 89502 303583029 573126 a-Alanine, conf. I
183755.1867 1.1882 -5.7958 3 376.3421351 89502 303583028 573127 a-Alanine, conf. I
183767.6867 0.9462 -5.3275 3 590.0100429 89502 303714130 714031 a-Alanine, conf. I
183767.6867 0.9462 -5.3275 3 590.0100429 89502 303714131 714032 a-Alanine, conf. I
183777.9053 0.0685 -5.8182 3 57.1017153 89502 30325 719 24 619 a-Alanine, conf. I
183829.2632 10.8869 -6.3745 3 1231.5499669 89502 303B13378 B13279 a-Alanine, conf. I
183831.9305 10.8807 -6.3745 3 1231.5499669 89502 303B13478 B13379 a-Alanine, conf. I
183833.5111 0.0606 -4.9895 3 111.1945207 89502 30334 925 33 924 a-Alanine, conf. I
183859.5594 0.2830 -5.4464 3 207.6965273 89502 303451729 441826 a-Alanine, conf. I
183869.0071 0.2653 -5.2170 3 369.0133315 89502 303524012 523913 a-Alanine, conf. I
183869.0071 0.2653 -5.2170 3 369.0133315 89502 303524013 523914 a-Alanine, conf. I
183930.0656 0.0618 -4.9964 3 106.9768201 89502 303331023 321022 a-Alanine, conf. I
183930.2893 0.0611 -4.6430 3 111.1945207 89502 303341025 33 924 a-Alanine, conf. I
183932.5205 0.0371 -5.6819 3 63.0346153 89502 303251115 241015 a-Alanine, conf. I
183945.6250 2.6175 -5.7559 3 884.6518543 89502 303904347 904248 a-Alanine, conf. I
183945.6255 2.6175 -5.7559 3 884.6518543 89502 303904348 904249 a-Alanine, conf. I
183956.9564 8.2061 -6.1370 3 1095.6337633 89502 303A53075 A52976 a-Alanine, conf. I
183957.2168 8.2056 -6.1370 3 1095.6337633 89502 303A53175 A53076 a-Alanine, conf. I
183985.1729 1.2148 -5.8334 3 391.7218357 89502 303593129 583226 a-Alanine, conf. I
183985.1730 1.2148 -5.8334 3 391.7218357 89502 303593128 583227 a-Alanine, conf. I
184012.5101 9.9125 -6.2926 3 1185.4338657 89502 303A93277 A93178 a-Alanine, conf. I
184013.7535 9.9097 -6.2926 3 1185.4338657 89502 303A93377 A93278 a-Alanine, conf. I
184026.0550 0.2598 -5.2288 3 359.5567309 89502 303514011 513912 a-Alanine, conf. I
184026.0550 0.2598 -5.2288 3 359.5567309 89502 303514012 513913 a-Alanine, conf. I
184035.9345 0.6811 -5.0284 3 123.0858213 89502 303351223 341322 a-Alanine, conf. I
184036.4876 1.3256 -5.4383 3 335.9490387 89502 30364 460 64 361 a-Alanine, conf. I
184036.4876 1.3256 -5.4383 3 335.9490387 89502 30364 560 64 461 a-Alanine, conf. I
184039.9085 0.0766 -4.9104 3 121.2928237 89502 30339 237 38 236 a-Alanine, conf. I
184039.9085 0.0766 -4.3096 3 121.2928237 89502 30339 237 38 336 a-Alanine, conf. I
184039.9085 0.0766 -4.3096 3 121.2928237 89502 30339 337 38 236 a-Alanine, conf. I
184039.9085 0.0766 -4.9104 3 121.2928237 89502 30339 337 38 336 a-Alanine, conf. I
184041.1982 3.6565 -5.9687 3 1011.9548585 89502 303974453 974354 a-Alanine, conf. I
184041.2183 3.6564 -5.9687 3 1011.9548585 89502 303974454 974355 a-Alanine, conf. I
184051.9518 9.0222 -6.2135 3 1140.1271645 89502 303A73176 A73077 a-Alanine, conf. I
184052.5244 9.0209 -6.2135 3 1140.1271645 89502 303A73276 A73177 a-Alanine, conf. I
184088.9924 6.3649 -6.3944 3 1253.4382657 89502 303A94663 A94564 a-Alanine, conf. I
184091.1490 6.3595 -6.3944 3 1253.4381657 89502 303A94664 A94565 a-Alanine, conf. I
184096.3787 2.3703 -5.4824 3 669.2741507 89502 303841866 841767 a-Alanine, conf. I
184096.3787 2.3703 -5.4824 3 669.2741507 89502 303841966 841867 a-Alanine, conf. I
184123.0259 1.0629 -5.5451 3 278.2193309 89502 303512329 502426 a-Alanine, conf. I
184123.9870 1.1156 -5.3239 3 396.6680411 89502 30368 761 68 662 a-Alanine, conf. I
184123.9870 1.1156 -5.3239 3 396.6680411 89502 30368 861 68 762 a-Alanine, conf. I
184149.4097 1.0701 -5.5449 3 278.2193309 89502 303512328 502427 a-Alanine, conf. I
184164.4377 0.8865 -5.3120 3 577.0185423 89502 303704129 704030 a-Alanine, conf. I
184164.4377 0.8865 -5.3120 3 577.0185423 89502 303704130 704031 a-Alanine, conf. I
184173.7180 0.2585 -5.2439 3 350.2849303 89502 303504010 503911 a-Alanine, conf. I
184173.7180 0.2585 -5.2439 3 350.2849303 89502 303504011 503912 a-Alanine, conf. I
184229.9898 1.2063 -5.3276 3 510.1048453 89502 303751263 751164 a-Alanine, conf. I
184229.9898 1.2063 -5.3276 3 510.1048453 89502 303751363 751264 a-Alanine, conf. I
184232.0520 4.5703 -5.7548 3 862.5226567 89502 303942470 942371 a-Alanine, conf. I
184232.0528 4.5703 -5.7548 3 862.5226567 89502 303942570 942471 a-Alanine, conf. I
184252.4624 0.1470 -5.6351 3 72.1161165 89502 303271017 26 917 a-Alanine, conf. I
184254.6061 1.2427 -5.8716 3 407.4404363 89502 303603228 593327 a-Alanine, conf. I
184254.6061 1.2427 -5.8716 3 407.4404363 89502 303603229 593326 a-Alanine, conf. I
184287.1991 1.6580 -5.5237 3 736.2945489 89502 303814239 814140 a-Alanine, conf. I
184287.1991 1.6580 -5.5237 3 736.2945489 89502 303814240 814141 a-Alanine, conf. I
184300.4944 5.7673 -6.1626 3 328.3534345 89502 303571939 562036 a-Alanine, conf. I
184312.3936 0.2611 -5.2630 3 341.1977297 89502 3034940 9 493910 a-Alanine, conf. I
184312.3936 0.2611 -5.2630 3 341.1977297 89502 303494010 493911 a-Alanine, conf. I
184319.8857 0.0604 -4.4130 3 119.1456225 89502 30337 532 36 631 a-Alanine, conf. I
184319.8858 0.0604 -4.9455 3 119.1456225 89502 30337 632 36 631 a-Alanine, conf. I
184319.8859 0.0604 -4.9455 3 119.1456225 89502 30337 532 36 531 a-Alanine, conf. I
184319.8859 0.0604 -4.4130 3 119.1456225 89502 30337 632 36 531 a-Alanine, conf. I
184388.1392 4.8194 -6.1717 3 1129.2998621 89502 303A34558 A34459 a-Alanine, conf. I
184388.3713 4.8189 -6.1717 3 1129.2998621 89502 303A34559 A34460 a-Alanine, conf. I
184432.9866 1.8719 -5.4182 3 614.2458489 89502 303811665 811566 a-Alanine, conf. I
184432.9866 1.8719 -5.4182 3 614.2458489 89502 303811765 811666 a-Alanine, conf. I
184433.8840 4.1970 -5.9942 3 284.2945321 89502 303531836 521933 a-Alanine, conf. I
184436.0654 0.1561 -5.0487 3 114.3465201 89502 303331519 321518 a-Alanine, conf. I
184442.4668 0.2671 -5.2866 3 332.2950291 89502 3034840 8 4839 9 a-Alanine, conf. I
184442.4668 0.2671 -5.2866 3 332.2950291 89502 3034840 9 483910 a-Alanine, conf. I
184469.3671 1.4796 -5.3659 3 561.1834471 89502 303781464 781365 a-Alanine, conf. I
184469.3671 1.4796 -5.3659 3 561.1834471 89502 303781564 781465 a-Alanine, conf. I
184542.5437 0.8295 -5.2974 3 564.2153417 89502 303694128 694029 a-Alanine, conf. I
184542.5437 0.8295 -5.2974 3 564.2153417 89502 303694129 694030 a-Alanine, conf. I
184557.8864 1.2717 -5.9102 3 423.4976369 89502 303613328 603427 a-Alanine, conf. I
184557.8864 1.2717 -5.9102 3 423.4976369 89502 303613329 603426 a-Alanine, conf. I
184564.3109 0.2760 -5.3160 3 323.5765285 89502 3034740 7 4739 8 a-Alanine, conf. I
184564.3109 0.2760 -5.3160 3 323.5765285 89502 3034740 8 4739 9 a-Alanine, conf. I
184570.9234 3.3371 -5.6071 3 763.2314537 89502 303892168 892069 a-Alanine, conf. I
184570.9235 3.3371 -5.6071 3 763.2314537 89502 303892268 892169 a-Alanine, conf. I
184585.4420 0.0322 -5.6602 3 67.9848159 89502 303261115 251015 a-Alanine, conf. I
184587.4917 0.1672 -5.0480 3 114.3502201 89502 303331518 321517 a-Alanine, conf. I
184678.2875 0.2874 -5.3525 3 315.0422279 89502 3034640 6 4639 7 a-Alanine, conf. I
184678.2875 0.2874 -5.3525 3 315.0422279 89502 3034640 7 4639 8 a-Alanine, conf. I
184682.7843 1.0566 -5.5110 3 265.5747303 89502 303502229 492326 a-Alanine, conf. I
184729.3047 2.4773 -5.7270 3 868.0849537 89502 303894346 894247 a-Alanine, conf. I
184729.3050 2.4773 -5.7270 3 868.0849537 89502 303894347 894248 a-Alanine, conf. I
184736.4149 0.0718 -5.7740 3 36.3297123 89502 30320 714 19 415 a-Alanine, conf. I
184783.8097 1.0814 -5.5104 3 265.5746303 89502 303502228 492327 a-Alanine, conf. I
184784.7476 0.3006 -5.3981 3 306.6919273 89502 3034540 5 4539 6 a-Alanine, conf. I
184784.7476 0.3006 -5.3981 3 306.6919273 89502 3034540 6 4539 7 a-Alanine, conf. I
184817.5680 0.1414 -6.3218 3 186.9584207 89502 3033433 1 3333 0 a-Alanine, conf. I
184817.5680 0.1414 -6.3218 3 186.9584207 89502 3033433 2 3333 1 a-Alanine, conf. I
184837.7397 0.0626 -4.5595 3 115.0675213 89502 30335 827 34 926 a-Alanine, conf. I
184841.4182 0.0626 -4.9754 3 115.0675213 89502 30335 927 34 926 a-Alanine, conf. I
184846.3343 0.0626 -4.9753 3 115.0673213 89502 30335 827 34 826 a-Alanine, conf. I
184850.0127 0.0627 -4.5594 3 115.0673213 89502 30335 927 34 826 a-Alanine, conf. I
184857.5970 0.3384 -4.8732 3 114.9669207 89502 303341123 331222 a-Alanine, conf. I
184863.3587 1.5662 -5.5007 3 721.4264483 89502 303804238 804139 a-Alanine, conf. I
184863.3587 1.5662 -5.5007 3 721.4264483 89502 303804239 804140 a-Alanine, conf. I
184884.0316 0.3153 -5.4563 3 298.5254267 89502 3034440 4 4439 5 a-Alanine, conf. I
184884.0316 0.3153 -5.4563 3 298.5254267 89502 3034440 5 4439 6 a-Alanine, conf. I
184890.3933 1.3018 -5.9494 3 439.8929375 89502 303623428 613527 a-Alanine, conf. I
184890.3933 1.3018 -5.9494 3 439.8929375 89502 303623429 613526 a-Alanine, conf. I
184896.3160 0.1277 -6.0163 3 181.8747207 89502 3033432 2 3332 1 a-Alanine, conf. I
184896.3160 0.1277 -6.0163 3 181.8747207 89502 3033432 3 3332 2 a-Alanine, conf. I
184902.7571 0.7752 -5.2836 3 551.6001411 89502 303684127 684028 a-Alanine, conf. I
184902.7571 0.7752 -5.2836 3 551.6001411 89502 303684128 684029 a-Alanine, conf. I
184954.4758 0.0459 -6.0895 3 34.9917117 89502 30319 911 18 612 a-Alanine, conf. I
184961.3777 1.4338 -5.5242 3 319.7885381 89502 30363 360 63 261 a-Alanine, conf. I
184961.3777 1.4338 -5.5242 3 319.7885381 89502 30363 460 63 361 a-Alanine, conf. I
184967.5597 1.0736 -5.3085 3 443.0428429 89502 30371 962 71 863 a-Alanine, conf. I
184967.5597 1.0736 -5.3085 3 443.0428429 89502 303711062 71 963 a-Alanine, conf. I
184976.4702 0.3311 -5.5324 3 290.5426261 89502 3034340 3 4339 4 a-Alanine, conf. I
184976.4702 0.3311 -5.5324 3 290.5426261 89502 3034340 4 4339 5 a-Alanine, conf. I
184983.5987 0.1150 -5.8362 3 176.9501207 89502 3033431 3 3331 2 a-Alanine, conf. I
184983.5987 0.1150 -5.8362 3 176.9501207 89502 3033431 4 3331 3 a-Alanine, conf. I
184984.2855 0.0977 -5.0006 3 108.7965201 89502 303331222 321221 a-Alanine, conf. I
185009.2507 3.4580 -5.9353 3 994.0658579 89502 303964452 964353 a-Alanine, conf. I
185009.2596 3.4580 -5.9353 3 994.0658579 89502 303964453 964354 a-Alanine, conf. I
185012.6200 5.0727 -5.8155 3 902.4658579 89502 303962571 962472 a-Alanine, conf. I
185012.6219 5.0726 -5.8155 3 902.4658579 89502 303962671 962572 a-Alanine, conf. I
185062.3842 0.3476 -5.6368 3 282.7434255 89502 3034240 2 4239 3 a-Alanine, conf. I
185062.3842 0.3476 -5.6368 3 282.7434255 89502 3034240 3 4239 4 a-Alanine, conf. I
185080.5878 0.1035 -5.7076 3 172.1849207 89502 3033430 4 3330 3 a-Alanine, conf. I
185080.5878 0.1035 -5.7076 3 172.1849207 89502 3033430 5 3330 4 a-Alanine, conf. I
185142.0852 0.3647 -5.7926 3 275.1275249 89502 3034140 1 4139 2 a-Alanine, conf. I
185142.0852 0.3647 -5.7926 3 275.1275249 89502 3034140 2 4139 3 a-Alanine, conf. I
185153.3924 4.3885 -5.9690 3 348.1207351 89502 303582236 581939 a-Alanine, conf. I
185188.6741 0.0934 -5.6074 3 167.5795207 89502 3033429 5 3329 4 a-Alanine, conf. I
185188.6741 0.0934 -5.6074 3 167.5795207 89502 3033429 6 3329 5 a-Alanine, conf. I
185192.6447 1.1976 -5.3496 3 379.5877405 89502 30367 661 67 562 a-Alanine, conf. I
185192.6447 1.1976 -5.3496 3 379.5877405 89502 30367 761 67 662 a-Alanine, conf. I
185215.8760 0.3821 -6.0734 3 267.6949243 89502 3034040 0 4039 1 a-Alanine, conf. I
185215.8760 0.3821 -6.0734 3 267.6949243 89502 3034040 1 4039 2 a-Alanine, conf. I
185234.7918 0.4497 -6.3698 3 153.1982237 89502 303391326 381424 a-Alanine, conf. I
185245.7940 0.7233 -5.2709 3 539.1726405 89502 303674126 674027 a-Alanine, conf. I
185245.7940 0.7233 -5.2709 3 539.1726405 89502 303674127 674028 a-Alanine, conf. I
185248.2756 1.3328 -5.9891 3 456.6260381 89502 303633528 623627 a-Alanine, conf. I
185248.2756 1.3328 -5.9891 3 456.6260381 89502 303633529 623626 a-Alanine, conf. I
185290.4035 0.0525 -5.8770 3 55.2644153 89502 30325 520 24 420 a-Alanine, conf. I
185296.6349 0.0524 -5.8769 3 55.2644153 89502 30325 620 24 520 a-Alanine, conf. I
185309.5208 0.0851 -5.5254 3 163.1343207 89502 3033428 6 3328 5 a-Alanine, conf. I
185309.5208 0.0851 -5.5254 3 163.1343207 89502 3033428 7 3328 6 a-Alanine, conf. I
185337.3341 3.3154 -6.1086 3 262.6792303 89502 303502129 501832 a-Alanine, conf. I
185400.7898 2.6805 -5.5267 3 704.9619519 89502 303861967 861868 a-Alanine, conf. I
185400.7898 2.6805 -5.5267 3 704.9619519 89502 303862067 861968 a-Alanine, conf. I
185404.7445 0.1639 -5.0257 3 112.3240201 89502 303331420 321419 a-Alanine, conf. I
185413.8996 1.4787 -5.4784 3 706.7485477 89502 303794237 794138 a-Alanine, conf. I
185413.8996 1.4787 -5.4784 3 706.7485477 89502 303794238 794139 a-Alanine, conf. I
185431.4409 1.0453 -5.4777 3 253.2781297 89502 303492129 482226 a-Alanine, conf. I
185432.6495 0.0140 -5.6165 3 53.6432117 89502 3031918 1 1817 1 a-Alanine, conf. I
185432.6495 0.0140 -4.4627 3 53.6432117 89502 3031918 1 1817 2 a-Alanine, conf. I
185432.6495 0.0140 -4.4627 3 53.6432117 89502 3031918 2 1817 1 a-Alanine, conf. I
185432.6495 0.0140 -5.6165 3 53.6432117 89502 3031918 2 1817 2 a-Alanine, conf. I
185433.6588 5.9898 -6.3537 3 1233.2836651 89502 303A84662 A84563 a-Alanine, conf. I
185434.7220 5.9871 -6.3537 3 1233.2835651 89502 303A84663 A84564 a-Alanine, conf. I
185445.1331 0.0789 -5.4559 3 158.8499207 89502 3033427 7 3327 6 a-Alanine, conf. I
185445.1331 0.0789 -5.4559 3 158.8499207 89502 3033427 8 3327 7 a-Alanine, conf. I
185448.4863 0.1010 -4.8917 3 123.6311243 89502 30340 139 39 138 a-Alanine, conf. I
185448.4863 0.1010 -4.2735 3 123.6311243 89502 30340 139 39 238 a-Alanine, conf. I
185448.4863 0.1010 -4.2735 3 123.6311243 89502 30340 239 39 138 a-Alanine, conf. I
185448.4863 0.1010 -4.8917 3 123.6311243 89502 30340 239 39 238 a-Alanine, conf. I
185478.3841 2.3451 -5.6987 3 851.7103531 89502 303884345 884246 a-Alanine, conf. I
185478.3842 2.3451 -5.6987 3 851.7103531 89502 303884346 884247 a-Alanine, conf. I
185484.1788 0.0402 -6.1329 3 30.1426117 89502 30319 415 18 316 a-Alanine, conf. I
185495.5569 0.0809 -4.8766 3 63.0346153 89502 303251114 241015 a-Alanine, conf. I
185518.4925 0.0820 -4.9855 3 102.1683195 89502 303321121 311120 a-Alanine, conf. I
185528.3943 4.5501 -6.1347 3 1110.2791615 89502 303A24557 A24458 a-Alanine, conf. I
185528.5028 4.5498 -6.1347 3 1110.2791615 89502 303A24558 A24459 a-Alanine, conf. I
185553.3580 0.1264 -4.7556 3 106.9768201 89502 303331123 321022 a-Alanine, conf. I
185572.3370 0.6739 -5.2591 3 526.9327399 89502 303664125 664026 a-Alanine, conf. I
185572.3370 0.6739 -5.2591 3 526.9327399 89502 303664126 664027 a-Alanine, conf. I
185573.0670 0.0392 -6.1326 3 30.1426117 89502 30319 515 18 216 a-Alanine, conf. I
185583.4102 1.1427 -5.3200 3 491.4425447 89502 303741163 741064 a-Alanine, conf. I
185583.4102 1.1427 -5.3200 3 491.4425447 89502 303741263 741164 a-Alanine, conf. I
185597.9522 0.0752 -5.3958 3 154.7268207 89502 3033426 8 3326 7 a-Alanine, conf. I
185597.9522 0.0752 -5.3958 3 154.7268207 89502 3033426 9 3326 8 a-Alanine, conf. I
185624.6043 1.4641 -5.3986 3 210.0585273 89502 303451827 441926 a-Alanine, conf. I
185628.2941 1.3647 -6.0294 3 473.6968387 89502 303643628 633727 a-Alanine, conf. I
185628.2941 1.3647 -6.0294 3 473.6968387 89502 303643629 633726 a-Alanine, conf. I
185630.6270 3.7351 -5.6599 3 801.0591549 89502 303912269 912170 a-Alanine, conf. I
185630.6271 3.7351 -5.6599 3 801.0591549 89502 303912369 912270 a-Alanine, conf. I
185650.6025 0.1615 -5.7159 3 64.8199159 89502 30326 818 25 718 a-Alanine, conf. I
185697.3303 5.6166 -5.8791 3 943.2428591 89502 303982672 982573 a-Alanine, conf. I
185697.3349 5.6166 -5.8791 3 943.2428591 89502 303982772 982673 a-Alanine, conf. I
185724.4385 0.0619 -4.9273 3 122.0990231 89502 30338 434 37 433 a-Alanine, conf. I
185724.4385 0.0619 -4.3677 3 122.0990231 89502 30338 434 37 533 a-Alanine, conf. I
185724.4385 0.0619 -4.3677 3 122.0990231 89502 30338 534 37 433 a-Alanine, conf. I
185724.4385 0.0619 -4.9273 3 122.0990231 89502 30338 534 37 533 a-Alanine, conf. I
185770.9812 0.0743 -5.3429 3 150.7659207 89502 3033425 9 3325 8 a-Alanine, conf. I
185770.9812 0.0743 -5.3429 3 150.7659207 89502 303342510 3325 9 a-Alanine, conf. I
185795.0320 1.1242 -5.4759 3 253.2775297 89502 303492128 482227 a-Alanine, conf. I
185814.8942 1.4461 -6.3945 3 162.0818237 89502 303391821 391524 a-Alanine, conf. I
185843.9033 1.5456 -5.6617 3 303.8531375 89502 30362 260 62 161 a-Alanine, conf. I
185843.9033 1.5456 -5.6617 3 303.8531375 89502 30362 360 62 261 a-Alanine, conf. I
185866.0356 1.5061 -5.2934 3 163.6456243 89502 303401525 391624 a-Alanine, conf. I
185883.0378 0.6269 -5.2484 3 514.8800393 89502 303654124 654025 a-Alanine, conf. I
185883.0378 0.6269 -5.2484 3 514.8800393 89502 303654125 654026 a-Alanine, conf. I
185883.4274 0.1434 -5.0078 3 110.4988201 89502 303331321 321320 a-Alanine, conf. I
185887.9774 2.1285 -5.4563 3 648.6290501 89502 303831766 831667 a-Alanine, conf. I
185887.9774 2.1285 -5.4563 3 648.6290501 89502 303831866 831767 a-Alanine, conf. I
185933.8627 3.2725 -5.9027 3 976.3706573 89502 303954451 954352 a-Alanine, conf. I
185933.8665 3.2725 -5.9027 3 976.3706573 89502 303954452 954353 a-Alanine, conf. I
185939.9433 1.3954 -5.4570 3 692.2606471 89502 303784236 784137 a-Alanine, conf. I
185939.9433 1.3954 -5.4570 3 692.2606471 89502 303784237 784138 a-Alanine, conf. I
185955.1931 1.3472 -5.3509 3 541.8513465 89502 303771364 771265 a-Alanine, conf. I
185955.1931 1.3472 -5.3509 3 541.8513465 89502 303771464 771365 a-Alanine, conf. I
185967.9614 0.0760 -5.2958 3 146.9681207 89502 303342410 3324 9 a-Alanine, conf. I
185967.9614 0.0760 -5.2958 3 146.9681207 89502 303342411 332410 a-Alanine, conf. I
185982.6525 3.0671 -5.9450 3 373.1937363 89502 303602337 602040 a-Alanine, conf. I
186027.7025 1.3975 -6.0702 3 491.1050393 89502 303653728 643827 a-Alanine, conf. I
186027.7025 1.3975 -6.0702 3 491.1050393 89502 303653729 643826 a-Alanine, conf. I
186064.0605 1.6810 -5.3972 3 594.2526483 89502 303801565 801466 a-Alanine, conf. I
186064.0605 1.6810 -5.3972 3 594.2526483 89502 303801665 801566 a-Alanine, conf. I
186101.1249 0.0641 -4.4931 3 118.6916219 89502 30336 729 35 828 a-Alanine, conf. I
186101.2217 0.0641 -4.9593 3 118.6916219 89502 30336 829 35 828 a-Alanine, conf. I
186101.3669 0.0641 -4.9593 3 118.6916219 89502 30336 729 35 728 a-Alanine, conf. I
186101.4637 0.0641 -4.4931 3 118.6916219 89502 30336 829 35 728 a-Alanine, conf. I
186143.1249 1.1136 -5.3167 3 425.2732423 89502 30370 862 70 763 a-Alanine, conf. I
186143.1249 1.1136 -5.3167 3 425.2732423 89502 30370 962 70 863 a-Alanine, conf. I
186166.7749 0.0103 -5.6279 3 54.5219123 89502 3032017 3 1916 3 a-Alanine, conf. I
186166.7749 0.0103 -4.4954 3 54.5219123 89502 3032017 3 1916 4 a-Alanine, conf. I
186166.7749 0.0103 -4.4954 3 54.5219123 89502 3032017 4 1916 3 a-Alanine, conf. I
186166.7749 0.0103 -5.6279 3 54.5219123 89502 3032017 4 1916 4 a-Alanine, conf. I
186178.5194 0.5823 -5.2387 3 503.0145387 89502 303644123 644024 a-Alanine, conf. I
186178.5194 0.5823 -5.2387 3 503.0145387 89502 303644124 644025 a-Alanine, conf. I
186193.6209 0.0803 -5.2533 3 143.3346207 89502 303342311 332310 a-Alanine, conf. I
186193.6209 0.0803 -5.2533 3 143.3346207 89502 303342312 332311 a-Alanine, conf. I
186194.5872 2.2201 -5.6712 3 835.5276525 89502 303874344 874245 a-Alanine, conf. I
186194.5872 2.2201 -5.6712 3 835.5276525 89502 303874345 874246 a-Alanine, conf. I
186212.6476 1.2939 -5.3880 3 362.7275399 89502 30366 561 66 462 a-Alanine, conf. I
186212.6476 1.2939 -5.3880 3 362.7275399 89502 30366 661 66 562 a-Alanine, conf. I
186254.0829 0.0985 -4.7207 3 113.1662207 89502 303341024 331123 a-Alanine, conf. I
186281.9066 6.2057 -5.9455 3 984.8505603 89502 303A02773 A02674 a-Alanine, conf. I
186281.9174 6.2057 -5.9455 3 984.8505603 89502 303A02873 A02774 a-Alanine, conf. I
186282.7516 3.7920 -6.2029 3 226.3574285 89502 303471730 471433 a-Alanine, conf. I
186285.2875 0.2379 -4.9887 3 103.2214195 89502 303321220 311219 a-Alanine, conf. I
186298.1078 1.0080 -5.4467 3 241.3329291 89502 303482029 472126 a-Alanine, conf. I
186340.1362 1.7908 -5.6739 3 234.1071291 89502 303481732 471829 a-Alanine, conf. I
186363.4539 0.2780 -6.3032 3 159.6355237 89502 303391723 391426 a-Alanine, conf. I
186411.9190 0.2252 -5.0208 3 112.3549201 89502 303331419 321418 a-Alanine, conf. I
186442.5424 1.3160 -5.4363 3 677.9623465 89502 303774235 774136 a-Alanine, conf. I
186442.5424 1.3160 -5.4363 3 677.9623465 89502 303774236 774137 a-Alanine, conf. I
186444.1550 1.4312 -6.1116 3 508.8504399 89502 303663828 653927 a-Alanine, conf. I
186444.1550 1.4312 -6.1116 3 508.8504399 89502 303663829 653926 a-Alanine, conf. I
186454.0394 0.0867 -5.2148 3 139.8668207 89502 303342212 332211 a-Alanine, conf. I
186454.0394 0.0867 -5.2148 3 139.8668207 89502 303342213 332212 a-Alanine, conf. I
186459.3781 0.5402 -5.2302 3 491.3358381 89502 303634122 634023 a-Alanine, conf. I
186459.3781 0.5402 -5.2302 3 491.3358381 89502 303634123 634024 a-Alanine, conf. I
186532.6042 0.0443 -5.9546 3 53.2800153 89502 30325 421 24 321 a-Alanine, conf. I
186532.9472 0.0443 -5.9546 3 53.2800153 89502 30325 521 24 421 a-Alanine, conf. I
186606.4468 4.1669 -5.7158 3 839.7293561 89502 303932370 932271 a-Alanine, conf. I
186606.4469 4.1669 -5.7158 3 839.7293561 89502 303932470 932371 a-Alanine, conf. I
186616.1116 4.3002 -6.0985 3 1091.4536609 89502 303A14556 A14457 a-Alanine, conf. I
186616.1616 4.3001 -6.0985 3 1091.4536609 89502 303A14557 A14458 a-Alanine, conf. I
186630.1621 3.0199 -5.5742 3 741.5000531 89502 303882068 881969 a-Alanine, conf. I
186630.1621 3.0199 -5.5742 3 741.5000531 89502 303882168 882069 a-Alanine, conf. I
186637.0711 0.3534 -6.3457 3 152.3329231 89502 303381722 381425 a-Alanine, conf. I
186640.9829 5.1473 -6.0129 3 323.8620339 89502 303562135 561838 a-Alanine, conf. I
186686.0866 1.6592 -5.9248 3 288.1442369 89502 30361 160 61 061 a-Alanine, conf. I
186686.0866 1.6592 -5.9248 3 288.1442369 89502 30361 260 61 161 a-Alanine, conf. I
186698.9129 0.6560 -5.4130 3 218.5248279 89502 303461829 451926 a-Alanine, conf. I
186713.2826 5.6457 -6.3138 3 1213.3257645 89502 303A74661 A74562 a-Alanine, conf. I
186713.7993 5.6444 -6.3138 3 1213.3257645 89502 303A74662 A74563 a-Alanine, conf. I
186726.1857 0.5005 -5.2229 3 479.8437375 89502 303624121 624022 a-Alanine, conf. I
186726.1857 0.5005 -5.2229 3 479.8437375 89502 303624122 624023 a-Alanine, conf. I
186757.2005 0.0948 -5.1796 3 136.5666207 89502 303342114 332113 a-Alanine, conf. I
186757.2006 0.0948 -5.1796 3 136.5666207 89502 303342113 332112 a-Alanine, conf. I
186761.6197 6.8437 -6.0146 3 1027.2858615 89502 303A22874 A22775 a-Alanine, conf. I
186761.6446 6.8437 -6.0146 3 1027.2858615 89502 303A22974 A22875 a-Alanine, conf. I
186817.4711 3.0985 -5.8708 3 958.8688567 89502 303944450 944351 a-Alanine, conf. I
186817.4728 3.0985 -5.8708 3 958.8688567 89502 303944451 944352 a-Alanine, conf. I
186822.7491 0.7014 -6.3537 3 154.5580237 89502 303391425 381523 a-Alanine, conf. I
186847.6185 0.1363 -4.8730 3 125.7845249 89502 30341 041 40 040 a-Alanine, conf. I
186847.6185 0.1363 -4.2397 3 125.7845249 89502 30341 041 40 140 a-Alanine, conf. I
186847.6185 0.1363 -4.2397 3 125.7845249 89502 30341 141 40 040 a-Alanine, conf. I
186847.6185 0.1363 -4.8730 3 125.7845249 89502 30341 141 40 140 a-Alanine, conf. I
186874.5914 1.1180 -5.3167 3 472.9911441 89502 303731063 73 964 a-Alanine, conf. I
186874.5914 1.1180 -5.3167 3 472.9911441 89502 303731163 731064 a-Alanine, conf. I
186875.6347 1.4657 -6.1535 3 526.9327405 89502 303673928 664027 a-Alanine, conf. I
186875.6347 1.4657 -6.1535 3 526.9327405 89502 303673929 664026 a-Alanine, conf. I
186879.5080 2.1019 -5.6444 3 819.5364519 89502 303864343 864244 a-Alanine, conf. I
186879.5081 2.1019 -5.6444 3 819.5364519 89502 303864344 864245 a-Alanine, conf. I
186880.1999 0.0106 -5.6376 3 55.7565129 89502 3032116 5 2015 5 a-Alanine, conf. I
186880.1999 0.0106 -4.5308 3 55.7565129 89502 3032116 6 2015 5 a-Alanine, conf. I
186880.2000 0.0106 -4.5308 3 55.7565129 89502 3032116 5 2015 6 a-Alanine, conf. I
186880.2000 0.0106 -5.6376 3 55.7565129 89502 3032116 6 2015 6 a-Alanine, conf. I
186922.6880 1.2402 -5.4163 3 663.8534459 89502 303764234 764135 a-Alanine, conf. I
186922.6880 1.2402 -5.4163 3 663.8534459 89502 303764235 764136 a-Alanine, conf. I
186979.4908 0.4634 -5.2168 3 468.5381369 89502 303614120 614021 a-Alanine, conf. I
186979.4908 0.4634 -5.2168 3 468.5381369 89502 303614121 614022 a-Alanine, conf. I
186983.1582 0.9006 -5.4216 3 229.7446285 89502 303471929 462026 a-Alanine, conf. I
187087.8667 0.0662 -4.9817 3 113.1662207 89502 303341124 331123 a-Alanine, conf. I
187105.4482 0.4467 -5.4840 3 216.2503279 89502 303461730 451827 a-Alanine, conf. I
187113.8640 0.1046 -5.1472 3 133.4364207 89502 303342015 332014 a-Alanine, conf. I
187113.8651 0.1046 -5.1472 3 133.4364207 89502 303342014 332013 a-Alanine, conf. I
187131.2145 7.5352 -6.0864 3 1070.5453627 89502 303A42975 A42876 a-Alanine, conf. I
187131.2715 7.5351 -6.0864 3 1070.5453627 89502 303A43075 A42976 a-Alanine, conf. I
187136.9254 0.0683 -4.9091 3 124.8599237 89502 30339 336 38 335 a-Alanine, conf. I
187136.9254 0.0683 -4.3267 3 124.8599237 89502 30339 336 38 435 a-Alanine, conf. I
187136.9254 0.0683 -4.3267 3 124.8599237 89502 30339 436 38 335 a-Alanine, conf. I
187136.9254 0.0683 -4.9091 3 124.8599237 89502 30339 436 38 435 a-Alanine, conf. I
187186.4696 1.3998 -5.4448 3 346.0891393 89502 30365 461 65 362 a-Alanine, conf. I
187186.4696 1.3998 -5.4448 3 346.0891393 89502 30365 561 65 462 a-Alanine, conf. I
187219.8206 0.4291 -5.2121 3 457.4188363 89502 303604119 604020 a-Alanine, conf. I
187219.8206 0.4291 -5.2121 3 457.4188363 89502 303604120 604021 a-Alanine, conf. I
187265.3843 1.1801 -5.3323 3 407.7203417 89502 30369 762 69 663 a-Alanine, conf. I
187265.3843 1.1801 -5.3323 3 407.7203417 89502 30369 862 69 763 a-Alanine, conf. I
187272.8863 2.4132 -5.4981 3 683.8673513 89502 303851867 851768 a-Alanine, conf. I
187272.8863 2.4132 -5.4981 3 683.8673513 89502 303851967 851868 a-Alanine, conf. I
187320.3968 1.5010 -6.1961 3 545.3518411 89502 303684028 674127 a-Alanine, conf. I
187320.3968 1.5010 -6.1961 3 545.3518411 89502 303684029 674126 a-Alanine, conf. I
187320.9309 0.2799 -6.2711 3 167.1005243 89502 303401724 401427 a-Alanine, conf. I
187371.9779 1.2500 -5.3392 3 522.7260459 89502 303761264 761165 a-Alanine, conf. I
187371.9779 1.2500 -5.3392 3 522.7260459 89502 303761364 761265 a-Alanine, conf. I
187379.1359 10.9551 -6.4005 3 1251.7547675 89502 303B23379 B23280 a-Alanine, conf. I
187380.5137 10.9518 -6.4004 3 1251.7547675 89502 303B23479 B23380 a-Alanine, conf. I
187381.3143 1.1678 -5.3972 3 649.9336453 89502 303754233 754134 a-Alanine, conf. I
187381.3143 1.1678 -5.3972 3 649.9336453 89502 303754234 754135 a-Alanine, conf. I
187384.8210 8.2853 -6.1609 3 1114.6256639 89502 303A63076 A62977 a-Alanine, conf. I
187384.9498 8.2851 -6.1609 3 1114.6256639 89502 303A63176 A63077 a-Alanine, conf. I
187445.2669 0.0647 -4.4374 3 122.0958225 89502 30337 631 36 730 a-Alanine, conf. I
187445.2687 0.0647 -4.9424 3 122.0958225 89502 30337 731 36 730 a-Alanine, conf. I
187445.2717 0.0647 -4.9424 3 122.0958225 89502 30337 631 36 630 a-Alanine, conf. I
187445.2735 0.0647 -4.4374 3 122.0958225 89502 30337 731 36 630 a-Alanine, conf. I
187447.6822 0.3976 -5.2088 3 446.4855357 89502 303594118 594019 a-Alanine, conf. I
187447.6822 0.3976 -5.2088 3 446.4855357 89502 303594119 594020 a-Alanine, conf. I
187452.4819 0.7321 -6.2866 3 164.9215243 89502 303401625 401328 a-Alanine, conf. I
187495.2810 4.6348 -5.7745 3 879.2391573 89502 303952471 952372 a-Alanine, conf. I
187495.2813 4.6348 -5.7745 3 879.2391573 89502 303952571 952472 a-Alanine, conf. I
187513.4639 1.2377 -5.4402 3 241.3305291 89502 303482028 472127 a-Alanine, conf. I
187515.8401 9.1003 -6.2381 3 1159.5231651 89502 303A83177 A83078 a-Alanine, conf. I
187516.1273 9.0997 -6.2381 3 1159.5231651 89502 303A83277 A83178 a-Alanine, conf. I
187516.7956 9.9873 -6.3180 3 1205.2341663 89502 303B03278 B03179 a-Alanine, conf. I
187517.4284 9.9858 -6.3180 3 1205.2341663 89502 303B03378 B03279 a-Alanine, conf. I
187527.9675 0.0872 -5.6773 3 66.3176159 89502 303261017 25 917 a-Alanine, conf. I
187534.6248 1.9898 -5.6183 3 803.7364513 89502 303854342 854243 a-Alanine, conf. I
187534.6248 1.9898 -5.6183 3 803.7364513 89502 303854343 854244 a-Alanine, conf. I
187539.0172 0.1159 -5.1172 3 130.4792207 89502 303341916 331915 a-Alanine, conf. I
187539.0374 0.1159 -5.1172 3 130.4792207 89502 303341915 331914 a-Alanine, conf. I
187547.8401 0.0129 -4.5704 3 57.3551135 89502 3032215 8 2114 7 a-Alanine, conf. I
187547.8409 0.0129 -5.6454 3 57.3551135 89502 3032215 7 2114 7 a-Alanine, conf. I
187547.8455 0.0129 -5.6454 3 57.3551135 89502 3032215 8 2114 8 a-Alanine, conf. I
187547.8463 0.0129 -4.5704 3 57.3551135 89502 3032215 7 2114 8 a-Alanine, conf. I
187557.8139 0.0479 -6.0611 3 51.1572153 89502 30325 322 24 222 a-Alanine, conf. I
187557.8272 0.0479 -6.0611 3 51.1572153 89502 30325 422 24 322 a-Alanine, conf. I
187592.8440 1.9111 -5.4325 3 628.1816495 89502 303821666 821567 a-Alanine, conf. I
187592.8440 1.9111 -5.4325 3 628.1816495 89502 303821766 821667 a-Alanine, conf. I
187618.0517 1.5188 -5.3789 3 574.4618477 89502 303791465 791366 a-Alanine, conf. I
187618.0517 1.5188 -5.3789 3 574.4618477 89502 303791565 791466 a-Alanine, conf. I
187654.5818 4.0677 -6.0630 3 1072.8228603 89502 303A04555 A04456 a-Alanine, conf. I
187654.6044 4.0676 -6.0630 3 1072.8228603 89502 303A04556 A04457 a-Alanine, conf. I
187662.2977 2.9351 -5.8397 3 941.5600561 89502 303934449 934350 a-Alanine, conf. I
187662.2984 2.9351 -5.8397 3 941.5600561 89502 303934450 934351 a-Alanine, conf. I
187663.5639 0.3692 -5.2070 3 435.7380351 89502 303584117 584018 a-Alanine, conf. I
187663.5639 0.3692 -5.2070 3 435.7380351 89502 303584118 584019 a-Alanine, conf. I
187776.9235 1.5373 -6.2392 3 564.1074417 89502 303694128 684227 a-Alanine, conf. I
187776.9235 1.5373 -6.2392 3 564.1074417 89502 303694129 684226 a-Alanine, conf. I
187782.1485 3.3899 -5.6248 3 778.8858543 89502 303902169 902070 a-Alanine, conf. I
187782.1485 3.3899 -5.6248 3 778.8858543 89502 303902269 902170 a-Alanine, conf. I
187819.3043 1.0987 -5.3788 3 636.2025447 89502 303744232 744133 a-Alanine, conf. I
187819.3043 1.0987 -5.3788 3 636.2025447 89502 303744233 744134 a-Alanine, conf. I
187867.9364 0.3442 -5.2070 3 425.1763345 89502 303574116 574017 a-Alanine, conf. I
187867.9364 0.3442 -5.2070 3 425.1763345 89502 303574117 574018 a-Alanine, conf. I
187877.3752 0.0643 -4.9775 3 113.1120207 89502 303341024 331023 a-Alanine, conf. I
187905.5433 0.4183 -6.3969 3 145.1997225 89502 303371721 371424 a-Alanine, conf. I
187913.6550 0.0214 -4.7596 3 64.5246153 89502 303251214 241113 a-Alanine, conf. I
187932.5770 5.3286 -6.2747 3 1193.5641639 89502 303A64660 A64561 a-Alanine, conf. I
187932.8245 5.3280 -6.2747 3 1193.5641639 89502 303A64661 A64562 a-Alanine, conf. I
188024.0777 0.0296 -5.8887 3 38.6145123 89502 30320 912 19 613 a-Alanine, conf. I
188024.6458 0.1033 -5.7071 3 64.8513159 89502 30326 918 25 818 a-Alanine, conf. I
188054.3836 0.1289 -5.0892 3 127.6995207 89502 303341817 331816 a-Alanine, conf. I
188054.6956 0.1289 -5.0892 3 127.6995207 89502 303341816 331815 a-Alanine, conf. I
188061.2538 0.3229 -5.2088 3 414.8000339 89502 303564115 564016 a-Alanine, conf. I
188061.2538 0.3229 -5.2088 3 414.8000339 89502 303564116 564017 a-Alanine, conf. I
188074.0524 1.0269 -5.5592 3 225.0516285 89502 303471731 461828 a-Alanine, conf. I
188101.8188 0.0202 -5.6575 3 64.5246153 89502 303251213 241113 a-Alanine, conf. I
188107.1454 1.1306 -5.3184 3 454.7527435 89502 30372 963 72 864 a-Alanine, conf. I
188107.1454 1.1306 -5.3184 3 454.7527435 89502 303721063 72 964 a-Alanine, conf. I
188116.3918 1.5117 -5.5302 3 329.6741387 89502 30364 361 64 262 a-Alanine, conf. I
188116.3918 1.5117 -5.5302 3 329.6741387 89502 30364 461 64 362 a-Alanine, conf. I
188119.6786 0.0157 -4.6170 3 59.3302141 89502 303231410 2213 9 a-Alanine, conf. I
188119.7702 0.0157 -5.6511 3 59.3302141 89502 3032314 9 2213 9 a-Alanine, conf. I
188120.2007 0.0157 -5.6511 3 59.3302141 89502 303231410 221310 a-Alanine, conf. I
188120.2923 0.0157 -4.6170 3 59.3302141 89502 3032314 9 221310 a-Alanine, conf. I
188131.3624 0.0656 -4.6055 3 117.3298213 89502 30335 926 341025 a-Alanine, conf. I
188161.3118 1.8834 -5.5929 3 788.1272507 89502 303844341 844242 a-Alanine, conf. I
188161.3118 1.8834 -5.5929 3 788.1272507 89502 303844342 844243 a-Alanine, conf. I
188175.5885 0.0654 -4.9686 3 117.3298213 89502 303351026 341025 a-Alanine, conf. I
188228.1406 0.0654 -4.9683 3 117.3265213 89502 30335 926 34 925 a-Alanine, conf. I
188237.4938 1.0325 -5.3613 3 622.6601441 89502 303734231 734132 a-Alanine, conf. I
188237.4938 1.0325 -5.3613 3 622.6601441 89502 303734232 734133 a-Alanine, conf. I
188243.8875 1.5744 -6.2829 3 583.1995423 89502 303704228 694327 a-Alanine, conf. I
188243.8875 1.5744 -6.2829 3 583.1995423 89502 303704229 694326 a-Alanine, conf. I
188243.9547 0.3056 -5.2126 3 404.6091333 89502 303554114 554015 a-Alanine, conf. I
188243.9547 0.3056 -5.2126 3 404.6091333 89502 303554115 554016 a-Alanine, conf. I
188267.2708 0.0243 -5.6279 3 73.0143165 89502 303271116 261016 a-Alanine, conf. I
188272.3667 0.0655 -4.6048 3 117.3265213 89502 303351026 34 925 a-Alanine, conf. I
188293.7452 5.1412 -5.8362 3 919.5857585 89502 303972572 972473 a-Alanine, conf. I
188293.7461 5.1412 -5.8362 3 919.5857585 89502 303972672 972573 a-Alanine, conf. I
188337.1700 1.2665 -5.3575 3 390.3857411 89502 30368 662 68 563 a-Alanine, conf. I
188337.1700 1.2665 -5.3575 3 390.3857411 89502 30368 762 68 663 a-Alanine, conf. I
188354.5205 3.5574 -6.0008 3 339.3943345 89502 303572334 572037 a-Alanine, conf. I
188416.4629 0.2925 -5.2186 3 394.6033327 89502 303544113 544014 a-Alanine, conf. I
188416.4629 0.2925 -5.2186 3 394.6033327 89502 303544114 544015 a-Alanine, conf. I
188426.7145 0.0609 -6.2195 3 48.9022153 89502 30325 223 24 123 a-Alanine, conf. I
188426.7148 0.0609 -6.2195 3 48.9022153 89502 30325 323 24 223 a-Alanine, conf. I
188470.3761 2.7812 -5.8092 3 924.4438555 89502 303924448 924349 a-Alanine, conf. I
188470.3764 2.7812 -5.8092 3 924.4438555 89502 303924449 924350 a-Alanine, conf. I
188472.3385 0.0186 -4.6754 3 61.7032147 89502 303241312 231211 a-Alanine, conf. I
188477.9429 0.0187 -5.6547 3 61.7032147 89502 303241311 231211 a-Alanine, conf. I
188498.9148 0.0189 -5.6546 3 61.7023147 89502 303241312 231212 a-Alanine, conf. I
188504.5192 0.0190 -4.6752 3 61.7023147 89502 303241311 231212 a-Alanine, conf. I
188548.7291 0.0836 -4.8910 3 127.4318243 89502 30340 238 39 237 a-Alanine, conf. I
188548.7291 0.0836 -4.2891 3 127.4318243 89502 30340 238 39 337 a-Alanine, conf. I
188548.7291 0.0836 -4.2891 3 127.4318243 89502 30340 338 39 237 a-Alanine, conf. I
188548.7291 0.0836 -4.8910 3 127.4318243 89502 30340 338 39 337 a-Alanine, conf. I
188579.1884 0.2837 -5.2273 3 384.7825321 89502 303534112 534013 a-Alanine, conf. I
188579.1884 0.2837 -5.2273 3 384.7825321 89502 303534113 534014 a-Alanine, conf. I
188585.7464 2.7265 -5.5432 3 719.9583525 89502 303871968 871869 a-Alanine, conf. I
188585.7464 2.7265 -5.5432 3 719.9583525 89502 303872068 871969 a-Alanine, conf. I
188621.0484 0.0243 -5.6556 3 64.5010153 89502 303251214 241114 a-Alanine, conf. I
188636.6753 0.9693 -5.3447 3 609.3059435 89502 303724230 724131 a-Alanine, conf. I
188636.6753 0.9693 -5.3447 3 609.3059435 89502 303724231 724132 a-Alanine, conf. I
188646.7608 3.8507 -6.0282 3 1054.3863597 89502 303994554 994455 a-Alanine, conf. I
188646.7709 3.8507 -6.0282 3 1054.3863597 89502 303994555 994456 a-Alanine, conf. I
188678.3641 0.2238 -5.6633 3 71.0126165 89502 30327 918 26 818 a-Alanine, conf. I
188692.3169 0.1441 -5.0630 3 125.1033207 89502 303341718 331717 a-Alanine, conf. I
188696.2859 0.1444 -5.0630 3 125.1033207 89502 303341717 331716 a-Alanine, conf. I
188711.1590 0.0922 -4.7073 3 113.1120207 89502 303341124 331023 a-Alanine, conf. I
188720.1223 1.6124 -6.3273 3 602.6279429 89502 303714328 704427 a-Alanine, conf. I
188720.1223 1.6124 -6.3273 3 602.6279429 89502 303714329 704426 a-Alanine, conf. I
188723.9759 1.1912 -5.3312 3 503.8097453 89502 303751164 751065 a-Alanine, conf. I
188723.9759 1.1912 -5.3312 3 503.8097453 89502 303751264 751165 a-Alanine, conf. I
188732.5279 0.2793 -5.2388 3 375.1465315 89502 303524111 524012 a-Alanine, conf. I
188732.5279 0.2793 -5.2388 3 375.1465315 89502 303524112 524013 a-Alanine, conf. I
188760.8504 1.7822 -5.5683 3 772.7085501 89502 303834340 834241 a-Alanine, conf. I
188760.8504 1.7822 -5.5683 3 772.7085501 89502 303834341 834242 a-Alanine, conf. I
188809.2123 0.0289 -4.7567 3 64.5010153 89502 303251213 241114 a-Alanine, conf. I
188831.0904 0.0649 -4.9251 3 125.2938231 89502 30338 533 37 532 a-Alanine, conf. I
188831.0904 0.0649 -4.3888 3 125.2938231 89502 30338 533 37 632 a-Alanine, conf. I
188831.0904 0.0649 -4.9251 3 125.2938231 89502 30338 633 37 632 a-Alanine, conf. I
188831.0905 0.0649 -4.3888 3 125.2938231 89502 30338 633 37 532 a-Alanine, conf. I
188854.2113 3.7919 -5.6786 3 817.1168555 89502 303922270 922171 a-Alanine, conf. I
188854.2113 3.7919 -5.6786 3 817.1168555 89502 303922370 922271 a-Alanine, conf. I
188876.8658 0.2791 -5.2536 3 365.6951309 89502 303514110 514011 a-Alanine, conf. I
188876.8658 0.2791 -5.2536 3 365.6951309 89502 303514111 514012 a-Alanine, conf. I
188998.1358 5.6892 -5.9006 3 960.7661597 89502 303992673 992574 a-Alanine, conf. I
188998.1379 5.6892 -5.9006 3 960.7661597 89502 303992773 992674 a-Alanine, conf. I
189004.5247 1.6272 -5.6673 3 313.4840381 89502 30363 261 63 162 a-Alanine, conf. I
189004.5247 1.6272 -5.6673 3 313.4840381 89502 30363 361 63 262 a-Alanine, conf. I
189012.5746 0.2828 -5.2723 3 356.4282303 89502 3035041 9 504010 a-Alanine, conf. I
189012.5746 0.2828 -5.2723 3 356.4282303 89502 303504110 504011 a-Alanine, conf. I
189017.6018 0.9088 -5.3288 3 596.1398429 89502 303714229 714130 a-Alanine, conf. I
189017.6018 0.9088 -5.3288 3 596.1398429 89502 303714230 714131 a-Alanine, conf. I
189054.0451 2.1697 -5.4716 3 662.9679507 89502 303841767 841668 a-Alanine, conf. I
189054.0451 2.1697 -5.4716 3 662.9679507 89502 303841867 841768 a-Alanine, conf. I
189095.6681 5.0354 -6.2363 3 1173.9980633 89502 303A54659 A54560 a-Alanine, conf. I
189095.7849 5.0351 -6.2363 3 1173.9980633 89502 303A54660 A54561 a-Alanine, conf. I
189100.0370 1.3891 -5.3635 3 554.8757471 89502 303781365 781266 a-Alanine, conf. I
189100.0370 1.3891 -5.3635 3 554.8757471 89502 303781465 781366 a-Alanine, conf. I
189126.7490 0.2307 -5.0867 3 61.6762153 89502 303251015 24 916 a-Alanine, conf. I
189140.0154 0.2899 -5.2957 3 347.3457297 89502 3034941 8 4940 9 a-Alanine, conf. I
189140.0154 0.2899 -5.2957 3 347.3457297 89502 3034941 9 494010 a-Alanine, conf. I
189204.5985 1.6513 -6.3722 3 622.3924435 89502 303724428 714527 a-Alanine, conf. I
189204.5985 1.6513 -6.3722 3 622.3924435 89502 303724429 714526 a-Alanine, conf. I
189217.1260 1.7205 -5.4112 3 607.9342489 89502 303811566 811467 a-Alanine, conf. I
189217.1260 1.7205 -5.4112 3 607.9342489 89502 303811666 811567 a-Alanine, conf. I
189243.5744 2.6361 -5.7794 3 907.5198549 89502 303914447 914348 a-Alanine, conf. I
189243.5746 2.6361 -5.7794 3 907.5198549 89502 303914448 914349 a-Alanine, conf. I
189259.5388 0.2998 -5.3247 3 338.4473291 89502 3034841 7 4840 8 a-Alanine, conf. I
189259.5388 0.2998 -5.3247 3 338.4473291 89502 3034841 8 4840 9 a-Alanine, conf. I
189279.8352 1.7018 -5.3192 3 181.0490255 89502 303421626 411725 a-Alanine, conf. I
189284.3467 1.1759 -5.3261 3 436.7290429 89502 30371 863 71 764 a-Alanine, conf. I
189284.3467 1.1759 -5.3261 3 436.7290429 89502 30371 963 71 864 a-Alanine, conf. I
189310.8654 0.9324 -6.3548 3 155.2998237 89502 303391525 391228 a-Alanine, conf. I
189319.8362 0.0674 -4.5277 3 121.2332219 89502 30336 828 35 927 a-Alanine, conf. I
189321.3875 0.0674 -4.9543 3 121.2332219 89502 30336 928 35 927 a-Alanine, conf. I
189323.5147 0.0675 -4.9543 3 121.2331219 89502 30336 828 35 827 a-Alanine, conf. I
189325.0660 0.0675 -4.5276 3 121.2331219 89502 30336 928 35 827 a-Alanine, conf. I
189334.4384 1.6859 -5.5444 3 757.4801495 89502 303824339 824240 a-Alanine, conf. I
189334.4384 1.6859 -5.5444 3 757.4801495 89502 303824340 824241 a-Alanine, conf. I
189361.0779 1.3669 -5.3955 3 373.2712405 89502 30367 562 67 463 a-Alanine, conf. I
189361.0779 1.3669 -5.3955 3 373.2712405 89502 30367 662 67 563 a-Alanine, conf. I
189371.4848 0.3121 -5.3609 3 329.7329285 89502 3034741 6 4740 7 a-Alanine, conf. I
189371.4848 0.3121 -5.3609 3 329.7329285 89502 3034741 7 4740 8 a-Alanine, conf. I
189380.9895 0.8510 -5.3139 3 583.1616423 89502 303704228 704129 a-Alanine, conf. I
189380.9895 0.8510 -5.3139 3 583.1616423 89502 303704229 704130 a-Alanine, conf. I
189392.1756 0.1034 -5.7450 3 63.2286159 89502 30326 719 25 619 a-Alanine, conf. I
189476.1839 0.3263 -5.4063 3 321.2024279 89502 3034641 5 4640 6 a-Alanine, conf. I
189476.1839 0.3263 -5.4063 3 321.2024279 89502 3034641 6 4640 7 a-Alanine, conf. I
189495.8014 0.1616 -5.0380 3 122.6991207 89502 303341619 331618 a-Alanine, conf. I
189536.6577 0.1652 -5.0378 3 122.7000207 89502 303341618 331617 a-Alanine, conf. I
189564.5334 0.0527 -5.6522 3 67.7120159 89502 303261116 251016 a-Alanine, conf. I
189573.9568 0.3419 -5.4641 3 312.8557273 89502 3034541 4 4540 5 a-Alanine, conf. I
189573.9568 0.3419 -5.4641 3 312.8557273 89502 3034541 5 4540 6 a-Alanine, conf. I
189595.3194 3.6478 -5.9941 3 1036.1434591 89502 303984553 984454 a-Alanine, conf. I
189595.3239 3.6478 -5.9941 3 1036.1434591 89502 303984554 984455 a-Alanine, conf. I
189604.3861 6.2818 -5.9678 3 1002.7773609 89502 303A12774 A12675 a-Alanine, conf. I
189604.3911 6.2818 -5.9678 3 1002.7773609 89502 303A12874 A12775 a-Alanine, conf. I
189635.8720 1.3036 -5.9458 3 399.0704375 89502 303622438 622141 a-Alanine, conf. I
189643.5516 2.7474 -6.2188 3 223.4188279 89502 303462026 461729 a-Alanine, conf. I
189665.1153 0.3586 -5.5400 3 304.6925267 89502 3034441 3 4440 4 a-Alanine, conf. I
189665.1153 0.3586 -5.5400 3 304.6925267 89502 3034441 4 4440 5 a-Alanine, conf. I
189665.7439 0.0584 -4.9689 3 108.3565201 89502 303331122 321121 a-Alanine, conf. I
189683.0592 0.4353 -6.2503 3 174.7219249 89502 303411725 411428 a-Alanine, conf. I
189696.8603 0.2753 -5.2995 3 55.8917147 89502 30324 915 23 816 a-Alanine, conf. I
189727.5213 0.7958 -5.2999 3 570.3710417 89502 303694227 694128 a-Alanine, conf. I
189727.5213 0.7958 -5.2999 3 570.3710417 89502 303694228 694129 a-Alanine, conf. I
189749.9625 0.3760 -5.6441 3 296.7128261 89502 3034341 2 4340 3 a-Alanine, conf. I
189749.9625 0.3760 -5.6441 3 296.7128261 89502 3034341 3 4340 4 a-Alanine, conf. I
189753.5550 0.0926 -5.7435 3 63.2319159 89502 30326 819 25 719 a-Alanine, conf. I
189778.2004 1.8535 -5.9573 3 387.2451369 89502 303612437 612140 a-Alanine, conf. I
189810.4024 5.3905 -6.0695 3 300.4273327 89502 303542034 541737 a-Alanine, conf. I
189824.4418 3.0695 -5.5916 3 756.8996537 89502 303892069 891970 a-Alanine, conf. I
189824.4418 3.0695 -5.5916 3 756.8996537 89502 303892169 892070 a-Alanine, conf. I
189828.7930 0.3940 -5.7995 3 288.9164255 89502 3034241 1 4240 2 a-Alanine, conf. I
189828.7930 0.3940 -5.7995 3 288.9164255 89502 3034241 2 4240 3 a-Alanine, conf. I
189843.6015 4.2280 -5.7353 3 856.1901567 89502 303942371 942272 a-Alanine, conf. I
189843.6016 4.2280 -5.7353 3 856.1901567 89502 303942471 942372 a-Alanine, conf. I
189852.8272 1.7444 -5.9299 3 297.5203375 89502 30362 161 62 062 a-Alanine, conf. I
189852.8272 1.7444 -5.9299 3 297.5203375 89502 30362 261 62 162 a-Alanine, conf. I
189883.1976 1.5941 -5.5212 3 742.4416489 89502 303814338 814239 a-Alanine, conf. I
189883.1976 1.5941 -5.5212 3 742.4416489 89502 303814339 814240 a-Alanine, conf. I
189901.8929 0.4123 -6.0802 3 281.3032249 89502 3034141 0 4140 1 a-Alanine, conf. I
189901.8929 0.4123 -6.0802 3 281.3032249 89502 3034141 1 4140 2 a-Alanine, conf. I
189913.9880 1.2434 -5.6916 3 356.9164345 89502 303572830 562927 a-Alanine, conf. I
189914.0303 1.2435 -5.6916 3 356.9164345 89502 303572829 562928 a-Alanine, conf. I
189930.7788 1.2230 -5.6550 3 342.3834339 89502 303562730 552827 a-Alanine, conf. I
189930.9756 1.2231 -5.6550 3 342.3834339 89502 303562729 552828 a-Alanine, conf. I
189952.7777 0.3027 -4.9856 3 110.6817201 89502 303331320 321319 a-Alanine, conf. I
189954.3421 0.1097 -4.8729 3 129.8170249 89502 30341 140 40 139 a-Alanine, conf. I
189954.3421 0.1097 -4.2541 3 129.8170249 89502 30341 140 40 239 a-Alanine, conf. I
189954.3421 0.1097 -4.2541 3 129.8170249 89502 30341 240 40 139 a-Alanine, conf. I
189954.3421 0.1097 -4.8729 3 129.8170249 89502 30341 240 40 239 a-Alanine, conf. I
189955.0065 0.0909 -4.9757 3 114.9669207 89502 303341223 331222 a-Alanine, conf. I
189973.1654 1.2664 -5.7287 3 371.7904351 89502 303582930 573027 a-Alanine, conf. I
189973.1742 1.2664 -5.7287 3 371.7904351 89502 303582929 573028 a-Alanine, conf. I
189983.6146 2.4989 -5.7503 3 890.7876543 89502 303904446 904347 a-Alanine, conf. I
189983.6147 2.4989 -5.7503 3 890.7876543 89502 303904447 904348 a-Alanine, conf. I
189983.9578 3.2895 -6.2727 3 206.6999273 89502 303451629 451332 a-Alanine, conf. I
190015.0153 1.1721 -5.3275 3 485.1043447 89502 303741064 74 965 a-Alanine, conf. I
190015.0153 1.1721 -5.3275 3 485.1043447 89502 303741164 741065 a-Alanine, conf. I
190039.9449 1.2058 -5.6188 3 328.1921333 89502 303552630 542727 a-Alanine, conf. I
190040.8254 1.2061 -5.6188 3 328.1921333 89502 303552629 542728 a-Alanine, conf. I
190057.8487 0.7431 -5.2869 3 557.7678411 89502 303684226 684127 a-Alanine, conf. I
190057.8487 0.7431 -5.2869 3 557.7678411 89502 303684227 684128 a-Alanine, conf. I
190095.5585 1.2915 -5.7663 3 387.0047357 89502 303593030 583127 a-Alanine, conf. I
190095.5603 1.2915 -5.7663 3 387.0047357 89502 303593029 583128 a-Alanine, conf. I
190100.2134 0.0659 -5.9173 3 34.8730123 89502 30320 515 19 416 a-Alanine, conf. I
190108.0140 6.9230 -6.0377 3 1045.6161621 89502 303A32875 A32776 a-Alanine, conf. I
190108.0259 6.9230 -6.0377 3 1045.6161621 89502 303A32975 A32876 a-Alanine, conf. I
190125.1339 0.0190 -5.5814 3 56.3799117 89502 3031919 0 1818 0 a-Alanine, conf. I
190125.1339 0.0190 -4.4182 3 56.3799117 89502 3031919 0 1818 1 a-Alanine, conf. I
190125.1339 0.0190 -4.4182 3 56.3799117 89502 3031919 1 1818 0 a-Alanine, conf. I
190125.1339 0.0190 -5.5814 3 56.3799117 89502 3031919 1 1818 1 a-Alanine, conf. I
190206.2076 4.7632 -6.1987 3 1154.6270627 89502 303A44658 A44559 a-Alanine, conf. I
190206.2619 4.7631 -6.1987 3 1154.6270627 89502 303A44659 A44560 a-Alanine, conf. I
190235.9956 0.0668 -4.9076 3 128.2941237 89502 30339 435 38 434 a-Alanine, conf. I
190235.9956 0.0668 -4.3454 3 128.2941237 89502 30339 435 38 534 a-Alanine, conf. I
190235.9956 0.0668 -4.3454 3 128.2941237 89502 30339 535 38 434 a-Alanine, conf. I
190235.9956 0.0668 -4.9076 3 128.2941237 89502 30339 535 38 534 a-Alanine, conf. I
190239.6413 0.1547 -6.3204 3 198.3632213 89502 3033534 1 3434 0 a-Alanine, conf. I
190239.6413 0.1547 -6.3204 3 198.3632213 89502 3033534 2 3434 1 a-Alanine, conf. I
190262.7319 1.1923 -5.5830 3 314.3436327 89502 303542530 532627 a-Alanine, conf. I
190266.5102 1.1936 -5.5830 3 314.3436327 89502 303542529 532628 a-Alanine, conf. I
190271.1173 1.3183 -5.8043 3 402.5586363 89502 303603130 593227 a-Alanine, conf. I
190271.1177 1.3183 -5.8043 3 402.5586363 89502 303603129 593228 a-Alanine, conf. I
190306.9552 0.9767 -5.0797 3 138.2437225 89502 303371324 361423 a-Alanine, conf. I
190317.6580 0.1401 -6.0144 3 193.1232213 89502 3033533 2 3433 1 a-Alanine, conf. I
190317.6580 0.1401 -6.0144 3 193.1232213 89502 3033533 3 3433 2 a-Alanine, conf. I
190339.4964 1.4766 -5.4519 3 356.3784399 89502 30366 462 66 363 a-Alanine, conf. I
190339.4964 1.4766 -5.4519 3 356.3784399 89502 30366 562 66 463 a-Alanine, conf. I
190372.5944 0.6929 -5.2748 3 545.3518405 89502 303674225 674126 a-Alanine, conf. I
190372.5944 0.6929 -5.2748 3 545.3518405 89502 303674226 674127 a-Alanine, conf. I
190403.9066 0.1266 -5.8338 3 188.0422213 89502 3033532 3 3432 2 a-Alanine, conf. I
190403.9066 0.1266 -5.8338 3 188.0422213 89502 3033532 4 3432 3 a-Alanine, conf. I
190408.1816 1.5066 -5.4987 3 727.5928483 89502 303804337 804238 a-Alanine, conf. I
190408.1816 1.5066 -5.4987 3 727.5928483 89502 303804338 804239 a-Alanine, conf. I
190409.1777 1.2472 -5.3413 3 418.9219423 89502 30370 763 70 664 a-Alanine, conf. I
190409.1777 1.2472 -5.3413 3 418.9219423 89502 30370 863 70 764 a-Alanine, conf. I
190445.8724 2.4569 -5.5143 3 698.6093519 89502 303861868 861769 a-Alanine, conf. I
190445.8724 2.4569 -5.5143 3 698.6093519 89502 303861968 861869 a-Alanine, conf. I
190472.8513 0.1780 -5.0142 3 120.4986207 89502 303341520 331519 a-Alanine, conf. I
190491.8035 1.3467 -5.8429 3 418.4518369 89502 303613230 603327 a-Alanine, conf. I
190491.8036 1.3467 -5.8429 3 418.4518369 89502 303613229 603328 a-Alanine, conf. I
190499.4784 0.1142 -5.7047 3 183.1205213 89502 3033531 4 3431 3 a-Alanine, conf. I
190499.4784 0.1142 -5.7047 3 183.1205213 89502 3033531 5 3431 4 a-Alanine, conf. I
190502.6829 3.4575 -5.9608 3 1018.0938585 89502 303974552 974453 a-Alanine, conf. I
190502.6848 3.4575 -5.9608 3 1018.0938585 89502 303974553 974454 a-Alanine, conf. I
190504.0592 7.6169 -6.1103 3 1089.2792633 89502 303A52976 A52877 a-Alanine, conf. I
190504.0868 7.6169 -6.1103 3 1089.2792633 89502 303A53076 A52977 a-Alanine, conf. I
190514.5455 1.2959 -5.3514 3 535.4964465 89502 303771265 771166 a-Alanine, conf. I
190514.5455 1.2959 -5.3514 3 535.4964465 89502 303771365 771266 a-Alanine, conf. I
190566.1806 0.0596 -5.9159 3 34.8728123 89502 30320 615 19 316 a-Alanine, conf. I
190600.7357 0.0688 -4.4654 3 124.8993225 89502 30337 730 36 829 a-Alanine, conf. I
190600.7740 0.0688 -4.9387 3 124.8993225 89502 30337 830 36 829 a-Alanine, conf. I
190600.8325 0.0688 -4.9387 3 124.8993225 89502 30337 730 36 729 a-Alanine, conf. I
190600.8708 0.0688 -4.4654 3 124.8993225 89502 30337 830 36 729 a-Alanine, conf. I
190605.6608 0.1033 -5.6040 3 178.3586213 89502 3033530 5 3430 4 a-Alanine, conf. I
190605.6608 0.1033 -5.6040 3 178.3586213 89502 3033530 6 3430 5 a-Alanine, conf. I
190626.1245 1.1832 -5.5476 3 300.8389321 89502 303532430 522527 a-Alanine, conf. I
190639.8123 0.0771 -5.6604 3 41.2140129 89502 30321 814 20 515 a-Alanine, conf. I
190641.6098 1.1880 -5.5475 3 300.8389321 89502 303532429 522528 a-Alanine, conf. I
190672.3543 0.6452 -5.2638 3 533.1227399 89502 303664224 664125 a-Alanine, conf. I
190672.3543 0.6452 -5.2638 3 533.1227399 89502 303664225 664126 a-Alanine, conf. I
190679.8264 1.4907 -5.4007 3 229.7359285 89502 303471928 462027 a-Alanine, conf. I
190692.0889 2.3691 -5.7220 3 874.2469537 89502 303894445 894346 a-Alanine, conf. I
190692.0889 2.3691 -5.7220 3 874.2469537 89502 303894446 894347 a-Alanine, conf. I
190723.9847 0.0942 -5.5215 3 173.7567213 89502 3033529 6 3429 5 a-Alanine, conf. I
190723.9847 0.0942 -5.5215 3 173.7567213 89502 3033529 7 3429 6 a-Alanine, conf. I
190747.3346 4.7002 -5.7949 3 896.1032579 89502 303962472 962373 a-Alanine, conf. I
190747.3347 4.7002 -5.7949 3 896.1032579 89502 303962572 962473 a-Alanine, conf. I
190750.8798 1.9516 -5.4474 3 642.2662501 89502 303831667 831568 a-Alanine, conf. I
190750.8798 1.9516 -5.4474 3 642.2662501 89502 303831767 831668 a-Alanine, conf. I
190751.0996 1.3764 -5.8820 3 434.6838375 89502 303623329 613428 a-Alanine, conf. I
190751.0996 1.3764 -5.8820 3 434.6838375 89502 303623330 613427 a-Alanine, conf. I
190766.2549 1.5598 -5.3925 3 587.8893483 89502 303801466 801367 a-Alanine, conf. I
190766.2549 1.5598 -5.3925 3 587.8893483 89502 303801566 801467 a-Alanine, conf. I
190787.0046 8.3685 -6.1855 3 1133.7631645 89502 303A73077 A72978 a-Alanine, conf. I
190787.0679 8.3684 -6.1855 3 1133.7631645 89502 303A73177 A73078 a-Alanine, conf. I
190800.5181 0.2026 -5.0127 3 120.5074207 89502 303341519 331518 a-Alanine, conf. I
190856.2832 0.0873 -5.4515 3 169.3156213 89502 3033528 7 3428 6 a-Alanine, conf. I
190856.2832 0.0873 -5.4515 3 169.3156213 89502 3033528 8 3428 7 a-Alanine, conf. I
190864.1583 0.0127 -5.5935 3 57.0951123 89502 3032018 2 1917 2 a-Alanine, conf. I
190864.1583 0.0127 -4.4491 3 57.0951123 89502 3032018 2 1917 3 a-Alanine, conf. I
190864.1583 0.0127 -4.4491 3 57.0951123 89502 3032018 3 1917 2 a-Alanine, conf. I
190864.1583 0.0127 -5.5935 3 57.0951123 89502 3032018 3 1917 3 a-Alanine, conf. I
190910.3817 1.4230 -5.4770 3 712.9333477 89502 303794336 794237 a-Alanine, conf. I
190910.3817 1.4230 -5.4770 3 712.9333477 89502 303794337 794238 a-Alanine, conf. I
190950.6804 9.1836 -6.2635 3 1179.0643657 89502 303A93178 A93079 a-Alanine, conf. I
190950.8235 9.1832 -6.2635 3 1179.0643657 89502 303A93278 A93179 a-Alanine, conf. I
190957.6996 0.5999 -5.2538 3 521.0804393 89502 303654223 654124 a-Alanine, conf. I
190957.6996 0.5999 -5.2538 3 521.0804393 89502 303654224 654125 a-Alanine, conf. I
190986.6935 3.4433 -5.6432 3 794.6885549 89502 303912170 912071 a-Alanine, conf. I
190986.6936 3.4433 -5.6432 3 794.6885549 89502 303912270 912171 a-Alanine, conf. I
190988.1401 10.0688 -6.3440 3 1225.1792669 89502 303B13279 B13180 a-Alanine, conf. I
190988.4601 10.0680 -6.3440 3 1225.1792669 89502 303B13379 B13280 a-Alanine, conf. I
191004.7716 0.0828 -5.3909 3 165.0356213 89502 3033527 8 3427 7 a-Alanine, conf. I
191004.7716 0.0828 -5.3909 3 165.0356213 89502 3033527 9 3427 8 a-Alanine, conf. I
191043.6563 1.4074 -5.9216 3 451.2543381 89502 303633429 623528 a-Alanine, conf. I
191043.6563 1.4074 -5.9216 3 451.2543381 89502 303633430 623527 a-Alanine, conf. I
191119.0243 3.9419 -6.0829 3 294.6077321 89502 303532231 531934 a-Alanine, conf. I
191161.1875 1.1778 -5.5127 3 287.6797315 89502 303522330 512427 a-Alanine, conf. I
191168.1595 0.0817 -4.6695 3 119.4067213 89502 303351025 341124 a-Alanine, conf. I
191172.1530 0.0811 -5.3375 3 160.9177213 89502 3033526 9 3426 8 a-Alanine, conf. I
191172.1530 0.0811 -5.3375 3 160.9177213 89502 303352610 3426 9 a-Alanine, conf. I
191221.4956 1.1947 -5.5124 3 287.6796315 89502 303522329 512428 a-Alanine, conf. I
191229.1783 0.5572 -5.2449 3 509.2247387 89502 303644222 644123 a-Alanine, conf. I
191229.1783 0.5572 -5.2449 3 509.2247387 89502 303644223 644124 a-Alanine, conf. I
191248.5576 1.1903 -5.3287 3 466.6118441 89502 30373 964 73 865 a-Alanine, conf. I
191248.5576 1.1903 -5.3287 3 466.6118441 89502 303731064 73 965 a-Alanine, conf. I
191267.4552 4.5098 -6.1618 3 1135.4503621 89502 303A34657 A34558 a-Alanine, conf. I
191267.4801 4.5098 -6.1618 3 1135.4503621 89502 303A34658 A34559 a-Alanine, conf. I
191274.6311 1.5924 -5.5368 3 339.7089393 89502 30365 362 65 263 a-Alanine, conf. I
191274.6311 1.5924 -5.5368 3 339.7089393 89502 30365 462 65 363 a-Alanine, conf. I
191350.0382 0.1469 -4.8549 3 132.0171255 89502 30342 042 41 041 a-Alanine, conf. I
191350.0382 0.1469 -4.2214 3 132.0171255 89502 30342 042 41 141 a-Alanine, conf. I
191350.0382 0.1469 -4.2214 3 132.0171255 89502 30342 142 41 041 a-Alanine, conf. I
191350.0382 0.1469 -4.8549 3 132.0171255 89502 30342 142 41 141 a-Alanine, conf. I
191361.7629 0.0822 -5.2898 3 156.9626213 89502 303352510 3425 9 a-Alanine, conf. I
191361.7629 0.0822 -5.2898 3 156.9626213 89502 303352511 342510 a-Alanine, conf. I
191365.0357 1.4394 -5.9617 3 468.1628387 89502 303643529 633628 a-Alanine, conf. I
191365.0357 1.4394 -5.9617 3 468.1628387 89502 303643530 633627 a-Alanine, conf. I
191370.4736 2.2460 -5.6943 3 857.8972531 89502 303884444 884345 a-Alanine, conf. I
191370.4736 2.2460 -5.6943 3 857.8972531 89502 303884445 884346 a-Alanine, conf. I
191371.0629 3.2787 -5.9281 3 1000.2370579 89502 303964551 964452 a-Alanine, conf. I
191371.0637 3.2787 -5.9281 3 1000.2370579 89502 303964552 964453 a-Alanine, conf. I
191382.4328 0.1772 -4.9929 3 118.5085207 89502 303341421 331420 a-Alanine, conf. I
191390.7325 1.3432 -5.4560 3 698.4629471 89502 303784335 784236 a-Alanine, conf. I
191390.7325 1.3432 -5.4560 3 698.4629471 89502 303784336 784237 a-Alanine, conf. I
191463.2928 0.1411 -4.9786 3 116.6992207 89502 303341322 331321 a-Alanine, conf. I
191475.9352 0.0738 -5.7896 3 61.4450159 89502 30326 620 25 520 a-Alanine, conf. I
191483.9974 5.8728 -6.3821 3 1259.5788657 89502 303A94762 A94663 a-Alanine, conf. I
191484.2564 5.8722 -6.3821 3 1259.5787657 89502 303A94763 A94664 a-Alanine, conf. I
191484.3659 1.3380 -5.3660 3 401.3331417 89502 30369 663 69 564 a-Alanine, conf. I
191484.3659 1.3380 -5.3660 3 401.3331417 89502 30369 763 69 664 a-Alanine, conf. I
191487.3167 0.5170 -5.2373 3 497.5554381 89502 303634221 634122 a-Alanine, conf. I
191487.3167 0.5170 -5.2373 3 497.5554381 89502 303634222 634123 a-Alanine, conf. I
191511.9646 0.0727 -5.7895 3 61.4452159 89502 30326 720 25 620 a-Alanine, conf. I
191562.1623 5.2110 -5.8574 3 936.8530591 89502 303982573 982474 a-Alanine, conf. I
191562.1627 5.2110 -5.8574 3 936.8530591 89502 303982673 982574 a-Alanine, conf. I
191577.7722 0.0859 -5.2468 3 153.1714213 89502 303352411 342410 a-Alanine, conf. I
191577.7722 0.0859 -5.2468 3 153.1714213 89502 303352412 342411 a-Alanine, conf. I
191582.0814 0.0693 -4.9607 3 119.4067213 89502 303351125 341124 a-Alanine, conf. I
191590.8352 0.0109 -5.6039 3 58.1630129 89502 3032117 4 2016 4 a-Alanine, conf. I
191590.8352 0.0109 -4.4820 3 58.1630129 89502 3032117 4 2016 5 a-Alanine, conf. I
191590.8352 0.0109 -4.4820 3 58.1630129 89502 3032117 5 2016 4 a-Alanine, conf. I
191590.8352 0.0109 -5.6039 3 58.1630129 89502 3032117 5 2016 5 a-Alanine, conf. I
191647.0869 0.0742 -4.8901 3 131.1021243 89502 30340 337 39 336 a-Alanine, conf. I
191647.0869 0.0742 -4.3060 3 131.1021243 89502 30340 337 39 436 a-Alanine, conf. I
191647.0869 0.0742 -4.3060 3 131.1021243 89502 30340 437 39 336 a-Alanine, conf. I
191647.0869 0.0742 -4.8901 3 131.1021243 89502 30340 437 39 436 a-Alanine, conf. I
191711.5209 1.4724 -6.0024 3 485.4092393 89502 303653629 643728 a-Alanine, conf. I
191711.5209 1.4724 -6.0024 3 485.4092393 89502 303653630 643727 a-Alanine, conf. I
191732.6212 0.4796 -5.2309 3 486.0722375 89502 303624220 624121 a-Alanine, conf. I
191732.6212 0.4796 -5.2309 3 486.0722375 89502 303624221 624122 a-Alanine, conf. I
191766.4050 2.7733 -5.5603 3 735.1034531 89502 303881969 881870 a-Alanine, conf. I
191766.4050 2.7733 -5.5603 3 735.1034531 89502 303882069 881970 a-Alanine, conf. I
191825.4767 0.0920 -5.2078 3 149.5454213 89502 303352312 342311 a-Alanine, conf. I
191825.4767 0.0920 -5.2078 3 149.5454213 89502 303352313 342312 a-Alanine, conf. I
191827.2668 8.1967 -6.3296 3 413.4570387 89502 303642144 632241 a-Alanine, conf. I
191850.1171 1.2668 -5.4359 3 684.1814465 89502 303774334 774235 a-Alanine, conf. I
191850.1171 1.2668 -5.4359 3 684.1814465 89502 303774335 774236 a-Alanine, conf. I
191857.7174 0.2200 -5.6092 3 77.3062171 89502 303281018 27 918 a-Alanine, conf. I
191865.6410 1.2423 -5.3430 3 516.3261459 89502 303761165 761066 a-Alanine, conf. I
191865.6410 1.2423 -5.3430 3 516.3261459 89502 303761265 761166 a-Alanine, conf. I
191867.8708 0.2410 -4.7841 3 121.3031213 89502 303351124 341223 a-Alanine, conf. I
191891.3862 1.1713 -5.4784 3 274.8680309 89502 303512230 502327 a-Alanine, conf. I
191953.2389 0.0693 -4.4125 3 128.3483231 89502 30338 632 37 731 a-Alanine, conf. I
191953.2396 0.0693 -4.9224 3 128.3483231 89502 30338 732 37 731 a-Alanine, conf. I
191953.2407 0.0693 -4.9224 3 128.3483231 89502 30338 632 37 631 a-Alanine, conf. I
191953.2414 0.0693 -4.4125 3 128.3483231 89502 30338 732 37 631 a-Alanine, conf. I
191965.5791 0.4450 -5.2259 3 474.7751369 89502 303614219 614120 a-Alanine, conf. I
191965.5791 0.4450 -5.2259 3 474.7751369 89502 303614220 614121 a-Alanine, conf. I
191982.2684 3.3892 -5.8341 3 274.1742315 89502 303521835 511932 a-Alanine, conf. I
192001.9433 0.0682 -4.9586 3 119.3789213 89502 303351025 341024 a-Alanine, conf. I
192020.1418 2.1291 -5.6673 3 841.7384525 89502 303874443 874344 a-Alanine, conf. I
192020.1418 2.1291 -5.6673 3 841.7384525 89502 303874444 874345 a-Alanine, conf. I
192070.0425 3.8495 -5.6978 3 833.3225561 89502 303932271 932172 a-Alanine, conf. I
192070.0426 3.8495 -5.6978 3 833.3225561 89502 303932371 932272 a-Alanine, conf. I
192079.9718 1.5063 -6.0436 3 502.9931399 89502 303663729 653828 a-Alanine, conf. I
192079.9718 1.5063 -6.0436 3 502.9931399 89502 303663730 653827 a-Alanine, conf. I
192111.7274 0.1000 -5.1721 3 146.0863213 89502 303352213 342212 a-Alanine, conf. I
192111.7274 0.1000 -5.1721 3 146.0863213 89502 303352214 342213 a-Alanine, conf. I
192113.0666 1.2266 -5.4773 3 274.8676309 89502 303512229 502328 a-Alanine, conf. I
192168.5256 1.7116 -5.6734 3 323.2641387 89502 30364 262 64 163 a-Alanine, conf. I
192168.5256 1.7116 -5.6734 3 323.2641387 89502 30364 362 64 263 a-Alanine, conf. I
192186.6600 0.4135 -5.2223 3 463.6637363 89502 303604218 604119 a-Alanine, conf. I
192186.6600 0.4135 -5.2223 3 463.6637363 89502 303604219 604120 a-Alanine, conf. I
192202.4847 3.1103 -5.8961 3 982.5727573 89502 303954550 954451 a-Alanine, conf. I
192202.4850 3.1103 -5.8961 3 982.5727573 89502 303954551 954452 a-Alanine, conf. I
192217.6714 2.2119 -5.4874 3 677.4556513 89502 303851768 851669 a-Alanine, conf. I
192217.6714 2.2119 -5.4874 3 677.4556513 89502 303851868 851769 a-Alanine, conf. I
192245.0606 1.4330 -5.3767 3 568.0492477 89502 303791366 791267 a-Alanine, conf. I
192245.0606 1.4330 -5.3767 3 568.0492477 89502 303791466 791367 a-Alanine, conf. I
192256.7307 0.0346 -4.7690 3 69.2221159 89502 303261215 251114 a-Alanine, conf. I
192282.3409 4.2733 -6.1256 3 1116.4676615 89502 303A24656 A24557 a-Alanine, conf. I
192282.3522 4.2733 -6.1256 3 1116.4676615 89502 303A24657 A24558 a-Alanine, conf. I
192284.5395 5.7631 -5.9227 3 978.4366603 89502 303A02674 A02575 a-Alanine, conf. I
192284.5405 5.7631 -5.9227 3 978.4366603 89502 303A02774 A02675 a-Alanine, conf. I
192288.5855 0.0125 -5.6127 3 59.5900135 89502 3032216 6 2115 6 a-Alanine, conf. I
192288.5855 0.0125 -4.5182 3 59.5900135 89502 3032216 7 2115 6 a-Alanine, conf. I
192288.5857 0.0125 -4.5182 3 59.5900135 89502 3032216 6 2115 7 a-Alanine, conf. I
192288.5857 0.0125 -5.6127 3 59.5900135 89502 3032216 7 2115 7 a-Alanine, conf. I
192289.3710 1.1938 -5.4165 3 670.0885459 89502 303764333 764234 a-Alanine, conf. I
192289.3710 1.1938 -5.4165 3 670.0885459 89502 303764334 764235 a-Alanine, conf. I
192369.2125 1.7614 -5.4257 3 621.7648495 89502 303821567 821468 a-Alanine, conf. I
192369.2125 1.7614 -5.4257 3 621.7648495 89502 303821667 821568 a-Alanine, conf. I
192396.3172 0.3852 -5.2202 3 452.7380357 89502 303594217 594118 a-Alanine, conf. I
192396.3172 0.3852 -5.2202 3 452.7380357 89502 303594218 594119 a-Alanine, conf. I
192415.8652 0.0774 -4.6631 3 119.3789213 89502 303351125 341024 a-Alanine, conf. I
192427.7480 1.2408 -5.3360 3 448.3340435 89502 30372 864 72 765 a-Alanine, conf. I
192427.7480 1.2408 -5.3360 3 448.3340435 89502 30372 964 72 865 a-Alanine, conf. I
192433.7207 0.2508 -5.4844 3 50.3287141 89502 30323 815 22 716 a-Alanine, conf. I
192445.5895 0.1097 -5.1392 3 142.7962213 89502 303352115 342114 a-Alanine, conf. I
192445.5897 0.1097 -5.1392 3 142.7962213 89502 303352114 342113 a-Alanine, conf. I
192467.7153 1.5412 -6.0854 3 520.9143405 89502 303673829 663928 a-Alanine, conf. I
192467.7153 1.5412 -6.0854 3 520.9143405 89502 303673830 663927 a-Alanine, conf. I
192512.4158 1.4426 -5.4036 3 383.9642411 89502 30368 563 68 464 a-Alanine, conf. I
192512.4158 1.4426 -5.4036 3 383.9642411 89502 30368 663 68 564 a-Alanine, conf. I
192529.7925 0.4870 -5.4086 3 227.1961285 89502 303471830 461927 a-Alanine, conf. I
192530.9406 0.0542 -5.5941 3 78.2621171 89502 303281117 271017 a-Alanine, conf. I
192565.3507 0.2036 -4.9552 3 109.4353201 89502 303331221 321220 a-Alanine, conf. I
192594.9880 0.3606 -5.2198 3 441.9978351 89502 303584216 584117 a-Alanine, conf. I
192594.9880 0.3606 -5.2198 3 441.9978351 89502 303584217 584118 a-Alanine, conf. I
192610.3607 0.0704 -4.5699 3 123.6066219 89502 30336 927 351026 a-Alanine, conf. I
192630.1803 0.0704 -4.9483 3 123.6066219 89502 303361027 351026 a-Alanine, conf. I
192642.3736 2.0180 -5.6410 3 825.7700519 89502 303864442 864343 a-Alanine, conf. I
192642.3736 2.0180 -5.6410 3 825.7700519 89502 303864443 864344 a-Alanine, conf. I
192654.5868 0.0704 -4.9482 3 123.6052219 89502 30336 927 35 926 a-Alanine, conf. I
192668.1239 5.5546 -6.3423 3 1239.4690651 89502 303A84761 A84662 a-Alanine, conf. I
192668.2474 5.5543 -6.3423 3 1239.4690651 89502 303A84762 A84663 a-Alanine, conf. I
192674.4065 0.0705 -4.5696 3 123.6052219 89502 303361027 35 926 a-Alanine, conf. I
192709.2868 1.1239 -5.3978 3 656.1839453 89502 303754332 754233 a-Alanine, conf. I
192709.2868 1.1239 -5.3978 3 656.1839453 89502 303754333 754234 a-Alanine, conf. I
192710.4443 0.0242 -5.6316 3 69.2221159 89502 303261214 251114 a-Alanine, conf. I
192741.2676 0.0233 -5.7310 3 42.3756129 89502 30321 913 20 614 a-Alanine, conf. I
192761.5822 0.1448 -4.9063 3 67.7120159 89502 303261115 251016 a-Alanine, conf. I
192763.4394 1.8338 -5.3371 3 199.3319267 89502 303441727 431826 a-Alanine, conf. I
192783.0952 0.3399 -5.2213 3 431.4429345 89502 303574215 574116 a-Alanine, conf. I
192783.0952 0.3399 -5.2213 3 431.4429345 89502 303574216 574117 a-Alanine, conf. I
192791.5225 1.1482 -5.4456 3 262.4066303 89502 303502130 492227 a-Alanine, conf. I
192839.4051 0.1209 -5.1088 3 139.6778213 89502 303352016 342015 a-Alanine, conf. I
192839.4088 0.1209 -5.1088 3 139.6778213 89502 303352015 342014 a-Alanine, conf. I
192872.4598 1.5770 -6.1278 3 539.1726411 89502 303683929 674028 a-Alanine, conf. I
192872.4598 1.5770 -6.1278 3 539.1726411 89502 303683930 674027 a-Alanine, conf. I
192910.5850 6.3598 -5.9907 3 1020.8510615 89502 303A22775 A22676 a-Alanine, conf. I
192910.5874 6.3598 -5.9907 3 1020.8510615 89502 303A22875 A22776 a-Alanine, conf. I
192925.9848 0.0152 -4.5593 3 61.3853141 89502 3032315 9 2214 8 a-Alanine, conf. I
192925.9885 0.0152 -5.6197 3 61.3853141 89502 3032315 8 2214 8 a-Alanine, conf. I
192926.0081 0.0152 -5.6197 3 61.3853141 89502 3032315 9 2214 9 a-Alanine, conf. I
192926.0118 0.0152 -4.5593 3 61.3853141 89502 3032315 8 2214 9 a-Alanine, conf. I
192961.0477 0.3233 -5.2248 3 421.0731339 89502 303564214 564115 a-Alanine, conf. I
192961.0477 0.3233 -5.2248 3 421.0731339 89502 303564215 564116 a-Alanine, conf. I
192969.1596 0.0565 -5.8489 3 59.5020159 89502 30326 521 25 421 a-Alanine, conf. I
192971.7196 0.0564 -5.8489 3 59.5021159 89502 30326 621 25 521 a-Alanine, conf. I
192998.8091 2.9514 -5.8649 3 965.1004567 89502 303944549 944450 a-Alanine, conf. I
192998.8092 2.9514 -5.8649 3 965.1004567 89502 303944550 944451 a-Alanine, conf. I
193013.5468 1.9248 -6.3304 3 187.3627255 89502 303421923 421626 a-Alanine, conf. I
193013.5804 3.1198 -5.6096 3 772.4476543 89502 303902070 901971 a-Alanine, conf. I
193013.5804 3.1198 -5.6096 3 772.4476543 89502 303902170 902071 a-Alanine, conf. I
193023.0791 1.8326 -5.9356 3 307.0455381 89502 30363 162 63 063 a-Alanine, conf. I
193023.0791 1.8326 -5.9356 3 307.0455381 89502 30363 262 63 163 a-Alanine, conf. I
193033.1523 2.7234 -6.3408 3 187.8924261 89502 303431528 431231 a-Alanine, conf. I
193056.4719 0.0910 -4.8726 3 133.7211249 89502 30341 239 40 238 a-Alanine, conf. I
193056.4719 0.0910 -4.2697 3 133.7211249 89502 30341 239 40 338 a-Alanine, conf. I
193056.4719 0.0910 -4.2697 3 133.7211249 89502 30341 339 40 238 a-Alanine, conf. I
193056.4719 0.0910 -4.8726 3 133.7211249 89502 30341 339 40 338 a-Alanine, conf. I
193056.8420 0.0246 -6.3751 3 56.7476147 89502 303241014 23 815 a-Alanine, conf. I
193064.7251 6.9371 -6.1825 3 363.9132363 89502 303602041 592138 a-Alanine, conf. I
193071.8307 4.2899 -5.7554 3 872.7989573 89502 303952372 952273 a-Alanine, conf. I
193071.8307 4.2899 -5.7554 3 872.7989573 89502 303952472 952373 a-Alanine, conf. I
193110.6169 1.0570 -5.3801 3 642.4675447 89502 303744331 744232 a-Alanine, conf. I
193110.6169 1.0570 -5.3801 3 642.4675447 89502 303744332 744233 a-Alanine, conf. I
193129.2412 0.3111 -5.2305 3 410.8882333 89502 303554213 554114 a-Alanine, conf. I
193129.2412 0.3111 -5.2305 3 410.8882333 89502 303554214 554115 a-Alanine, conf. I
193156.9883 1.2287 -5.3388 3 497.3667453 89502 303751065 75 966 a-Alanine, conf. I
193156.9883 1.2287 -5.3388 3 497.3667453 89502 303751165 751066 a-Alanine, conf. I
193238.3654 1.9122 -5.6155 3 809.9918513 89502 303854441 854342 a-Alanine, conf. I
193238.3654 1.9122 -5.6155 3 809.9918513 89502 303854442 854343 a-Alanine, conf. I
193239.0308 0.2864 -4.9839 3 118.5730207 89502 303341420 331419 a-Alanine, conf. I
193253.5137 4.0520 -6.0901 3 1097.6785609 89502 303A14655 A14556 a-Alanine, conf. I
193253.5187 4.0520 -6.0901 3 1097.6785609 89502 303A14656 A14557 a-Alanine, conf. I
193288.0590 0.3034 -5.2388 3 400.8882327 89502 303544212 544113 a-Alanine, conf. I
193288.0590 0.3034 -5.2388 3 400.8882327 89502 303544213 544114 a-Alanine, conf. I
193292.2285 1.6136 -6.1708 3 557.7678417 89502 303694029 684128 a-Alanine, conf. I
193292.2285 1.6136 -6.1708 3 557.7678417 89502 303694030 684127 a-Alanine, conf. I
193310.5905 0.1339 -5.0805 3 136.7349213 89502 303351917 341916 a-Alanine, conf. I
193310.6532 0.1339 -5.0805 3 136.7349213 89502 303351916 341915 a-Alanine, conf. I
193341.8977 0.0696 -4.9058 3 131.5925237 89502 30339 534 38 533 a-Alanine, conf. I
193341.8977 0.0696 -4.3661 3 131.5925237 89502 30339 534 38 633 a-Alanine, conf. I
193341.8977 0.0696 -4.3661 3 131.5925237 89502 30339 634 38 533 a-Alanine, conf. I
193341.8977 0.0696 -4.9058 3 131.5925237 89502 30339 634 38 633 a-Alanine, conf. I
193365.3571 0.0687 -4.9550 3 114.6831207 89502 303341123 331122 a-Alanine, conf. I
193392.9973 0.1108 -5.7531 3 39.8182129 89502 30321 615 20 516 a-Alanine, conf. I
193423.1418 1.1028 -6.3696 3 171.3759249 89502 303411526 401624 a-Alanine, conf. I
193436.0350 7.0045 -6.0614 3 1064.0929627 89502 303A42876 A42777 a-Alanine, conf. I
193436.0406 7.0045 -6.0614 3 1064.0929627 89502 303A42976 A42877 a-Alanine, conf. I
193437.8726 0.3001 -5.2500 3 391.0728321 89502 303534211 534112 a-Alanine, conf. I
193437.8726 0.3001 -5.2500 3 391.0728321 89502 303534212 534113 a-Alanine, conf. I
193439.2391 0.0183 -4.6083 3 63.5636147 89502 303241411 231310 a-Alanine, conf. I
193439.5700 0.0183 -5.6247 3 63.5636147 89502 303241410 231310 a-Alanine, conf. I
193441.0163 0.0183 -5.6247 3 63.5636147 89502 303241411 231311 a-Alanine, conf. I
193441.3472 0.0183 -4.6083 3 63.5636147 89502 303241410 231311 a-Alanine, conf. I
193494.0773 0.9929 -5.3631 3 628.9390441 89502 303734330 734231 a-Alanine, conf. I
193494.0773 0.9929 -5.3631 3 628.9390441 89502 303734331 734232 a-Alanine, conf. I
193495.6354 1.5563 -5.4594 3 366.8169405 89502 30367 463 67 364 a-Alanine, conf. I
193495.6354 1.5563 -5.4594 3 366.8169405 89502 30367 563 67 464 a-Alanine, conf. I
193538.7497 0.6863 -6.2409 3 182.4953255 89502 303421726 421429 a-Alanine, conf. I
193553.1608 1.3155 -5.4417 3 262.4051303 89502 303502129 492228 a-Alanine, conf. I
193555.4564 1.3170 -5.3507 3 430.2727429 89502 30371 764 71 665 a-Alanine, conf. I
193555.4564 1.3170 -5.3507 3 430.2727429 89502 30371 864 71 765 a-Alanine, conf. I
193579.0424 0.3011 -5.2645 3 381.4419315 89502 303524210 524111 a-Alanine, conf. I
193579.0424 0.3011 -5.2645 3 381.4419315 89502 303524211 524112 a-Alanine, conf. I
193615.7457 2.5015 -5.5310 3 713.5000525 89502 303871869 871770 a-Alanine, conf. I
193615.7457 2.5015 -5.5310 3 713.5000525 89502 303871969 871870 a-Alanine, conf. I
193645.3337 0.0210 -4.6715 3 66.1513153 89502 303251313 241212 a-Alanine, conf. I
193657.8639 1.3442 -5.3641 3 548.4159471 89502 303781266 781167 a-Alanine, conf. I
193657.8639 1.3442 -5.3641 3 548.4159471 89502 303781366 781267 a-Alanine, conf. I
193661.8125 0.0212 -5.6279 3 66.1513153 89502 303251312 241212 a-Alanine, conf. I
193680.1359 1.0711 -5.4167 3 250.3002297 89502 303492030 482127 a-Alanine, conf. I
193708.7089 5.2256 -6.0133 3 317.4633339 89502 303561938 552035 a-Alanine, conf. I
193711.9178 0.3059 -5.2829 3 371.9954309 89502 3035142 9 514110 a-Alanine, conf. I
193711.9178 0.3059 -5.2829 3 371.9954309 89502 303514210 514111 a-Alanine, conf. I
193718.4619 0.0218 -5.6277 3 66.1489153 89502 303251313 241213 a-Alanine, conf. I
193725.3056 1.6511 -6.2143 3 576.6996423 89502 303704129 694228 a-Alanine, conf. I
193725.3056 1.6511 -6.2143 3 576.6996423 89502 303704130 694227 a-Alanine, conf. I
193734.9407 0.0221 -4.6712 3 66.1489153 89502 303251312 241213 a-Alanine, conf. I
193761.7517 2.8012 -5.8343 3 947.8198561 89502 303934548 934449 a-Alanine, conf. I
193761.7517 2.8012 -5.8343 3 947.8198561 89502 303934549 934450 a-Alanine, conf. I
193799.8027 5.2591 -6.3034 3 1219.5538645 89502 303A74760 A74661 a-Alanine, conf. I
193799.8608 5.2589 -6.3034 3 1219.5538645 89502 303A74761 A74662 a-Alanine, conf. I
193805.1797 0.0725 -4.4980 3 127.5483225 89502 30337 829 36 928 a-Alanine, conf. I
193805.8252 0.0725 -4.9344 3 127.5483225 89502 30337 929 36 928 a-Alanine, conf. I
193806.7310 0.0725 -4.9343 3 127.5482225 89502 30337 829 36 828 a-Alanine, conf. I
193807.3764 0.0725 -4.4980 3 127.5482225 89502 30337 929 36 828 a-Alanine, conf. I
193809.2380 1.8114 -5.5906 3 794.4036507 89502 303844440 844341 a-Alanine, conf. I
193809.2380 1.8114 -5.5906 3 794.4036507 89502 303844441 844342 a-Alanine, conf. I
193819.7671 0.0306 -5.6279 3 69.1699159 89502 303261215 251115 a-Alanine, conf. I
193821.0468 0.5597 -4.9031 3 129.6512219 89502 303361224 351323 a-Alanine, conf. I
193836.8384 0.3140 -5.3060 3 362.7330303 89502 3035042 8 5041 9 a-Alanine, conf. I
193836.8384 0.3140 -5.3060 3 362.7330303 89502 3035042 9 504110 a-Alanine, conf. I
193839.1613 0.9809 -6.2923 3 172.4321249 89502 303411626 411329 a-Alanine, conf. I
193853.9814 0.3511 -6.3010 3 162.0818243 89502 303401426 391524 a-Alanine, conf. I
193856.1866 7.7014 -6.1348 3 1108.1592639 89502 303A62977 A62878 a-Alanine, conf. I
193856.1999 7.7014 -6.1348 3 1108.1592639 89502 303A63077 A62978 a-Alanine, conf. I
193860.3500 0.9316 -5.3470 3 615.5982435 89502 303724329 724230 a-Alanine, conf. I
193860.3500 0.9316 -5.3470 3 615.5982435 89502 303724330 724231 a-Alanine, conf. I
193884.7119 0.1488 -5.0540 3 133.9723213 89502 303351818 341817 a-Alanine, conf. I
193885.5927 0.1489 -5.0540 3 133.9724213 89502 303351817 341816 a-Alanine, conf. I
193907.3974 1.9933 -5.4629 3 656.4998507 89502 303841668 841569 a-Alanine, conf. I
193907.3974 1.9933 -5.4629 3 656.4998507 89502 303841768 841669 a-Alanine, conf. I
193914.2037 1.6025 -5.4066 3 601.4659489 89502 303811467 811368 a-Alanine, conf. I
193914.2037 1.6025 -5.4066 3 601.4659489 89502 303811567 811468 a-Alanine, conf. I
193954.1339 0.3250 -5.3347 3 353.6547297 89502 3034942 7 4941 8 a-Alanine, conf. I
193954.1339 0.3250 -5.3347 3 353.6547297 89502 3034942 8 4941 9 a-Alanine, conf. I
193968.4814 5.2183 -6.1312 3 277.8244315 89502 303521933 521636 a-Alanine, conf. I
193989.1785 4.7666 -5.8159 3 913.1149585 89502 303972473 972374 a-Alanine, conf. I
193989.1786 4.7666 -5.8159 3 913.1149585 89502 303972573 972474 a-Alanine, conf. I
194004.4444 0.8732 -5.3985 3 238.5575291 89502 303481930 472027 a-Alanine, conf. I
194064.1244 0.3383 -5.3706 3 344.7603291 89502 3034842 6 4841 7 a-Alanine, conf. I
194064.1244 0.3383 -5.3706 3 344.7603291 89502 3034842 7 4841 8 a-Alanine, conf. I
194165.8302 8.4552 -6.2108 3 1153.0464651 89502 303A83078 A82979 a-Alanine, conf. I
194165.8611 8.4551 -6.2108 3 1153.0464651 89502 303A83178 A83079 a-Alanine, conf. I
194167.1216 0.3534 -5.4156 3 336.0497285 89502 3034742 5 4741 6 a-Alanine, conf. I
194167.1216 0.3534 -5.4156 3 336.0497285 89502 3034742 6 4741 7 a-Alanine, conf. I
194168.2783 0.0497 -5.9272 3 57.4135159 89502 30326 422 25 322 a-Alanine, conf. I
194168.4098 0.0497 -5.9272 3 57.4135159 89502 30326 522 25 422 a-Alanine, conf. I
194170.1943 1.6896 -6.2584 3 595.9680429 89502 303714229 704328 a-Alanine, conf. I
194170.1943 1.6896 -6.2584 3 595.9680429 89502 303714230 704327 a-Alanine, conf. I
194183.3798 3.8444 -6.0553 3 1079.0823603 89502 303A04654 A04555 a-Alanine, conf. I
194183.3820 3.8444 -6.0553 3 1079.0823603 89502 303A04655 A04556 a-Alanine, conf. I
194185.1810 3.4975 -5.6621 3 810.6395555 89502 303922171 922072 a-Alanine, conf. I
194185.1810 3.4975 -5.6621 3 810.6395555 89502 303922271 922172 a-Alanine, conf. I
194210.0859 0.8729 -5.3318 3 602.4448429 89502 303714328 714229 a-Alanine, conf. I
194210.0859 0.8729 -5.3318 3 602.4448429 89502 303714329 714230 a-Alanine, conf. I
194263.4280 0.3700 -5.4732 3 327.5227279 89502 3034642 4 4641 5 a-Alanine, conf. I
194263.4280 0.3700 -5.4732 3 327.5227279 89502 3034642 5 4641 6 a-Alanine, conf. I
194273.4806 0.0445 -4.7633 3 69.1699159 89502 303261214 251115 a-Alanine, conf. I
194288.1415 4.1559 -5.9693 3 410.9965381 89502 303632439 632142 a-Alanine, conf. I
194291.0105 0.1804 -5.6217 3 44.9717135 89502 30322 715 21 616 a-Alanine, conf. I
194319.7061 0.1563 -5.6843 3 69.5460165 89502 30327 819 26 719 a-Alanine, conf. I
194345.0469 5.6745 -5.9923 3 384.6710369 89502 303612338 612041 a-Alanine, conf. I
194353.3383 0.3876 -5.5487 3 319.1792273 89502 3034542 3 4541 4 a-Alanine, conf. I
194353.3383 0.3876 -5.5487 3 319.1792273 89502 3034542 4 4541 5 a-Alanine, conf. I
194353.3581 3.9073 -5.9994 3 375.5212363 89502 303602436 602139 a-Alanine, conf. I
194356.0437 1.7152 -5.5665 3 779.0049501 89502 303834439 834340 a-Alanine, conf. I
194356.0437 1.7152 -5.5665 3 779.0049501 89502 303834440 834341 a-Alanine, conf. I
194359.1655 9.2713 -6.2895 3 1198.7510663 89502 303B03179 B03080 a-Alanine, conf. I
194359.2363 9.2711 -6.2895 3 1198.7510663 89502 303B03279 B03180 a-Alanine, conf. I
194391.9091 1.2527 -5.3396 3 478.6201447 89502 30374 965 74 866 a-Alanine, conf. I
194391.9091 1.2527 -5.3396 3 478.6201447 89502 303741065 74 966 a-Alanine, conf. I
194429.6963 10.1560 -6.3707 3 1245.2692675 89502 303B23280 B23181 a-Alanine, conf. I
194429.8570 10.1556 -6.3707 3 1245.2692675 89502 303B23380 B23281 a-Alanine, conf. I
194436.1588 1.6759 -5.5439 3 349.8927399 89502 30366 363 66 264 a-Alanine, conf. I
194436.1588 1.6759 -5.5439 3 349.8927399 89502 30366 463 66 364 a-Alanine, conf. I
194437.1389 0.4059 -5.6526 3 311.0191267 89502 3034442 2 4441 3 a-Alanine, conf. I
194437.1389 0.4059 -5.6526 3 311.0191267 89502 3034442 3 4441 4 a-Alanine, conf. I
194459.0130 0.1189 -4.8552 3 136.1532255 89502 30342 141 41 140 a-Alanine, conf. I
194459.0130 0.1189 -4.2359 3 136.1532255 89502 30342 141 41 240 a-Alanine, conf. I
194459.0130 0.1189 -4.2359 3 136.1532255 89502 30342 241 41 140 a-Alanine, conf. I
194459.0130 0.1189 -4.8552 3 136.1532255 89502 30342 241 41 240 a-Alanine, conf. I
194471.0849 0.1096 -5.6491 3 71.1232165 89502 303271018 26 918 a-Alanine, conf. I
194492.8992 2.6591 -5.8044 3 930.7305555 89502 303924547 924448 a-Alanine, conf. I
194492.8993 2.6591 -5.8044 3 930.7305555 89502 303924548 924449 a-Alanine, conf. I
194515.1086 0.4248 -5.8078 3 303.0422261 89502 3034342 1 4341 2 a-Alanine, conf. I
194515.1086 0.4248 -5.8078 3 303.0422261 89502 3034342 2 4341 3 a-Alanine, conf. I
194543.9068 0.8169 -5.3175 3 589.4787423 89502 303704327 704228 a-Alanine, conf. I
194543.9068 0.8169 -5.3175 3 589.4787423 89502 303704328 704229 a-Alanine, conf. I
194587.5186 0.4440 -6.0881 3 295.2484255 89502 3034242 0 4241 1 a-Alanine, conf. I
194587.5186 0.4440 -6.0881 3 295.2484255 89502 3034242 1 4241 2 a-Alanine, conf. I
194599.3281 0.1663 -5.0288 3 131.3974213 89502 303351719 341718 a-Alanine, conf. I
194609.5076 0.1673 -5.0288 3 131.3976213 89502 303351718 341717 a-Alanine, conf. I
194625.5820 1.7289 -6.3032 3 615.5726435 89502 303724329 714428 a-Alanine, conf. I
194625.5820 1.7289 -6.3032 3 615.5726435 89502 303724330 714427 a-Alanine, conf. I
194634.3123 1.4123 -5.3750 3 412.4296423 89502 30370 664 70 565 a-Alanine, conf. I
194634.3123 1.4123 -5.3750 3 412.4296423 89502 30370 764 70 665 a-Alanine, conf. I
194736.4612 0.0858 -4.9535 3 121.3031213 89502 303351224 341223 a-Alanine, conf. I
194746.7841 0.0721 -4.8890 3 134.6397243 89502 30340 436 39 435 a-Alanine, conf. I
194746.7841 0.0721 -4.3245 3 134.6397243 89502 30340 436 39 535 a-Alanine, conf. I
194746.7841 0.0721 -4.3245 3 134.6397243 89502 30340 536 39 435 a-Alanine, conf. I
194746.7841 0.0721 -4.8890 3 134.6397243 89502 30340 536 39 535 a-Alanine, conf. I
194818.9595 5.2819 -5.8792 3 954.2677597 89502 303992574 992475 a-Alanine, conf. I
194818.9596 5.2819 -5.8792 3 954.2677597 89502 303992674 992575 a-Alanine, conf. I
194862.4077 0.7634 -5.3041 3 576.6996417 89502 303694326 694227 a-Alanine, conf. I
194862.4077 0.7634 -5.3041 3 576.6996417 89502 303694327 694228 a-Alanine, conf. I
194879.7728 1.6233 -5.5430 3 763.7956495 89502 303824438 824339 a-Alanine, conf. I
194879.7728 1.6233 -5.5430 3 763.7956495 89502 303824439 824340 a-Alanine, conf. I
194882.2517 4.9838 -6.2651 3 1199.8329639 89502 303A64759 A64660 a-Alanine, conf. I
194882.2786 4.9837 -6.2651 3 1199.8329639 89502 303A64760 A64661 a-Alanine, conf. I
194943.2233 2.8209 -5.5780 3 750.3970537 89502 303891970 891871 a-Alanine, conf. I
194943.2233 2.8209 -5.5780 3 750.3970537 89502 303892070 891971 a-Alanine, conf. I
195008.5512 1.2959 -5.3553 3 528.9916465 89502 303771166 771067 a-Alanine, conf. I
195008.5512 1.2959 -5.3553 3 528.9916465 89502 303771266 771167 a-Alanine, conf. I
195074.1351 3.6493 -6.0212 3 1060.6788597 89502 303994653 994554 a-Alanine, conf. I
195074.1361 3.6493 -6.0212 3 1060.6788597 89502 303994654 994555 a-Alanine, conf. I
195090.3124 1.7691 -6.3485 3 635.5135441 89502 303734429 724528 a-Alanine, conf. I
195090.3124 1.7691 -6.3485 3 635.5135441 89502 303734430 724527 a-Alanine, conf. I
195101.8936 0.0738 -4.4394 3 131.2570231 89502 30338 731 37 830 a-Alanine, conf. I
195101.9086 0.0738 -4.9193 3 131.2570231 89502 30338 831 37 830 a-Alanine, conf. I
195101.9319 0.0738 -4.9193 3 131.2570231 89502 30338 731 37 730 a-Alanine, conf. I
195101.9470 0.0738 -4.4394 3 131.2570231 89502 30338 831 37 730 a-Alanine, conf. I
195166.1587 0.7124 -5.2918 3 564.1074411 89502 303684325 684226 a-Alanine, conf. I
195166.1587 0.7124 -5.2918 3 564.1074411 89502 303684326 684227 a-Alanine, conf. I
195171.5214 0.0552 -6.0342 3 55.1874159 89502 30326 323 25 223 a-Alanine, conf. I
195171.5262 0.0552 -6.0342 3 55.1874159 89502 30326 423 25 323 a-Alanine, conf. I
195193.7233 2.5243 -5.7752 3 913.8323549 89502 303914546 914447 a-Alanine, conf. I
195193.7233 2.5243 -5.7752 3 913.8323549 89502 303914547 914448 a-Alanine, conf. I
195278.8188 3.9079 -5.7176 3 849.6763567 89502 303942272 942173 a-Alanine, conf. I
195278.8188 3.9079 -5.7176 3 849.6763567 89502 303942372 942273 a-Alanine, conf. I
195316.0898 0.0835 -5.7495 3 39.8170129 89502 30321 715 20 416 a-Alanine, conf. I
195335.9663 1.7989 -5.6801 3 333.1932393 89502 30365 263 65 164 a-Alanine, conf. I
195335.9663 1.7989 -5.6801 3 333.1932393 89502 30365 363 65 264 a-Alanine, conf. I
195379.1962 2.2552 -5.5038 3 692.0922519 89502 303861769 861670 a-Alanine, conf. I
195379.1962 2.2552 -5.5038 3 692.0922519 89502 303861869 861770 a-Alanine, conf. I
195381.3587 1.5355 -5.5203 3 748.7754489 89502 303814437 814338 a-Alanine, conf. I
195381.3587 1.5355 -5.5203 3 748.7754489 89502 303814438 814339 a-Alanine, conf. I
195381.4552 1.3098 -5.1343 3 154.2725237 89502 303391425 381524 a-Alanine, conf. I
195390.4555 1.4791 -5.3904 3 581.3718483 89502 303801367 801268 a-Alanine, conf. I
195390.4555 1.4791 -5.3904 3 581.3718483 89502 303801467 801368 a-Alanine, conf. I
195455.7068 0.6639 -5.2804 3 551.7019405 89502 303674324 674225 a-Alanine, conf. I
195455.7068 0.6639 -5.2804 3 551.7019405 89502 303674325 674226 a-Alanine, conf. I
195495.5380 0.1858 -5.0048 3 129.0200213 89502 303351620 341619 a-Alanine, conf. I
195496.1913 0.0739 -5.6240 3 72.5728165 89502 303271117 261017 a-Alanine, conf. I
195520.5742 1.8039 -5.4407 3 635.7444501 89502 303831568 831469 a-Alanine, conf. I
195520.5742 1.8039 -5.4407 3 635.7444501 89502 303831668 831569 a-Alanine, conf. I
195557.7699 5.8384 -5.9453 3 996.2542609 89502 303A12675 A12576 a-Alanine, conf. I
195557.7704 5.8384 -5.9453 3 996.2542609 89502 303A12775 A12676 a-Alanine, conf. I
195558.1803 0.0168 -5.5599 3 59.8286123 89502 3032019 1 1918 1 a-Alanine, conf. I
195558.1803 0.0168 -4.4053 3 59.8286123 89502 3032019 1 1918 2 a-Alanine, conf. I
195558.1803 0.0168 -4.4053 3 59.8286123 89502 3032019 2 1918 1 a-Alanine, conf. I
195558.1803 0.0168 -5.5599 3 59.8286123 89502 3032019 2 1918 2 a-Alanine, conf. I
195573.4274 1.3085 -5.3465 3 460.0882441 89502 30373 865 73 766 a-Alanine, conf. I
195573.4274 1.3085 -5.3465 3 460.0882441 89502 30373 965 73 866 a-Alanine, conf. I
195590.0645 0.1943 -5.0044 3 129.0223213 89502 303351619 341618 a-Alanine, conf. I
195643.7368 0.1164 -5.6792 3 69.5614165 89502 30327 919 26 819 a-Alanine, conf. I
195660.7480 0.1688 -6.3205 3 210.1053219 89502 3033635 1 3535 0 a-Alanine, conf. I
195660.7480 0.1688 -6.3205 3 210.1053219 89502 3033635 2 3535 1 a-Alanine, conf. I
195666.7339 1.5210 -5.4122 3 394.8063417 89502 30369 564 69 465 a-Alanine, conf. I
195666.7339 1.5210 -5.4122 3 394.8063417 89502 30369 664 69 565 a-Alanine, conf. I
195731.5771 0.6180 -5.2701 3 539.4829399 89502 303664323 664224 a-Alanine, conf. I
195731.5771 0.6180 -5.2701 3 539.4829399 89502 303664324 664225 a-Alanine, conf. I
195738.0439 0.1533 -6.0140 3 204.7089219 89502 3033634 2 3534 1 a-Alanine, conf. I
195738.0439 0.1533 -6.0140 3 204.7089219 89502 3033634 3 3534 2 a-Alanine, conf. I
195753.8933 3.4216 -6.1804 3 252.9453297 89502 303492128 491831 a-Alanine, conf. I
195823.2901 0.1389 -5.8329 3 199.4715219 89502 3033633 3 3533 2 a-Alanine, conf. I
195823.2901 0.1389 -5.8329 3 199.4715219 89502 3033633 4 3533 3 a-Alanine, conf. I
195839.6697 0.0778 -4.6257 3 125.7972219 89502 303361026 351125 a-Alanine, conf. I
195851.1789 0.1581 -4.8379 3 138.3999261 89502 30343 043 42 042 a-Alanine, conf. I
195851.1789 0.1581 -4.2042 3 138.3999261 89502 30343 043 42 142 a-Alanine, conf. I
195851.1789 0.1581 -4.2042 3 138.3999261 89502 30343 143 42 042 a-Alanine, conf. I
195851.1789 0.1581 -4.8379 3 138.3999261 89502 30343 143 42 142 a-Alanine, conf. I
195861.6832 1.4515 -5.4984 3 733.9441483 89502 303804436 804337 a-Alanine, conf. I
195861.6832 1.4515 -5.4984 3 733.9441483 89502 303804437 804338 a-Alanine, conf. I
195865.5927 2.3963 -5.7466 3 897.1248543 89502 303904545 904446 a-Alanine, conf. I
195865.5927 2.3963 -5.7466 3 897.1248543 89502 303904546 904447 a-Alanine, conf. I
195899.6051 0.0679 -4.7863 3 74.1419165 89502 303271216 261115 a-Alanine, conf. I
195917.5050 0.1257 -5.7033 3 194.3934219 89502 3033632 4 3532 3 a-Alanine, conf. I
195917.5050 0.1257 -5.7033 3 194.3934219 89502 3033632 5 3532 4 a-Alanine, conf. I
195918.3654 4.7268 -6.2275 3 1180.3056633 89502 303A54758 A54659 a-Alanine, conf. I
195918.3777 4.7267 -6.2275 3 1180.3056633 89502 303A54759 A54660 a-Alanine, conf. I
195927.7908 3.4655 -5.9878 3 1042.4676591 89502 303984652 984553 a-Alanine, conf. I
195927.7912 3.4655 -5.9878 3 1042.4676591 89502 303984653 984554 a-Alanine, conf. I
195994.2746 0.5747 -5.2610 3 527.4501393 89502 303654322 654223 a-Alanine, conf. I
195994.2746 0.5747 -5.2610 3 527.4501393 89502 303654323 654224 a-Alanine, conf. I
196021.8839 0.1140 -5.6021 3 189.4749219 89502 3033631 5 3531 4 a-Alanine, conf. I
196021.8839 0.1140 -5.6021 3 189.4749219 89502 3033631 6 3531 5 a-Alanine, conf. I
196029.8353 0.0699 -6.1929 3 52.8296159 89502 30326 224 25 124 a-Alanine, conf. I
196029.8354 0.0699 -6.1929 3 52.8296159 89502 30326 324 25 224 a-Alanine, conf. I
196039.4414 0.0737 -4.9411 3 125.7972219 89502 303361126 351125 a-Alanine, conf. I
196087.7318 1.5261 -5.4039 3 250.2948297 89502 303492029 482128 a-Alanine, conf. I
196137.8400 0.1041 -5.5191 3 184.7165219 89502 3033630 6 3530 5 a-Alanine, conf. I
196137.8400 0.1041 -5.5191 3 184.7165219 89502 3033630 7 3530 6 a-Alanine, conf. I
196156.2729 0.0806 -4.8722 3 137.4947249 89502 30341 338 40 337 a-Alanine, conf. I
196156.2729 0.0806 -4.2865 3 137.4947249 89502 30341 338 40 437 a-Alanine, conf. I
196156.2729 0.0806 -4.2865 3 137.4947249 89502 30341 438 40 337 a-Alanine, conf. I
196156.2729 0.0806 -4.8722 3 137.4947249 89502 30341 438 40 437 a-Alanine, conf. I
196196.9007 1.9236 -5.9418 3 316.7196387 89502 30364 163 64 064 a-Alanine, conf. I
196196.9007 1.9236 -5.9418 3 316.7196387 89502 30364 263 64 164 a-Alanine, conf. I
196198.0900 3.1708 -5.6282 3 788.1440549 89502 303912071 911972 a-Alanine, conf. I
196198.0900 3.1708 -5.6282 3 788.1440549 89502 303912171 912072 a-Alanine, conf. I
196201.8935 6.4393 -6.0142 3 1039.0715621 89502 303A32776 A32677 a-Alanine, conf. I
196201.8947 6.4393 -6.0142 3 1039.0715621 89502 303A32876 A32777 a-Alanine, conf. I
196244.2854 0.5341 -5.2530 3 515.6034387 89502 303644321 644222 a-Alanine, conf. I
196244.2854 0.5341 -5.2530 3 515.6034387 89502 303644322 644223 a-Alanine, conf. I
196253.5916 0.0731 -4.9400 3 125.7834219 89502 303361026 351025 a-Alanine, conf. I
196267.0554 0.0962 -5.4486 3 180.1186219 89502 3033629 7 3529 6 a-Alanine, conf. I
196267.0554 0.0962 -5.4486 3 180.1186219 89502 3033629 8 3529 7 a-Alanine, conf. I
196291.9174 4.3527 -5.7761 3 889.5556579 89502 303962373 962274 a-Alanine, conf. I
196291.9174 4.3527 -5.7761 3 889.5556579 89502 303962473 962374 a-Alanine, conf. I
196292.6764 0.0124 -5.5710 3 60.7318129 89502 3032118 3 2017 3 a-Alanine, conf. I
196292.6764 0.0124 -4.4363 3 60.7318129 89502 3032118 3 2017 4 a-Alanine, conf. I
196292.6764 0.0124 -4.4363 3 60.7318129 89502 3032118 4 2017 3 a-Alanine, conf. I
196292.6764 0.0124 -5.5710 3 60.7318129 89502 3032118 4 2017 4 a-Alanine, conf. I
196300.6360 1.2881 -5.3507 3 509.7782459 89502 303761066 76 967 a-Alanine, conf. I
196300.6360 1.2881 -5.3507 3 509.7782459 89502 303761166 761067 a-Alanine, conf. I
196321.5810 1.3711 -5.4772 3 719.3014477 89502 303794435 794336 a-Alanine, conf. I
196321.5810 1.3711 -5.4772 3 719.3014477 89502 303794436 794337 a-Alanine, conf. I
196332.2861 0.0445 -6.1136 3 33.2680123 89502 30320 416 19 317 a-Alanine, conf. I
196370.0636 0.0441 -6.1135 3 33.2680123 89502 30320 516 19 217 a-Alanine, conf. I
196411.5484 0.0909 -5.3875 3 175.6818219 89502 3033628 8 3528 7 a-Alanine, conf. I
196411.5484 0.0909 -5.3875 3 175.6818219 89502 3033628 9 3528 8 a-Alanine, conf. I
196435.2719 1.3775 -5.7009 3 382.4715357 89502 303592931 583028 a-Alanine, conf. I
196435.2955 1.3775 -5.7009 3 382.4715357 89502 303592930 583029 a-Alanine, conf. I
196443.5891 1.7106 -5.9728 3 425.7409387 89502 303642539 642242 a-Alanine, conf. I
196453.1968 1.3555 -5.6634 3 367.4250351 89502 303582831 572928 a-Alanine, conf. I
196453.3076 1.3555 -5.6634 3 367.4250351 89502 303582830 572929 a-Alanine, conf. I
196453.3634 0.0755 -4.6227 3 125.7834219 89502 303361126 351025 a-Alanine, conf. I
196461.3757 0.0742 -4.3891 3 134.7511237 89502 30339 633 38 732 a-Alanine, conf. I
196461.3759 0.0742 -4.9037 3 134.7511237 89502 30339 733 38 732 a-Alanine, conf. I
196461.3763 0.0742 -4.9037 3 134.7511237 89502 30339 633 38 632 a-Alanine, conf. I
196461.3766 0.0742 -4.3891 3 134.7511237 89502 30339 733 38 632 a-Alanine, conf. I
196482.0779 0.4963 -5.2463 3 503.9427381 89502 303634320 634221 a-Alanine, conf. I
196482.0779 0.4963 -5.2463 3 503.9427381 89502 303634321 634222 a-Alanine, conf. I
196490.2241 1.4021 -5.7389 3 397.8589363 89502 303603031 593128 a-Alanine, conf. I
196490.2290 1.4021 -5.7389 3 397.8589363 89502 303603030 593129 a-Alanine, conf. I
196498.0915 0.3288 -6.2472 3 184.7083255 89502 303421825 421528 a-Alanine, conf. I
196509.7835 2.2746 -5.7188 3 880.6077537 89502 303894544 894445 a-Alanine, conf. I
196509.7835 2.2746 -5.7188 3 880.6077537 89502 303894545 894446 a-Alanine, conf. I
196525.7392 0.1994 -4.9820 3 126.8521213 89502 303351521 341520 a-Alanine, conf. I
196559.1719 1.3367 -5.6264 3 352.7200345 89502 303572731 562828 a-Alanine, conf. I
196559.6721 1.3369 -5.6264 3 352.7200345 89502 303572730 562829 a-Alanine, conf. I
196562.6866 1.9031 -5.3495 3 218.4950279 89502 303461828 451927 a-Alanine, conf. I
196573.7637 0.0884 -5.3335 3 171.4069219 89502 3033627 9 3527 8 a-Alanine, conf. I
196573.7637 0.0884 -5.3335 3 171.4069219 89502 303362710 3527 9 a-Alanine, conf. I
196594.9379 0.4214 -6.2825 3 176.8402249 89502 303411824 411527 a-Alanine, conf. I
196606.1806 1.4288 -5.7774 3 413.5865369 89502 303613131 603228 a-Alanine, conf. I
196606.1816 1.4288 -5.7774 3 413.5865369 89502 303613130 603229 a-Alanine, conf. I
196654.9533 1.6387 -5.4676 3 377.4045411 89502 30368 464 68 365 a-Alanine, conf. I
196654.9533 1.6387 -5.4676 3 377.4045411 89502 30368 564 68 465 a-Alanine, conf. I
196704.3077 1.3896 -5.3608 3 441.7726435 89502 30372 765 72 666 a-Alanine, conf. I
196704.3077 1.3896 -5.3608 3 441.7726435 89502 30372 865 72 766 a-Alanine, conf. I
196708.1038 0.4616 -5.2409 3 492.4677375 89502 303624319 624220 a-Alanine, conf. I
196708.1038 0.4616 -5.2409 3 492.4677375 89502 303624320 624221 a-Alanine, conf. I
196709.9901 6.5114 -6.0330 3 359.1580357 89502 303592237 591940 a-Alanine, conf. I
196746.1956 3.2921 -5.9551 3 1024.4483585 89502 303974651 974552 a-Alanine, conf. I
196746.1958 3.2921 -5.9551 3 1024.4483585 89502 303974652 974553 a-Alanine, conf. I
196747.2595 7.0880 -6.0857 3 1082.7164633 89502 303A52877 A52778 a-Alanine, conf. I
196747.2622 7.0880 -6.0857 3 1082.7164633 89502 303A52977 A52878 a-Alanine, conf. I
196756.6919 0.0888 -5.2854 3 167.2945219 89502 303362610 3526 9 a-Alanine, conf. I
196756.6919 0.0888 -5.2854 3 167.2945219 89502 303362611 352610 a-Alanine, conf. I
196761.8430 1.2941 -5.4567 3 704.8470471 89502 303784434 784335 a-Alanine, conf. I
196761.8430 1.2941 -5.4567 3 704.8470471 89502 303784435 784336 a-Alanine, conf. I
196772.7940 1.3219 -5.5897 3 338.3576339 89502 303562631 552728 a-Alanine, conf. I
196773.7142 1.4575 -5.8164 3 429.6538375 89502 303623231 613328 a-Alanine, conf. I
196773.7144 1.4575 -5.8164 3 429.6538375 89502 303623230 613329 a-Alanine, conf. I
196774.9648 1.3228 -5.5897 3 338.3576339 89502 303562630 552729 a-Alanine, conf. I
196782.8861 2.5471 -5.5483 3 728.5394531 89502 303881870 881771 a-Alanine, conf. I
196782.8861 2.5471 -5.5483 3 728.5394531 89502 303881970 881871 a-Alanine, conf. I
196802.0959 1.3949 -5.3774 3 561.4846477 89502 303791267 791168 a-Alanine, conf. I
196802.0959 1.3949 -5.3774 3 561.4846477 89502 303791367 791268 a-Alanine, conf. I
196826.4565 0.1340 -4.9526 3 123.0858213 89502 303351323 341322 a-Alanine, conf. I
196846.6024 4.6117 -6.0668 3 328.3534339 89502 303562333 562036 a-Alanine, conf. I
196910.7626 4.4861 -6.1906 3 1160.9715627 89502 303A44757 A44658 a-Alanine, conf. I
196910.7682 4.4861 -6.1906 3 1160.9715627 89502 303A44758 A44659 a-Alanine, conf. I
196922.7991 0.4301 -5.2370 3 481.1784369 89502 303614318 614219 a-Alanine, conf. I
196922.7991 0.4301 -5.2370 3 481.1784369 89502 303614319 614220 a-Alanine, conf. I
196924.8259 0.0338 -5.6074 3 74.1419165 89502 303271215 261115 a-Alanine, conf. I
196964.0362 0.0920 -5.2419 3 163.3457219 89502 303362511 352510 a-Alanine, conf. I
196964.0362 0.0920 -5.2419 3 163.3457219 89502 303362512 352511 a-Alanine, conf. I
196965.2803 0.0781 -4.9412 3 121.1331213 89502 303351124 341123 a-Alanine, conf. I
196985.2320 1.4877 -5.8559 3 446.0601381 89502 303633330 623429 a-Alanine, conf. I
196985.2320 1.4877 -5.8559 3 446.0601381 89502 303633331 623428 a-Alanine, conf. I
197009.0219 0.0123 -5.5806 3 61.9902135 89502 3032217 5 2116 5 a-Alanine, conf. I
197009.0219 0.0123 -4.4697 3 61.9902135 89502 3032217 5 2116 6 a-Alanine, conf. I
197009.0219 0.0123 -4.4697 3 61.9902135 89502 3032217 6 2116 5 a-Alanine, conf. I
197009.0219 0.0123 -5.5806 3 61.9902135 89502 3032217 6 2116 6 a-Alanine, conf. I
197062.1125 1.6472 -5.4212 3 615.1915495 89502 303821468 821369 a-Alanine, conf. I
197062.1125 1.6472 -5.4212 3 615.1915495 89502 303821568 821469 a-Alanine, conf. I
197062.6812 2.0364 -5.4789 3 670.8823513 89502 303851669 851570 a-Alanine, conf. I
197062.6812 2.0364 -5.4789 3 670.8823513 89502 303851769 851670 a-Alanine, conf. I
197073.1085 0.3212 -5.4265 3 236.0963291 89502 303481831 471928 a-Alanine, conf. I
197081.2977 0.0757 -4.5372 3 130.0321225 89502 30337 928 361027 a-Alanine, conf. I
197090.0260 0.0757 -4.9291 3 130.0321225 89502 303371028 361027 a-Alanine, conf. I
197101.1174 0.0757 -4.9290 3 130.0314225 89502 30337 928 36 927 a-Alanine, conf. I
197107.9145 2.0258 -5.9698 3 438.1235393 89502 303652540 652243 a-Alanine, conf. I
197109.8457 0.0758 -4.5371 3 130.0314225 89502 303371028 36 927 a-Alanine, conf. I
197119.2411 1.3118 -5.5535 3 324.3390333 89502 303552531 542628 a-Alanine, conf. I
197126.5854 0.4022 -5.2346 3 470.0744363 89502 303604317 604218 a-Alanine, conf. I
197126.5854 0.4022 -5.2346 3 470.0744363 89502 303604318 604219 a-Alanine, conf. I
197127.4886 2.1587 -5.6916 3 864.2806531 89502 303884543 884444 a-Alanine, conf. I
197127.4886 2.1587 -5.6916 3 864.2806531 89502 303884544 884445 a-Alanine, conf. I
197128.2564 1.3150 -5.5535 3 324.3389333 89502 303552530 542629 a-Alanine, conf. I
197181.0707 0.3224 -4.9465 3 117.0179207 89502 303341321 331320 a-Alanine, conf. I
197183.2206 1.2204 -5.4370 3 690.5808465 89502 303774433 774334 a-Alanine, conf. I
197183.2206 1.2204 -5.4370 3 690.5808465 89502 303774434 774335 a-Alanine, conf. I
197189.3924 7.7884 -6.1599 3 1127.1856645 89502 303A72978 A72879 a-Alanine, conf. I
197189.3988 7.7884 -6.1599 3 1127.1856645 89502 303A73078 A72979 a-Alanine, conf. I
197195.6869 0.2503 -4.9790 3 126.8718213 89502 303351520 341519 a-Alanine, conf. I
197200.4461 0.0977 -5.2024 3 159.5617219 89502 303362412 352411 a-Alanine, conf. I
197200.4461 0.0977 -5.2024 3 159.5617219 89502 303362413 352412 a-Alanine, conf. I
197221.6917 4.8339 -5.8375 3 930.2744591 89502 303982474 982375 a-Alanine, conf. I
197221.6918 4.8339 -5.8375 3 930.2744591 89502 303982574 982475 a-Alanine, conf. I
197234.5381 1.5193 -5.8959 3 462.8053387 89502 303643430 633529 a-Alanine, conf. I
197234.5381 1.5193 -5.8959 3 462.8053387 89502 303643431 633528 a-Alanine, conf. I
197265.5127 0.1850 -4.9629 3 124.8923213 89502 303351422 341421 a-Alanine, conf. I
197319.8699 0.3780 -5.2339 3 459.1557357 89502 303594316 594217 a-Alanine, conf. I
197319.8699 0.3780 -5.2339 3 459.1557357 89502 303594317 594218 a-Alanine, conf. I
197329.2098 2.4289 -5.6840 3 264.2784309 89502 303511834 501931 a-Alanine, conf. I
197350.4314 0.1047 -5.7167 3 67.8319165 89502 30327 720 26 620 a-Alanine, conf. I
197378.1840 3.5524 -5.6816 3 826.7387561 89502 303932172 932073 a-Alanine, conf. I
197378.1840 3.5524 -5.6816 3 826.7387561 89502 303932272 932173 a-Alanine, conf. I
197471.8562 0.1055 -5.1662 3 155.9440219 89502 303362313 352312 a-Alanine, conf. I
197471.8562 0.1055 -5.1662 3 155.9440219 89502 303362314 352313 a-Alanine, conf. I
197503.0473 0.3579 -5.2351 3 448.4221351 89502 303584315 584216 a-Alanine, conf. I
197503.0473 0.3579 -5.2351 3 448.4221351 89502 303584316 584217 a-Alanine, conf. I
197516.5188 1.5522 -5.9364 3 479.8887393 89502 303653530 643629 a-Alanine, conf. I
197516.5188 1.5522 -5.9364 3 479.8887393 89502 303653531 643628 a-Alanine, conf. I
197523.3517 8.5450 -6.2367 3 1172.4757657 89502 303A93079 A92980 a-Alanine, conf. I
197523.3667 8.5450 -6.2367 3 1172.4757657 89502 303A93179 A93080 a-Alanine, conf. I
197523.8135 0.0988 -5.7160 3 67.8334165 89502 30327 820 26 720 a-Alanine, conf. I
197531.0549 3.1282 -5.9230 3 1006.6205579 89502 303964650 964551 a-Alanine, conf. I
197531.0549 3.1282 -5.9230 3 1006.6205579 89502 303964651 964552 a-Alanine, conf. I
197537.3090 1.3178 -5.3511 3 490.7775453 89502 30375 966 75 867 a-Alanine, conf. I
197537.3090 1.3178 -5.3511 3 490.7775453 89502 303751066 75 967 a-Alanine, conf. I
197563.1033 0.0988 -4.8554 3 140.1607255 89502 30342 240 41 239 a-Alanine, conf. I
197563.1033 0.0988 -4.2514 3 140.1607255 89502 30342 240 41 339 a-Alanine, conf. I
197563.1033 0.0988 -4.2514 3 140.1607255 89502 30342 340 41 239 a-Alanine, conf. I
197563.1033 0.0988 -4.8554 3 140.1607255 89502 30342 340 41 339 a-Alanine, conf. I
197586.4283 1.1497 -5.4182 3 676.5026459 89502 303764432 764333 a-Alanine, conf. I
197586.4283 1.1497 -5.4182 3 676.5026459 89502 303764433 764334 a-Alanine, conf. I
197601.0375 1.7622 -5.5516 3 360.2257405 89502 30367 364 67 265 a-Alanine, conf. I
197601.0375 1.7622 -5.5516 3 360.2257405 89502 30367 464 67 365 a-Alanine, conf. I
197629.1465 1.3065 -5.5178 3 310.6654327 89502 303542431 532528 a-Alanine, conf. I
197664.8191 1.3178 -5.5176 3 310.6654327 89502 303542430 532529 a-Alanine, conf. I
197676.4993 0.3422 -5.2382 3 437.8734345 89502 303574314 574215 a-Alanine, conf. I
197676.4993 0.3422 -5.2382 3 437.8734345 89502 303574315 574216 a-Alanine, conf. I
197686.5348 0.0147 -4.5068 3 63.6111141 89502 3032316 8 2215 7 a-Alanine, conf. I
197686.5349 0.0147 -5.5886 3 63.6111141 89502 3032316 7 2215 7 a-Alanine, conf. I
197686.5356 0.0147 -5.5886 3 63.6111141 89502 3032316 8 2215 8 a-Alanine, conf. I
197686.5357 0.0147 -4.5068 3 63.6111141 89502 3032316 7 2215 8 a-Alanine, conf. I
197706.9710 0.3688 -6.2218 3 192.7371261 89502 303431826 431529 a-Alanine, conf. I
197719.8256 2.0482 -5.6651 3 848.1435525 89502 303874542 874443 a-Alanine, conf. I
197719.8256 2.0482 -5.6651 3 848.1435525 89502 303874543 874444 a-Alanine, conf. I
197743.6584 9.3630 -6.3161 3 1218.5832669 89502 303B13180 B13081 a-Alanine, conf. I
197743.6933 9.3629 -6.3161 3 1218.5832669 89502 303B13280 B13181 a-Alanine, conf. I
197772.5216 0.5161 -6.3262 3 169.1397243 89502 303401823 401526 a-Alanine, conf. I
197785.9949 0.1151 -5.1328 3 152.4944219 89502 303362214 352213 a-Alanine, conf. I
197785.9949 0.1151 -5.1328 3 152.4944219 89502 303362215 352214 a-Alanine, conf. I
197787.0873 1.4893 -5.3846 3 423.6752429 89502 30371 665 71 566 a-Alanine, conf. I
197787.0873 1.4893 -5.3846 3 423.6752429 89502 30371 765 71 666 a-Alanine, conf. I
197826.9096 1.5862 -5.9775 3 497.3102399 89502 303663630 653729 a-Alanine, conf. I
197826.9096 1.5862 -5.9775 3 497.3102399 89502 303663631 653728 a-Alanine, conf. I
197834.7268 0.1677 -4.7149 3 127.7988219 89502 303361125 351224 a-Alanine, conf. I
197840.5963 0.3310 -5.2437 3 427.5096339 89502 303564313 564214 a-Alanine, conf. I
197840.5963 0.3310 -5.2437 3 427.5096339 89502 303564314 564215 a-Alanine, conf. I
197852.2168 0.0746 -4.8877 3 138.0417243 89502 30340 535 39 534 a-Alanine, conf. I
197852.2168 0.0746 -4.3447 3 138.0417243 89502 30340 535 39 634 a-Alanine, conf. I
197852.2168 0.0746 -4.3447 3 138.0417243 89502 30340 635 39 534 a-Alanine, conf. I
197852.2168 0.0746 -4.8877 3 138.0417243 89502 30340 635 39 634 a-Alanine, conf. I
197861.8238 4.2604 -6.1544 3 1141.8303621 89502 303A34756 A34657 a-Alanine, conf. I
197861.8263 4.2603 -6.1544 3 1141.8303621 89502 303A34757 A34658 a-Alanine, conf. I
197867.9038 0.2412 -6.2972 3 169.8454249 89502 303411427 401525 a-Alanine, conf. I
197871.1973 0.1301 -5.5631 3 83.7059177 89502 303291118 281018 a-Alanine, conf. I
197934.2355 0.2338 -5.6342 3 76.0279171 89502 30328 919 27 819 a-Alanine, conf. I
197972.1468 1.0819 -5.4001 3 662.6120453 89502 303754431 754332 a-Alanine, conf. I
197972.1468 1.0819 -5.4001 3 662.6120453 89502 303754432 754333 a-Alanine, conf. I
197995.6972 0.3244 -5.2516 3 417.3303333 89502 303554312 554213 a-Alanine, conf. I
197995.6972 0.3244 -5.2516 3 417.3303333 89502 303554313 554214 a-Alanine, conf. I
198035.1192 0.1478 -4.9303 3 115.8585207 89502 303341222 331221 a-Alanine, conf. I
198065.1245 5.3538 -5.9017 3 971.8298603 89502 303A02575 A02476 a-Alanine, conf. I
198065.1246 5.3538 -5.9017 3 971.8298603 89502 303A02675 A02576 a-Alanine, conf. I
198116.6258 2.8694 -5.5962 3 765.8391543 89502 303901971 901872 a-Alanine, conf. I
198116.6258 2.8694 -5.5962 3 765.8391543 89502 303902071 901972 a-Alanine, conf. I
198142.1505 0.3223 -5.2625 3 407.3356327 89502 303544311 544212 a-Alanine, conf. I
198142.1505 0.3223 -5.2625 3 407.3356327 89502 303544312 544213 a-Alanine, conf. I
198152.8466 1.3521 -5.3681 3 541.8063471 89502 303781167 781068 a-Alanine, conf. I
198152.8466 1.3521 -5.3681 3 541.8063471 89502 303781267 781168 a-Alanine, conf. I
198153.1768 0.1263 -5.1020 3 149.2155219 89502 303362116 352115 a-Alanine, conf. I
198153.1775 0.1263 -5.1020 3 149.2155219 89502 303362115 352114 a-Alanine, conf. I
198162.1224 1.6212 -6.0192 3 515.0695405 89502 303673730 663829 a-Alanine, conf. I
198162.1224 1.6212 -6.0192 3 515.0695405 89502 303673731 663828 a-Alanine, conf. I
198173.5040 0.3530 -4.8307 3 108.3565201 89502 303331222 321121 a-Alanine, conf. I
198280.2945 0.3244 -5.2767 3 397.5252321 89502 303534310 534211 a-Alanine, conf. I
198280.2945 0.3244 -5.2767 3 397.5252321 89502 303534311 534212 a-Alanine, conf. I
198283.9459 2.9729 -5.8916 3 988.9839573 89502 303954649 954550 a-Alanine, conf. I
198283.9459 2.9729 -5.8916 3 988.9839573 89502 303954650 954551 a-Alanine, conf. I
198286.0230 0.0177 -4.5496 3 65.6052147 89502 303241510 2314 9 a-Alanine, conf. I
198286.0384 0.0177 -5.5949 3 65.6052147 89502 3032415 9 2314 9 a-Alanine, conf. I
198286.1146 0.0177 -5.5949 3 65.6052147 89502 303241510 231410 a-Alanine, conf. I
198286.1299 0.0177 -4.5496 3 65.6052147 89502 3032415 9 231410 a-Alanine, conf. I
198287.8440 1.9428 -5.6394 3 832.1959519 89502 303864541 864442 a-Alanine, conf. I
198287.8440 1.9428 -5.6394 3 832.1959519 89502 303864542 864443 a-Alanine, conf. I
198293.7665 0.0778 -4.4704 3 134.0129231 89502 30338 830 37 929 a-Alanine, conf. I
198294.0318 0.0778 -4.9155 3 134.0129231 89502 30338 930 37 929 a-Alanine, conf. I
198294.4120 0.0778 -4.9155 3 134.0129231 89502 30338 830 37 829 a-Alanine, conf. I
198294.6772 0.0778 -4.4704 3 134.0129231 89502 30338 930 37 829 a-Alanine, conf. I
198332.4462 1.3032 -5.4826 3 297.3388321 89502 303532331 522428 a-Alanine, conf. I
198341.0255 1.0170 -5.3828 3 648.9090447 89502 303744430 744331 a-Alanine, conf. I
198341.0255 1.0170 -5.3828 3 648.9090447 89502 303744431 744332 a-Alanine, conf. I
198410.4579 0.3304 -5.2948 3 387.8990315 89502 3035243 9 524210 a-Alanine, conf. I
198410.4579 0.3304 -5.2948 3 387.8990315 89502 303524310 524211 a-Alanine, conf. I
198419.2390 0.0953 -6.3079 3 61.3662153 89502 303251015 24 816 a-Alanine, conf. I
198437.4459 4.7523 -6.1925 3 256.0600303 89502 303501832 501535 a-Alanine, conf. I
198462.7666 0.2990 -4.7868 3 114.6831207 89502 303341223 331122 a-Alanine, conf. I
198466.1433 1.3413 -5.4819 3 297.3386321 89502 303532330 522429 a-Alanine, conf. I
198481.1811 3.9669 -5.7380 3 866.1783573 89502 303952273 952174 a-Alanine, conf. I
198481.1811 3.9669 -5.7380 3 866.1783573 89502 303952373 952274 a-Alanine, conf. I
198506.9067 1.8890 -5.6873 3 343.2713399 89502 30366 264 66 165 a-Alanine, conf. I
198506.9067 1.8890 -5.6873 3 343.2713399 89502 30366 364 66 265 a-Alanine, conf. I
198519.1135 1.6573 -6.0614 3 533.1662411 89502 303683830 673929 a-Alanine, conf. I
198519.1135 1.6573 -6.0614 3 533.1662411 89502 303683831 673928 a-Alanine, conf. I
198524.6220 0.1255 -4.8117 3 79.2942171 89502 303281217 271116 a-Alanine, conf. I
198532.9602 0.3396 -5.3175 3 378.4569309 89502 3035143 8 5142 9 a-Alanine, conf. I
198532.9602 0.3396 -5.3175 3 378.4569309 89502 3035143 9 514210 a-Alanine, conf. I
198536.4039 1.5274 -5.4046 3 594.8435489 89502 303811368 811269 a-Alanine, conf. I
198536.4039 1.5274 -5.4046 3 594.8435489 89502 303811468 811369 a-Alanine, conf. I
198538.9369 2.2997 -5.5207 3 706.8775525 89502 303871770 871671 a-Alanine, conf. I
198538.9369 2.2997 -5.5207 3 706.8775525 89502 303871870 871771 a-Alanine, conf. I
198587.6043 0.1392 -5.0733 3 146.1103219 89502 303362017 352016 a-Alanine, conf. I
198587.6164 0.1392 -5.0733 3 146.1103219 89502 303362016 352015 a-Alanine, conf. I
198648.1118 0.3516 -5.3459 3 369.1987303 89502 3035043 7 5042 8 a-Alanine, conf. I
198648.1118 0.3516 -5.3459 3 369.1987303 89502 3035043 8 5042 9 a-Alanine, conf. I
198671.4505 1.8481 -5.4563 3 649.8729507 89502 303841569 841470 a-Alanine, conf. I
198671.4505 1.8481 -5.4563 3 649.8729507 89502 303841669 841570 a-Alanine, conf. I
198693.6848 0.9548 -5.3664 3 635.3933441 89502 303734429 734330 a-Alanine, conf. I
198693.6848 0.9548 -5.3664 3 635.3933441 89502 303734430 734331 a-Alanine, conf. I
198707.7110 0.3674 -4.8620 3 102.1683195 89502 303321221 311120 a-Alanine, conf. I
198708.9166 0.0232 -4.6709 3 70.7990159 89502 303261314 251213 a-Alanine, conf. I
198721.4808 1.3789 -5.3575 3 471.9914447 89502 30374 866 74 767 a-Alanine, conf. I
198721.4808 1.3789 -5.3575 3 471.9914447 89502 30374 966 74 867 a-Alanine, conf. I
198724.8803 0.0210 -4.6016 3 67.9901153 89502 303251412 241311 a-Alanine, conf. I
198725.9882 0.0211 -5.5994 3 67.9901153 89502 303251411 241311 a-Alanine, conf. I
198730.4846 0.0211 -5.5994 3 67.9899153 89502 303251412 241312 a-Alanine, conf. I
198731.5926 0.0211 -4.6015 3 67.9899153 89502 303251411 241312 a-Alanine, conf. I
198754.3148 0.0236 -5.6023 3 70.7990159 89502 303261313 251213 a-Alanine, conf. I
198756.2150 0.3659 -5.3815 3 360.1243297 89502 3034943 6 4942 7 a-Alanine, conf. I
198756.2150 0.3659 -5.3815 3 360.1243297 89502 3034943 7 4942 8 a-Alanine, conf. I
198773.7225 4.0480 -6.1189 3 1122.8815615 89502 303A24755 A24656 a-Alanine, conf. I
198773.7235 4.0480 -6.1189 3 1122.8815615 89502 303A24756 A24657 a-Alanine, conf. I
198818.9386 5.9150 -5.9686 3 1014.2191615 89502 303A22676 A22577 a-Alanine, conf. I
198818.9388 5.9150 -5.9686 3 1014.2191615 89502 303A22776 A22677 a-Alanine, conf. I
198824.1034 1.6022 -5.4213 3 405.7975423 89502 30370 565 70 466 a-Alanine, conf. I
198824.1034 1.6022 -5.4213 3 405.7975423 89502 30370 665 70 566 a-Alanine, conf. I
198832.5310 1.8421 -5.6143 3 816.4376513 89502 303854540 854441 a-Alanine, conf. I
198832.5310 1.8421 -5.6143 3 816.4376513 89502 303854541 854442 a-Alanine, conf. I
198857.5637 0.3821 -5.4262 3 351.2336291 89502 3034843 5 4842 6 a-Alanine, conf. I
198857.5637 0.3821 -5.4262 3 351.2336291 89502 3034843 6 4842 7 a-Alanine, conf. I
198881.9427 0.9803 -6.2418 3 190.4181261 89502 303431727 431430 a-Alanine, conf. I
198895.2817 1.6943 -6.1042 3 551.6001417 89502 303693930 684029 a-Alanine, conf. I
198895.2817 1.6943 -6.1042 3 551.6001417 89502 303693931 684028 a-Alanine, conf. I
198897.0805 0.0253 -5.6018 3 70.7928159 89502 303261314 251214 a-Alanine, conf. I
198915.6021 0.6852 -6.3360 3 177.8278255 89502 303421428 411526 a-Alanine, conf. I
198942.4787 0.0262 -4.6701 3 70.7928159 89502 303261313 251214 a-Alanine, conf. I
198952.4440 0.3996 -5.4835 3 342.5264285 89502 3034743 4 4742 5 a-Alanine, conf. I
198952.4440 0.3996 -5.4835 3 342.5264285 89502 3034743 5 4742 6 a-Alanine, conf. I
198962.4671 0.1286 -4.8386 3 142.6397261 89502 30343 142 42 141 a-Alanine, conf. I
198962.4671 0.1286 -4.2188 3 142.6397261 89502 30343 142 42 241 a-Alanine, conf. I
198962.4671 0.1286 -4.2188 3 142.6397261 89502 30343 242 42 141 a-Alanine, conf. I
198962.4671 0.1286 -4.8386 3 142.6397261 89502 30343 242 42 241 a-Alanine, conf. I
199006.3321 2.8257 -5.8609 3 971.5381567 89502 303944648 944549 a-Alanine, conf. I
199006.3321 2.8257 -5.8609 3 971.5381567 89502 303944649 944550 a-Alanine, conf. I
199030.7181 0.8953 -5.3509 3 622.0646435 89502 303724428 724329 a-Alanine, conf. I
199030.7181 0.8953 -5.3509 3 622.0646435 89502 303724429 724330 a-Alanine, conf. I
199041.1345 0.4181 -5.5588 3 334.0026279 89502 3034643 3 4642 4 a-Alanine, conf. I
199041.1345 0.4181 -5.5588 3 334.0026279 89502 3034643 4 4642 5 a-Alanine, conf. I
199096.6540 0.0407 -5.6011 3 74.0352165 89502 303271216 261116 a-Alanine, conf. I
199109.5961 0.1539 -5.0464 3 143.1830219 89502 303361918 351917 a-Alanine, conf. I
199109.7814 0.1540 -5.0464 3 143.1830219 89502 303361917 351916 a-Alanine, conf. I
199123.9063 0.4374 -5.6623 3 325.6621273 89502 3034543 2 4542 3 a-Alanine, conf. I
199123.9063 0.4374 -5.6623 3 325.6621273 89502 3034543 3 4542 4 a-Alanine, conf. I
199179.2942 0.0525 -5.6209 3 46.2691135 89502 30322 914 21 615 a-Alanine, conf. I
199201.0236 0.4572 -5.8172 3 317.5048267 89502 3034443 1 4442 2 a-Alanine, conf. I
199201.0236 0.4572 -5.8172 3 317.5048267 89502 3034443 2 4442 3 a-Alanine, conf. I
199217.8858 0.0775 -5.7627 3 65.9388165 89502 30327 621 26 521 a-Alanine, conf. I
199232.6702 1.2908 -5.4484 3 284.3618315 89502 303522231 512328 a-Alanine, conf. I
199233.5819 0.0770 -5.7627 3 65.9389165 89502 30327 721 26 621 a-Alanine, conf. I
199256.7517 0.0776 -4.8715 3 141.1358249 89502 30341 437 40 436 a-Alanine, conf. I
199256.7517 0.0776 -4.3047 3 141.1358249 89502 30341 437 40 536 a-Alanine, conf. I
199256.7517 0.0776 -4.3047 3 141.1358249 89502 30341 537 40 436 a-Alanine, conf. I
199256.7517 0.0776 -4.8715 3 141.1358249 89502 30341 537 40 536 a-Alanine, conf. I
199272.7435 0.4773 -6.0973 3 309.5305261 89502 3034343 0 4342 1 a-Alanine, conf. I
199272.7435 0.4773 -6.0973 3 309.5305261 89502 3034343 1 4342 2 a-Alanine, conf. I
199288.3892 1.7322 -6.1476 3 570.3710423 89502 303704030 694129 a-Alanine, conf. I
199288.3892 1.7322 -6.1476 3 570.3710423 89502 303704031 694128 a-Alanine, conf. I
199352.6940 0.8384 -5.3363 3 608.9229429 89502 303714427 714328 a-Alanine, conf. I
199352.6940 0.8384 -5.3363 3 608.9229429 89502 303714428 714329 a-Alanine, conf. I
199354.8174 1.7458 -5.5899 3 800.8683507 89502 303844539 844440 a-Alanine, conf. I
199354.8174 1.7458 -5.5899 3 800.8683507 89502 303844540 844441 a-Alanine, conf. I
199370.6047 0.0840 -4.9335 3 127.7988219 89502 303361225 351224 a-Alanine, conf. I
199374.3502 2.0175 -5.9485 3 326.5428393 89502 30365 164 65 065 a-Alanine, conf. I
199374.3502 2.0175 -5.9485 3 326.5428393 89502 30365 264 65 165 a-Alanine, conf. I
199378.4449 3.2226 -5.6474 3 803.9889555 89502 303922072 921973 a-Alanine, conf. I
199378.4449 3.2226 -5.6474 3 803.9889555 89502 303922172 922073 a-Alanine, conf. I
199446.0794 1.3503 -5.3631 3 522.3388465 89502 303771067 77 968 a-Alanine, conf. I
199446.0794 1.3503 -5.3631 3 522.3388465 89502 303771167 771068 a-Alanine, conf. I
199468.4940 1.6527 -5.1860 3 171.1743249 89502 303411526 401625 a-Alanine, conf. I
199479.5649 6.5204 -6.0383 3 1057.4390627 89502 303A42777 A42678 a-Alanine, conf. I
199479.5654 6.5204 -6.0383 3 1057.4390627 89502 303A42877 A42778 a-Alanine, conf. I
199504.5789 4.4162 -5.7974 3 906.4602585 89502 303972374 972275 a-Alanine, conf. I
199504.5789 4.4162 -5.7974 3 906.4602585 89502 303972474 972375 a-Alanine, conf. I
199557.1886 5.2120 -6.3339 3 1245.8957651 89502 303A84860 A84761 a-Alanine, conf. I
199557.2017 5.2119 -6.3339 3 1245.8957651 89502 303A84861 A84762 a-Alanine, conf. I
199561.9307 0.3394 -4.8739 3 96.1425189 89502 303311220 301119 a-Alanine, conf. I
199604.2378 0.0789 -4.4150 3 137.7649237 89502 30339 732 38 831 a-Alanine, conf. I
199604.2436 0.0789 -4.9010 3 137.7649237 89502 30339 832 38 831 a-Alanine, conf. I
199604.2528 0.0789 -4.9010 3 137.7649237 89502 30339 732 38 731 a-Alanine, conf. I
199604.2586 0.0789 -4.4150 3 137.7649237 89502 30339 832 38 731 a-Alanine, conf. I
199648.4504 3.8480 -6.0841 3 1104.1247609 89502 303A14754 A14655 a-Alanine, conf. I
199648.4509 3.8480 -6.0841 3 1104.1247609 89502 303A14755 A14656 a-Alanine, conf. I
199660.1579 0.7841 -5.3227 3 595.9680423 89502 303704426 704327 a-Alanine, conf. I
199660.1579 0.7841 -5.3227 3 595.9680423 89502 303704427 704328 a-Alanine, conf. I
199696.4992 1.7711 -6.1915 3 589.4787429 89502 303714130 704229 a-Alanine, conf. I
199696.4992 1.7711 -6.1915 3 589.4787429 89502 303714131 704228 a-Alanine, conf. I
199699.5749 2.6859 -5.8308 3 954.2830561 89502 303934647 934548 a-Alanine, conf. I
199699.5749 2.6859 -5.8308 3 954.2830561 89502 303934648 934549 a-Alanine, conf. I
199703.4450 1.4099 -5.4461 3 284.3610315 89502 303522230 512329 a-Alanine, conf. I
199735.4880 0.6958 -5.4750 3 245.2371297 89502 303491832 481929 a-Alanine, conf. I
199749.2271 0.1711 -5.0210 3 140.4396219 89502 303361819 351818 a-Alanine, conf. I
199751.6003 0.1713 -5.0210 3 140.4397219 89502 303361818 351817 a-Alanine, conf. I
199817.5164 1.7240 -5.4762 3 388.1411417 89502 30369 465 69 366 a-Alanine, conf. I
199817.5164 1.7240 -5.4762 3 388.1411417 89502 30369 565 69 466 a-Alanine, conf. I
199833.8707 0.2256 -4.7387 3 121.1331213 89502 303351224 341123 a-Alanine, conf. I
199855.5827 1.6537 -5.5662 3 785.4879501 89502 303834538 834439 a-Alanine, conf. I
199855.5827 1.6537 -5.5662 3 785.4879501 89502 303834539 834440 a-Alanine, conf. I
199855.8170 1.4649 -5.3713 3 453.4217441 89502 30373 766 73 667 a-Alanine, conf. I
199855.8170 1.4649 -5.3713 3 453.4217441 89502 30373 866 73 767 a-Alanine, conf. I
199902.6313 2.5051 -6.2789 3 214.4734273 89502 303452025 451728 a-Alanine, conf. I
199919.5058 0.2011 -4.8411 3 84.6843177 89502 303291218 281117 a-Alanine, conf. I
199938.6091 1.4758 -5.5609 3 254.6297303 89502 303501833 491930 a-Alanine, conf. I
199947.3973 1.4481 -5.3912 3 574.7023483 89502 303801268 801169 a-Alanine, conf. I
199947.3973 1.4481 -5.3912 3 574.7023483 89502 303801368 801269 a-Alanine, conf. I
199947.6481 2.5937 -5.5662 3 743.7274537 89502 303891871 891772 a-Alanine, conf. I
199947.6481 2.5937 -5.5662 3 743.7274537 89502 303891971 891872 a-Alanine, conf. I
199953.6331 0.7323 -5.3100 3 583.1995417 89502 303694425 694326 a-Alanine, conf. I
199953.6331 0.7323 -5.3100 3 583.1995417 89502 303694426 694327 a-Alanine, conf. I
200043.1042 7.1734 -6.1106 3 1101.4865639 89502 303A62878 A62779 a-Alanine, conf. I
200043.1055 7.1734 -6.1106 3 1101.4865639 89502 303A62978 A62879 a-Alanine, conf. I
200117.9260 1.8108 -6.2361 3 608.9229435 89502 303724230 714329 a-Alanine, conf. I
200117.9260 1.8108 -6.2361 3 608.9229435 89502 303724231 714328 a-Alanine, conf. I
200121.8747 0.0767 -4.7767 3 74.0352165 89502 303271215 261116 a-Alanine, conf. I
200145.8019 0.2787 -4.8651 3 90.3062183 89502 303301219 291118 a-Alanine, conf. I
200210.1843 1.6939 -5.4364 3 629.0661501 89502 303831469 831370 a-Alanine, conf. I
200210.1843 1.6939 -5.4364 3 629.0661501 89502 303831569 831470 a-Alanine, conf. I
200216.9984 2.0810 -5.4954 3 685.4136519 89502 303861670 861571 a-Alanine, conf. I
200216.9984 2.0810 -5.4954 3 685.4136519 89502 303861770 861671 a-Alanine, conf. I
200231.8541 1.2396 -5.4168 3 271.7383309 89502 303512131 502228 a-Alanine, conf. I
200233.6231 0.6831 -5.2983 3 570.6175411 89502 303684424 684325 a-Alanine, conf. I
200233.6231 0.6831 -5.2983 3 570.6175411 89502 303684425 684326 a-Alanine, conf. I
200250.4318 0.0223 -5.5272 3 62.7218123 89502 3032020 0 1919 0 a-Alanine, conf. I
200250.4318 0.0223 -4.3637 3 62.7218123 89502 3032020 0 1919 1 a-Alanine, conf. I
200250.4318 0.0223 -4.3637 3 62.7218123 89502 3032020 1 1919 0 a-Alanine, conf. I
200250.4318 0.0223 -5.5272 3 62.7218123 89502 3032020 1 1919 1 a-Alanine, conf. I
200335.6588 1.5655 -5.5433 3 770.2961495 89502 303824537 824438 a-Alanine, conf. I
200335.6588 1.5655 -5.5433 3 770.2961495 89502 303824538 824439 a-Alanine, conf. I
200351.0094 0.1699 -4.8219 3 144.9327267 89502 30344 044 43 043 a-Alanine, conf. I
200351.0094 0.1699 -4.1881 3 144.9327267 89502 30344 044 43 143 a-Alanine, conf. I
200351.0094 0.1699 -4.1881 3 144.9327267 89502 30344 144 43 043 a-Alanine, conf. I
200351.0094 0.1699 -4.8219 3 144.9327267 89502 30344 144 43 143 a-Alanine, conf. I
200364.9440 2.5529 -5.8014 3 937.2181555 89502 303924646 924547 a-Alanine, conf. I
200364.9440 2.5529 -5.8014 3 937.2181555 89502 303924647 924548 a-Alanine, conf. I
200376.8152 0.5961 -6.2071 3 200.9208267 89502 303441827 441530 a-Alanine, conf. I
200387.4234 0.0800 -4.5871 3 132.3364225 89502 303371027 361126 a-Alanine, conf. I
200395.5807 0.3541 -4.9474 3 125.0187213 89502 303351421 341420 a-Alanine, conf. I
200406.7812 4.2180 -6.0069 3 413.4570381 89502 303632538 632241 a-Alanine, conf. I
200407.7027 0.0995 -5.6238 3 44.9646135 89502 30322 815 21 516 a-Alanine, conf. I
200445.6773 4.9020 -5.8596 3 947.5815597 89502 303992475 992376 a-Alanine, conf. I
200445.6773 4.9020 -5.8596 3 947.5815597 89502 303992575 992476 a-Alanine, conf. I
200481.5450 0.0788 -4.9226 3 132.3364225 89502 303371127 361126 a-Alanine, conf. I
200487.8396 3.6592 -6.0499 3 1085.5596603 89502 303A04753 A04654 a-Alanine, conf. I
200487.8398 3.6592 -6.0499 3 1085.5596603 89502 303A04754 A04655 a-Alanine, conf. I
200500.6124 0.6366 -5.2877 3 558.2216405 89502 303674423 674324 a-Alanine, conf. I
200500.6124 0.6366 -5.2877 3 558.2216405 89502 303674424 674325 a-Alanine, conf. I
200503.7719 0.7511 -5.3862 3 247.5852297 89502 303491931 482028 a-Alanine, conf. I
200505.2825 7.8777 -6.1856 3 1146.3583651 89502 303A82979 A82880 a-Alanine, conf. I
200505.2856 7.8777 -6.1856 3 1146.3583651 89502 303A83079 A82980 a-Alanine, conf. I
200546.1192 0.2826 -5.5862 3 82.6302177 89502 303291019 28 919 a-Alanine, conf. I
200548.6538 0.1911 -4.9968 3 137.8885219 89502 303361720 351719 a-Alanine, conf. I
200551.1944 1.8515 -6.2812 3 628.7036441 89502 303734330 724429 a-Alanine, conf. I
200551.1944 1.8515 -6.2812 3 628.7036441 89502 303734331 724428 a-Alanine, conf. I
200566.2317 3.6080 -5.7016 3 842.9862567 89502 303942173 942074 a-Alanine, conf. I
200566.2317 3.6080 -5.7016 3 842.9862567 89502 303942273 942174 a-Alanine, conf. I
200569.3669 4.9511 -6.2956 3 1226.0183645 89502 303A74859 A74760 a-Alanine, conf. I
200569.3728 4.9511 -6.2956 3 1226.0183645 89502 303A74860 A74761 a-Alanine, conf. I
200573.5853 0.1937 -4.9967 3 137.8890219 89502 303361719 351718 a-Alanine, conf. I
200587.1951 0.0786 -4.9221 3 132.3297225 89502 303371027 361026 a-Alanine, conf. I
200636.1531 0.0610 -5.8228 3 63.8902165 89502 30327 522 26 422 a-Alanine, conf. I
200637.1870 0.0610 -5.8228 3 63.8902165 89502 30327 622 26 522 a-Alanine, conf. I
200664.4450 0.0873 -4.8553 3 144.0378255 89502 30342 339 41 338 a-Alanine, conf. I
200664.4450 0.0873 -4.2681 3 144.0378255 89502 30342 339 41 438 a-Alanine, conf. I
200664.4450 0.0873 -4.2681 3 144.0378255 89502 30342 439 41 338 a-Alanine, conf. I
200664.4450 0.0873 -4.8553 3 144.0378255 89502 30342 439 41 438 a-Alanine, conf. I
200681.3167 0.0792 -4.5857 3 132.3297225 89502 303371127 361026 a-Alanine, conf. I
200684.8629 1.3856 -5.3630 3 503.0841459 89502 30376 967 76 868 a-Alanine, conf. I
200684.8629 1.3856 -5.3630 3 503.0841459 89502 303761067 76 968 a-Alanine, conf. I
200689.3689 0.0462 -5.5838 3 79.2942171 89502 303281216 271116 a-Alanine, conf. I
200692.3903 6.7342 -6.0838 3 334.4673345 89502 303572136 571839 a-Alanine, conf. I
200703.3172 0.0806 -4.9266 3 127.7031219 89502 303361125 351124 a-Alanine, conf. I
200755.0674 0.5928 -5.2782 3 546.0118399 89502 303664422 664323 a-Alanine, conf. I
200755.0674 0.5928 -5.2782 3 546.0118399 89502 303664423 664324 a-Alanine, conf. I
200763.5726 0.3304 -5.1500 3 66.3176159 89502 303261016 25 917 a-Alanine, conf. I
200769.3297 1.8514 -5.5598 3 370.7076411 89502 30368 365 68 266 a-Alanine, conf. I
200769.3297 1.8514 -5.5598 3 370.7076411 89502 30368 465 68 366 a-Alanine, conf. I
200795.8345 1.4809 -5.5210 3 755.2927489 89502 303814536 814437 a-Alanine, conf. I
200795.8345 1.4809 -5.5210 3 755.2927489 89502 303814537 814438 a-Alanine, conf. I
200809.6641 1.9290 -5.3590 3 238.5388291 89502 303481929 472028 a-Alanine, conf. I
200861.3968 8.6377 -6.2632 3 1192.0510663 89502 303B03080 B02981 a-Alanine, conf. I
200861.4040 8.6377 -6.2632 3 1192.0510663 89502 303B03180 B03081 a-Alanine, conf. I
200942.7682 1.5692 -5.3947 3 435.0699435 89502 30372 666 72 567 a-Alanine, conf. I
200942.7682 1.5692 -5.3947 3 435.0699435 89502 30372 766 72 667 a-Alanine, conf. I
200962.1758 1.0888 -5.3921 3 259.4750303 89502 303502031 492128 a-Alanine, conf. I
200969.5128 0.0792 -4.3671 3 141.3044243 89502 30340 634 39 733 a-Alanine, conf. I
200969.5129 0.0792 -4.8860 3 141.3044243 89502 30340 734 39 733 a-Alanine, conf. I
200969.5131 0.0792 -4.8860 3 141.3044243 89502 30340 634 39 633 a-Alanine, conf. I
200969.5132 0.0792 -4.3671 3 141.3044243 89502 30340 734 39 633 a-Alanine, conf. I
200989.3193 0.0153 -5.5388 3 63.4616129 89502 3032119 2 2018 2 a-Alanine, conf. I
200989.3193 0.0153 -4.3931 3 63.4616129 89502 3032119 2 2018 3 a-Alanine, conf. I
200989.3193 0.0153 -4.3931 3 63.4616129 89502 3032119 3 2018 2 a-Alanine, conf. I
200989.3193 0.0153 -5.5388 3 63.4616129 89502 3032119 3 2018 3 a-Alanine, conf. I
200995.0077 1.8930 -6.3270 3 648.8205447 89502 303744430 734529 a-Alanine, conf. I
200995.0077 1.8930 -6.3270 3 648.8205447 89502 303744431 734528 a-Alanine, conf. I
200997.4384 0.5518 -5.2700 3 533.9878393 89502 303654421 654322 a-Alanine, conf. I
200997.4384 0.5518 -5.2700 3 533.9878393 89502 303654422 654323 a-Alanine, conf. I
201003.6262 2.4263 -5.7727 3 920.3433549 89502 303914645 914546 a-Alanine, conf. I
201003.6262 2.4263 -5.7727 3 920.3433549 89502 303914646 914547 a-Alanine, conf. I
201080.8598 0.1837 -6.3219 3 222.1847225 89502 3033736 1 3636 0 a-Alanine, conf. I
201080.8598 0.1837 -6.3219 3 222.1847225 89502 3033736 2 3636 1 a-Alanine, conf. I
201106.2499 9.4583 -6.3434 3 1238.5610675 89502 303B23181 B23082 a-Alanine, conf. I
201106.2670 9.4582 -6.3434 3 1238.5610675 89502 303B23281 B23182 a-Alanine, conf. I
201157.4436 0.1673 -6.0150 3 216.6319225 89502 3033735 2 3635 1 a-Alanine, conf. I
201157.4436 0.1673 -6.0150 3 216.6319225 89502 3033735 3 3635 2 a-Alanine, conf. I
201208.5137 0.0686 -5.8976 3 38.2530129 89502 30321 516 20 417 a-Alanine, conf. I
201228.1596 0.5139 -5.2629 3 522.1494387 89502 303644420 644321 a-Alanine, conf. I
201228.1596 0.5139 -5.2629 3 522.1494387 89502 303644421 644322 a-Alanine, conf. I
201236.8588 1.3999 -5.4996 3 740.4773483 89502 303804535 804436 a-Alanine, conf. I
201236.8588 1.3999 -5.4996 3 740.4773483 89502 303804536 804437 a-Alanine, conf. I
201241.7150 0.1520 -5.8334 3 211.2381225 89502 3033734 3 3634 2 a-Alanine, conf. I
201241.7150 0.1520 -5.8334 3 211.2381225 89502 3033734 4 3634 3 a-Alanine, conf. I
201287.0078 2.9187 -5.6150 3 781.4298549 89502 303911972 911873 a-Alanine, conf. I
201287.0078 2.9187 -5.6150 3 781.4298549 89502 303912072 911973 a-Alanine, conf. I
201293.5803 3.4807 -6.0164 3 1067.1858597 89502 303994752 994653 a-Alanine, conf. I
201293.5804 3.4807 -6.0164 3 1067.1858597 89502 303994753 994654 a-Alanine, conf. I
201298.6611 1.4111 -5.3815 3 554.7700477 89502 303791168 791069 a-Alanine, conf. I
201298.6611 1.4111 -5.3815 3 554.7700477 89502 303791268 791169 a-Alanine, conf. I
201301.5573 5.4267 -5.9246 3 989.5395609 89502 303A12576 A12477 a-Alanine, conf. I
201301.5573 5.4267 -5.9246 3 989.5395609 89502 303A12676 A12577 a-Alanine, conf. I
201334.6264 0.1380 -5.7033 3 206.0035225 89502 3033733 4 3633 3 a-Alanine, conf. I
201334.6264 0.1380 -5.7033 3 206.0035225 89502 3033733 5 3633 4 a-Alanine, conf. I
201422.9651 0.0652 -5.8970 3 38.2530129 89502 30321 616 20 317 a-Alanine, conf. I
201437.2905 0.1254 -5.6016 3 200.9285225 89502 3033732 5 3632 4 a-Alanine, conf. I
201437.2905 0.1254 -5.6016 3 200.9285225 89502 3033732 6 3632 5 a-Alanine, conf. I
201447.6508 0.4791 -5.2572 3 510.4966381 89502 303634419 634320 a-Alanine, conf. I
201447.6508 0.4791 -5.2572 3 510.4966381 89502 303634420 634321 a-Alanine, conf. I
201466.3788 1.2281 -6.3052 3 180.0901255 89502 303421627 421330 a-Alanine, conf. I
201502.8758 0.2426 -4.9523 3 72.5728165 89502 303271116 261017 a-Alanine, conf. I
201517.2702 0.8634 -4.9484 3 145.1997231 89502 303381325 371424 a-Alanine, conf. I
201535.6801 0.2117 -4.9736 3 135.5411219 89502 303361621 351620 a-Alanine, conf. I
201540.2633 4.7062 -6.2581 3 1206.3334639 89502 303A64858 A64759 a-Alanine, conf. I
201540.2660 4.7062 -6.2581 3 1206.3334639 89502 303A64859 A64760 a-Alanine, conf. I
201551.0156 0.1146 -5.5181 3 196.0135225 89502 3033731 6 3631 5 a-Alanine, conf. I
201551.0156 0.1146 -5.5181 3 196.0135225 89502 3033731 7 3631 6 a-Alanine, conf. I
201552.1698 0.0812 -4.5071 3 136.6063231 89502 30338 929 371028 a-Alanine, conf. I
201555.9535 0.0812 -4.9109 3 136.6063231 89502 303381029 371028 a-Alanine, conf. I
201560.8981 0.0813 -4.9109 3 136.6060231 89502 30338 929 37 928 a-Alanine, conf. I
201564.6818 0.0813 -4.5070 3 136.6060231 89502 303381029 37 928 a-Alanine, conf. I
201616.7339 2.3056 -5.7447 3 903.6582543 89502 303904644 904545 a-Alanine, conf. I
201616.7339 2.3056 -5.7447 3 903.6582543 89502 303904645 904546 a-Alanine, conf. I
201656.3178 0.4477 -5.2530 3 499.0292375 89502 303624418 624319 a-Alanine, conf. I
201656.3178 0.4477 -5.2530 3 499.0292375 89502 303624419 624320 a-Alanine, conf. I
201659.4439 1.3221 -5.4788 3 725.8500477 89502 303794534 794435 a-Alanine, conf. I
201659.4439 1.3221 -5.4788 3 725.8500477 89502 303794535 794436 a-Alanine, conf. I
201677.3501 0.1059 -5.4471 3 191.2589225 89502 3033730 7 3630 6 a-Alanine, conf. I
201677.3501 0.1059 -5.4471 3 191.2589225 89502 3033730 8 3630 7 a-Alanine, conf. I
201677.7202 4.0267 -5.7589 3 882.8283579 89502 303962274 962175 a-Alanine, conf. I
201677.7202 4.0267 -5.7589 3 882.8283579 89502 303962374 962275 a-Alanine, conf. I
201681.4067 1.9821 -5.6950 3 353.4983405 89502 30367 265 67 166 a-Alanine, conf. I
201681.4067 1.9821 -5.6950 3 353.4983405 89502 30367 365 67 266 a-Alanine, conf. I
201683.0790 1.5781 -5.4194 3 608.4641495 89502 303821369 821270 a-Alanine, conf. I
201683.0790 1.5781 -5.4194 3 608.4641495 89502 303821469 821370 a-Alanine, conf. I
201696.2244 4.1871 -6.1519 3 284.2945315 89502 303522230 521933 a-Alanine, conf. I
201697.1913 2.3455 -5.5382 3 721.8115531 89502 303881771 881672 a-Alanine, conf. I
201697.1913 2.3455 -5.5382 3 721.8115531 89502 303881871 881772 a-Alanine, conf. I
201717.1186 0.0129 -5.5491 3 64.5538135 89502 3032218 4 2117 4 a-Alanine, conf. I
201717.1186 0.0129 -4.4244 3 64.5538135 89502 3032218 4 2117 5 a-Alanine, conf. I
201717.1186 0.0129 -4.4244 3 64.5538135 89502 3032218 5 2117 4 a-Alanine, conf. I
201717.1186 0.0129 -5.5491 3 64.5538135 89502 3032218 5 2117 5 a-Alanine, conf. I
201733.5035 0.1314 -5.6227 3 76.0873171 89502 303281019 27 919 a-Alanine, conf. I
201743.9201 0.2307 -4.9727 3 135.5465219 89502 303361620 351619 a-Alanine, conf. I
201770.0213 1.5792 -5.4091 3 271.7351309 89502 303512130 502229 a-Alanine, conf. I
201787.9749 0.1000 -5.5974 3 77.6100171 89502 303281118 271018 a-Alanine, conf. I
201799.2423 0.0558 -5.9015 3 61.6977165 89502 30327 423 26 323 a-Alanine, conf. I
201799.2921 0.0558 -5.9015 3 61.6977165 89502 30327 523 26 423 a-Alanine, conf. I
201818.1403 0.0998 -5.3855 3 186.6654225 89502 3033729 8 3629 7 a-Alanine, conf. I
201818.1403 0.0998 -5.3855 3 186.6654225 89502 3033729 9 3629 8 a-Alanine, conf. I
201822.0676 1.8940 -5.4724 3 664.1503513 89502 303851570 851471 a-Alanine, conf. I
201822.0676 1.8940 -5.4724 3 664.1503513 89502 303851670 851571 a-Alanine, conf. I
201854.5532 0.4201 -5.2503 3 487.7470369 89502 303614417 614318 a-Alanine, conf. I
201854.5532 0.4201 -5.2503 3 487.7470369 89502 303614418 614319 a-Alanine, conf. I
201857.1311 8.2483 -6.2075 3 401.2837381 89502 303632143 622240 a-Alanine, conf. I
201872.0015 1.4522 -5.3690 3 484.0438453 89502 30375 867 75 768 a-Alanine, conf. I
201872.0015 1.4522 -5.3690 3 484.0438453 89502 30375 967 75 868 a-Alanine, conf. I
201960.8686 0.1242 -4.9297 3 129.6512219 89502 303361324 351323 a-Alanine, conf. I
201963.6483 4.3326 -5.8549 3 306.7587333 89502 303551937 542034 a-Alanine, conf. I
201975.6063 0.0964 -5.3310 3 182.2334225 89502 3033728 9 3628 8 a-Alanine, conf. I
201975.6063 0.0964 -5.3310 3 182.2334225 89502 303372810 3628 9 a-Alanine, conf. I
201984.5951 1.6863 -5.4309 3 416.9377429 89502 30371 566 71 467 a-Alanine, conf. I
201984.5951 1.6863 -5.4309 3 416.9377429 89502 30371 666 71 567 a-Alanine, conf. I
202042.7374 0.3965 -5.2492 3 476.6498363 89502 303604416 604317 a-Alanine, conf. I
202042.7374 0.3965 -5.2492 3 476.6498363 89502 303604417 604318 a-Alanine, conf. I
202047.3972 0.4188 -4.8009 3 136.3879225 89502 303371225 361324 a-Alanine, conf. I
202064.2684 1.2476 -5.4589 3 711.4103471 89502 303784533 784434 a-Alanine, conf. I
202064.2684 1.2476 -5.4589 3 711.4103471 89502 303784534 784435 a-Alanine, conf. I
202067.2369 3.3116 -5.9835 3 1049.0031591 89502 303984751 984652 a-Alanine, conf. I
202067.2369 3.3116 -5.9835 3 1049.0031591 89502 303984752 984653 a-Alanine, conf. I
202068.5902 0.1071 -4.8391 3 146.7507261 89502 30343 241 42 240 a-Alanine, conf. I
202068.5902 0.1071 -4.2343 3 146.7507261 89502 30343 241 42 340 a-Alanine, conf. I
202068.5902 0.1071 -4.2343 3 146.7507261 89502 30343 341 42 240 a-Alanine, conf. I
202068.5902 0.1071 -4.8391 3 146.7507261 89502 30343 341 42 340 a-Alanine, conf. I
202069.0552 5.9927 -5.9924 3 1032.3312621 89502 303A32677 A32578 a-Alanine, conf. I
202069.0553 5.9927 -5.9924 3 1032.3312621 89502 303A32777 A32678 a-Alanine, conf. I
202152.4434 0.0961 -5.2824 3 177.9639225 89502 303372710 3627 9 a-Alanine, conf. I
202152.4434 0.0961 -5.2824 3 177.9639225 89502 303372711 362710 a-Alanine, conf. I
202205.3113 2.1903 -5.7173 3 887.1625537 89502 303894643 894544 a-Alanine, conf. I
202205.3113 2.1903 -5.7173 3 887.1625537 89502 303894644 894545 a-Alanine, conf. I
202221.2391 0.3772 -5.2501 3 465.7376357 89502 303594415 594316 a-Alanine, conf. I
202221.2391 0.3772 -5.2501 3 465.7376357 89502 303594416 594317 a-Alanine, conf. I
202239.1951 0.1589 -4.6918 3 127.7031219 89502 303361225 351124 a-Alanine, conf. I
202351.9589 0.0986 -5.2384 3 173.8576225 89502 303372611 362610 a-Alanine, conf. I
202351.9589 0.0986 -5.2384 3 173.8576225 89502 303372612 362611 a-Alanine, conf. I
202361.9662 0.0799 -4.8706 3 144.6414249 89502 30341 536 40 535 a-Alanine, conf. I
202361.9662 0.0799 -4.3246 3 144.6414249 89502 30341 536 40 635 a-Alanine, conf. I
202361.9662 0.0799 -4.3246 3 144.6414249 89502 30341 636 40 535 a-Alanine, conf. I
202361.9662 0.0799 -4.8706 3 144.6414249 89502 30341 636 40 635 a-Alanine, conf. I
202390.4158 0.3624 -5.2529 3 455.0101351 89502 303584414 584315 a-Alanine, conf. I
202390.4158 0.3624 -5.2529 3 455.0101351 89502 303584415 584316 a-Alanine, conf. I
202419.8023 0.0143 -5.5580 3 66.0040141 89502 3032317 6 2216 6 a-Alanine, conf. I
202419.8023 0.0143 -4.4585 3 66.0040141 89502 3032317 6 2216 7 a-Alanine, conf. I
202419.8023 0.0143 -4.4585 3 66.0040141 89502 3032317 7 2216 6 a-Alanine, conf. I
202419.8023 0.0143 -5.5580 3 66.0040141 89502 3032317 7 2216 7 a-Alanine, conf. I
202451.9793 1.1760 -5.4397 3 697.1582465 89502 303774532 774433 a-Alanine, conf. I
202451.9793 1.1760 -5.4397 3 697.1582465 89502 303774533 774434 a-Alanine, conf. I
202472.0226 4.4758 -6.2212 3 1186.8407633 89502 303A54857 A54758 a-Alanine, conf. I
202472.0238 4.4758 -6.2212 3 1186.8407633 89502 303A54858 A54759 a-Alanine, conf. I
202522.0917 0.7914 -6.2928 3 179.2447255 89502 303421527 411625 a-Alanine, conf. I
202550.4915 5.3169 -6.0596 3 363.9132357 89502 303592435 592138 a-Alanine, conf. I
202550.6144 0.3522 -5.2580 3 444.4672345 89502 303574413 574314 a-Alanine, conf. I
202550.6144 0.3522 -5.2580 3 444.4672345 89502 303574414 574315 a-Alanine, conf. I
202555.0851 3.2753 -5.6670 3 819.9822561 89502 303932073 931974 a-Alanine, conf. I
202555.0851 3.2753 -5.6670 3 819.9822561 89502 303932173 932074 a-Alanine, conf. I
202555.4857 2.1145 -5.9558 3 336.5147399 89502 30366 165 66 066 a-Alanine, conf. I
202555.4857 2.1145 -5.9558 3 336.5147399 89502 30366 265 66 166 a-Alanine, conf. I
202563.7180 0.2183 -4.9521 3 133.4075219 89502 303361522 351521 a-Alanine, conf. I
202578.2634 0.1038 -5.1984 3 169.9157225 89502 303372512 362511 a-Alanine, conf. I
202578.2634 0.1038 -5.1984 3 169.9157225 89502 303372513 362512 a-Alanine, conf. I
202593.4352 1.4152 -5.3760 3 535.0485471 89502 303781068 78 969 a-Alanine, conf. I
202593.4352 1.4152 -5.3760 3 535.0485471 89502 303781168 781069 a-Alanine, conf. I
202613.0596 4.1122 -6.2510 3 235.1394291 89502 303481731 481434 a-Alanine, conf. I
202667.3926 0.0904 -4.9133 3 122.4643213 89502 303351223 341222 a-Alanine, conf. I
202673.3466 5.4661 -6.0005 3 450.6061399 89502 303662541 662244 a-Alanine, conf. I
202679.1152 0.1521 -5.6557 3 74.4148171 89502 30328 820 27 720 a-Alanine, conf. I
202702.1718 0.3468 -5.2657 3 434.1088339 89502 303564412 564313 a-Alanine, conf. I
202702.1718 0.3468 -5.2657 3 434.1088339 89502 303564413 564314 a-Alanine, conf. I
202710.4745 4.4804 -5.8192 3 923.5127591 89502 303982375 982276 a-Alanine, conf. I
202710.4745 4.4804 -5.8192 3 923.5127591 89502 303982475 982376 a-Alanine, conf. I
202744.7338 6.6028 -6.0630 3 1075.9535633 89502 303A52778 A52679 a-Alanine, conf. I
202744.7340 6.6028 -6.0630 3 1075.9535633 89502 303A52878 A52779 a-Alanine, conf. I
202770.3412 2.0802 -5.6906 3 870.8561531 89502 303884642 884543 a-Alanine, conf. I
202770.3412 2.0802 -5.6906 3 870.8561531 89502 303884643 884544 a-Alanine, conf. I
202783.5065 0.0633 -6.0089 3 59.3685165 89502 30327 324 26 224 a-Alanine, conf. I
202783.5082 0.0633 -6.0089 3 59.3685165 89502 30327 424 26 324 a-Alanine, conf. I
202785.2202 0.0833 -4.4446 3 140.6273237 89502 30339 831 38 930 a-Alanine, conf. I
202785.3280 0.0833 -4.8978 3 140.6273237 89502 30339 931 38 930 a-Alanine, conf. I
202785.4854 0.0833 -4.8978 3 140.6273237 89502 30339 831 38 830 a-Alanine, conf. I
202785.5932 0.0833 -4.4446 3 140.6273237 89502 30339 931 38 830 a-Alanine, conf. I
202810.2610 3.1512 -5.9513 3 1031.0110585 89502 303974750 974651 a-Alanine, conf. I
202810.2611 3.1512 -5.9513 3 1031.0110585 89502 303974751 974652 a-Alanine, conf. I
202823.1949 1.1074 -5.4214 3 683.0933459 89502 303764531 764432 a-Alanine, conf. I
202823.1949 1.1074 -5.4214 3 683.0933459 89502 303764532 764433 a-Alanine, conf. I
202836.5413 0.1113 -5.1617 3 166.1396225 89502 303372413 362412 a-Alanine, conf. I
202836.5413 0.1113 -5.1617 3 166.1396225 89502 303372414 362413 a-Alanine, conf. I
202845.4153 0.3459 -5.2762 3 423.9348333 89502 303554411 554312 a-Alanine, conf. I
202845.4153 0.3459 -5.2762 3 423.9348333 89502 303554412 554313 a-Alanine, conf. I
202864.7129 1.9710 -5.2306 3 188.9511261 89502 303431627 421726 a-Alanine, conf. I
202927.7037 6.4095 -6.0378 3 352.4485357 89502 303592040 582137 a-Alanine, conf. I
202942.7598 1.5206 -5.7136 3 408.9054369 89502 303613032 603129 a-Alanine, conf. I
202942.7729 1.5206 -5.7136 3 408.9054369 89502 303613031 603130 a-Alanine, conf. I
202962.1452 1.4970 -5.6752 3 393.3456363 89502 303602932 593029 a-Alanine, conf. I
202962.2070 1.4970 -5.6752 3 393.3456363 89502 303602931 593030 a-Alanine, conf. I
202980.6632 0.3492 -5.2901 3 413.9449327 89502 303544410 544311 a-Alanine, conf. I
202980.6632 0.3492 -5.2901 3 413.9449327 89502 303544411 544312 a-Alanine, conf. I
202983.3905 1.8122 -5.4854 3 399.0267423 89502 30370 466 70 367 a-Alanine, conf. I
202983.3905 1.8122 -5.4854 3 399.0267423 89502 30370 566 70 467 a-Alanine, conf. I
202993.3671 1.5469 -5.7525 3 424.8060375 89502 303623132 613229 a-Alanine, conf. I
202993.3698 1.5469 -5.7525 3 424.8060375 89502 303623131 613230 a-Alanine, conf. I
202999.2577 0.1859 -4.9358 3 131.4724219 89502 303361423 351422 a-Alanine, conf. I
203010.0678 1.5430 -5.3824 3 465.2198447 89502 30374 767 74 668 a-Alanine, conf. I
203010.0678 1.5430 -5.3824 3 465.2198447 89502 30374 867 74 768 a-Alanine, conf. I
203065.5748 1.4767 -5.6373 3 378.1272357 89502 303592832 582929 a-Alanine, conf. I
203065.8570 1.4768 -5.6373 3 378.1272357 89502 303592831 582930 a-Alanine, conf. I
203071.7737 0.0172 -4.4968 3 67.8206147 89502 3032416 9 2315 8 a-Alanine, conf. I
203071.7742 0.0172 -5.5653 3 67.8206147 89502 3032416 8 2315 8 a-Alanine, conf. I
203071.7773 0.0172 -5.5653 3 67.8206147 89502 3032416 9 2315 9 a-Alanine, conf. I
203071.7779 0.0172 -4.4968 3 67.8206147 89502 3032416 8 2315 9 a-Alanine, conf. I
203093.9171 1.5039 -5.4056 3 588.0690489 89502 303811269 811170 a-Alanine, conf. I
203093.9171 1.5039 -5.4056 3 588.0690489 89502 303811369 811270 a-Alanine, conf. I
203102.8920 1.5754 -5.7919 3 441.0466381 89502 303633232 623329 a-Alanine, conf. I
203102.8925 1.5754 -5.7919 3 441.0466381 89502 303633231 623330 a-Alanine, conf. I
203108.2249 0.3563 -5.3078 3 404.1391321 89502 3035344 9 534310 a-Alanine, conf. I
203108.2249 0.3563 -5.3078 3 404.1391321 89502 303534410 534311 a-Alanine, conf. I
203110.3630 2.6415 -5.5846 3 759.0641543 89502 303901872 901773 a-Alanine, conf. I
203110.3630 2.6415 -5.5846 3 759.0641543 89502 303901972 901873 a-Alanine, conf. I
203112.0738 0.1234 -4.6600 3 134.4491225 89502 303371126 361225 a-Alanine, conf. I
203133.4485 0.1208 -5.1279 3 162.5309225 89502 303372314 362313 a-Alanine, conf. I
203133.4485 0.1208 -5.1279 3 162.5309225 89502 303372315 362314 a-Alanine, conf. I
203178.5065 1.0416 -5.4038 3 669.2157453 89502 303754530 754431 a-Alanine, conf. I
203178.5065 1.0416 -5.4038 3 669.2157453 89502 303754531 754432 a-Alanine, conf. I
203193.0504 1.5069 -5.9962 3 466.0415405 89502 303672641 672344 a-Alanine, conf. I
203228.4014 0.3666 -5.3303 3 394.5173315 89502 3035244 8 5243 9 a-Alanine, conf. I
203228.4014 0.3666 -5.3303 3 394.5173315 89502 3035244 9 524310 a-Alanine, conf. I
203262.4769 1.6059 -5.8318 3 457.6268387 89502 303643332 633429 a-Alanine, conf. I
203262.4770 1.6059 -5.8318 3 457.6268387 89502 303643331 633430 a-Alanine, conf. I
203271.1098 1.4604 -5.5998 3 363.2513351 89502 303582732 572829 a-Alanine, conf. I
203272.3477 1.4610 -5.5998 3 363.2513351 89502 303582731 572830 a-Alanine, conf. I
203312.7503 1.9749 -5.6646 3 854.7387525 89502 303874641 874542 a-Alanine, conf. I
203312.7503 1.9749 -5.6646 3 854.7387525 89502 303874642 874543 a-Alanine, conf. I
203324.8473 7.2604 -6.1361 3 1120.4034645 89502 303A72879 A72780 a-Alanine, conf. I
203324.8479 7.2604 -6.1361 3 1120.4034645 89502 303A72979 A72880 a-Alanine, conf. I
203341.4858 0.3797 -5.3584 3 385.0793309 89502 3035144 7 5143 8 a-Alanine, conf. I
203341.4858 0.3797 -5.3584 3 385.0793309 89502 3035144 8 5143 9 a-Alanine, conf. I
203358.6117 1.7427 -5.4521 3 643.0896507 89502 303841470 841371 a-Alanine, conf. I
203358.6117 1.7427 -5.4521 3 643.0896507 89502 303841570 841471 a-Alanine, conf. I
203366.6117 4.2587 -6.1849 3 1167.5398627 89502 303A44856 A44757 a-Alanine, conf. I
203366.6122 4.2587 -6.1849 3 1167.5398627 89502 303A44857 A44758 a-Alanine, conf. I
203370.6006 2.1271 -5.5125 3 700.0937525 89502 303871671 871572 a-Alanine, conf. I
203370.6006 2.1271 -5.5125 3 700.0937525 89502 303871771 871672 a-Alanine, conf. I
203374.3293 0.1273 -5.6530 3 74.4221171 89502 30328 920 27 820 a-Alanine, conf. I
203417.2795 0.3389 -5.3435 3 60.2938153 89502 30325 916 24 817 a-Alanine, conf. I
203447.7634 0.3951 -5.3936 3 375.8249303 89502 3035044 6 5043 7 a-Alanine, conf. I
203447.7634 0.3951 -5.3936 3 375.8249303 89502 3035044 7 5043 8 a-Alanine, conf. I
203464.6731 0.1387 -4.8230 3 149.2764267 89502 30344 143 43 142 a-Alanine, conf. I
203464.6731 0.1387 -4.2026 3 149.2764267 89502 30344 143 43 242 a-Alanine, conf. I
203464.6731 0.1387 -4.2026 3 149.2764267 89502 30344 243 43 142 a-Alanine, conf. I
203464.6731 0.1387 -4.8230 3 149.2764267 89502 30344 243 43 242 a-Alanine, conf. I
203464.9399 1.6380 -5.8722 3 474.5461393 89502 303653431 643530 a-Alanine, conf. I
203464.9399 1.6380 -5.8722 3 474.5461393 89502 303653432 643529 a-Alanine, conf. I
203477.7167 0.1320 -5.0966 3 159.0919225 89502 303372216 362215 a-Alanine, conf. I
203477.7168 0.1320 -5.0966 3 159.0919225 89502 303372215 362214 a-Alanine, conf. I
203518.4806 0.9785 -5.3871 3 655.5249447 89502 303744529 744430 a-Alanine, conf. I
203518.4806 0.9785 -5.3871 3 655.5249447 89502 303744530 744431 a-Alanine, conf. I
203524.0038 2.9989 -5.9198 3 1013.2094579 89502 303964749 964650 a-Alanine, conf. I
203524.0038 2.9989 -5.9198 3 1013.2094579 89502 303964750 964651 a-Alanine, conf. I
203547.5121 0.4122 -5.4381 3 366.7541297 89502 3034944 5 4943 6 a-Alanine, conf. I
203547.5121 0.4122 -5.4381 3 366.7541297 89502 3034944 6 4943 7 a-Alanine, conf. I
203589.8677 0.0257 -4.6742 3 75.6502165 89502 303271315 261214 a-Alanine, conf. I
203602.0459 1.4491 -5.5628 3 348.7188345 89502 303572632 562729 a-Alanine, conf. I
203607.2528 1.4512 -5.5627 3 348.7188345 89502 303572631 562730 a-Alanine, conf. I
203609.7847 7.1932 -6.0221 3 423.0306387 89502 303642440 642143 a-Alanine, conf. I
203624.1956 0.0205 -4.5415 3 70.0161153 89502 303251511 241410 a-Alanine, conf. I
203624.2542 0.0205 -5.5710 3 70.0161153 89502 303251510 241410 a-Alanine, conf. I
203624.5266 0.0205 -5.5710 3 70.0161153 89502 303251511 241411 a-Alanine, conf. I
203624.5852 0.0205 -4.5415 3 70.0161153 89502 303251510 241411 a-Alanine, conf. I
203632.6923 0.0798 -6.1679 3 56.9078165 89502 30327 225 26 125 a-Alanine, conf. I
203632.6924 0.0798 -6.1679 3 56.9078165 89502 30327 325 26 225 a-Alanine, conf. I
203641.0027 0.4307 -5.4950 3 357.8668291 89502 3034844 4 4843 5 a-Alanine, conf. I
203641.0027 0.4307 -5.4950 3 357.8668291 89502 3034844 5 4843 6 a-Alanine, conf. I
203661.8714 4.9710 -5.8823 3 965.0364603 89502 303A02476 A02377 a-Alanine, conf. I
203661.8714 4.9710 -5.8823 3 965.0364603 89502 303A02576 A02477 a-Alanine, conf. I
203704.3853 1.6715 -5.9132 3 491.8040399 89502 303663531 653630 a-Alanine, conf. I
203704.3853 1.6715 -5.9132 3 491.8040399 89502 303663532 653629 a-Alanine, conf. I
203707.4592 0.0257 -5.5781 3 75.6502165 89502 303271314 261214 a-Alanine, conf. I
203728.4987 0.4502 -5.5700 3 349.1627285 89502 3034744 3 4743 4 a-Alanine, conf. I
203728.4987 0.4502 -5.5700 3 349.1627285 89502 3034744 4 4743 5 a-Alanine, conf. I
203749.8142 3.6644 -5.7222 3 859.3819573 89502 303952174 952075 a-Alanine, conf. I
203749.8142 3.6644 -5.7222 3 859.3819573 89502 303952274 952175 a-Alanine, conf. I
203765.8487 0.0836 -4.8551 3 147.7823255 89502 30342 438 41 437 a-Alanine, conf. I
203765.8487 0.0836 -4.2861 3 147.7823255 89502 30342 438 41 537 a-Alanine, conf. I
203765.8487 0.0836 -4.2861 3 147.7823255 89502 30342 538 41 437 a-Alanine, conf. I
203765.8487 0.0836 -4.8551 3 147.7823255 89502 30342 538 41 537 a-Alanine, conf. I
203805.3007 7.9691 -6.2119 3 1165.6774657 89502 303A92980 A92881 a-Alanine, conf. I
203805.3022 7.9691 -6.2119 3 1165.6774657 89502 303A93080 A92981 a-Alanine, conf. I
203810.2574 0.4704 -5.6732 3 340.6419279 89502 3034644 2 4643 3 a-Alanine, conf. I
203810.2574 0.4704 -5.6732 3 340.6419279 89502 3034644 3 4643 4 a-Alanine, conf. I
203833.4138 1.8742 -5.6393 3 838.8100519 89502 303864640 864541 a-Alanine, conf. I
203833.4138 1.8742 -5.6393 3 838.8100519 89502 303864641 864542 a-Alanine, conf. I
203834.6736 1.4564 -5.3755 3 515.5396465 89502 30377 968 77 869 a-Alanine, conf. I
203834.6736 1.4564 -5.3755 3 515.5396465 89502 303771068 77 969 a-Alanine, conf. I
203843.6601 0.9181 -5.3713 3 642.0210441 89502 303734528 734429 a-Alanine, conf. I
203843.6601 0.9181 -5.3713 3 642.0210441 89502 303734529 734430 a-Alanine, conf. I
203849.3766 0.3145 -4.9463 3 133.4496219 89502 303361521 351520 a-Alanine, conf. I
203881.1125 0.1449 -5.0675 3 155.8252225 89502 303372117 362116 a-Alanine, conf. I
203881.1148 0.1449 -5.0675 3 155.8252225 89502 303372116 362115 a-Alanine, conf. I
203886.5292 0.4912 -5.8278 3 332.3042273 89502 3034544 1 4543 2 a-Alanine, conf. I
203886.5292 0.4912 -5.8278 3 332.3042273 89502 3034544 2 4543 3 a-Alanine, conf. I
203902.7785 0.0853 -4.9152 3 134.4491225 89502 303371226 361225 a-Alanine, conf. I
203941.0976 1.9436 -5.5685 3 381.3384417 89502 30369 366 69 267 a-Alanine, conf. I
203941.0976 1.9436 -5.5685 3 381.3384417 89502 30369 466 69 367 a-Alanine, conf. I
203957.5583 0.5123 -6.1076 3 324.1494267 89502 3034444 0 4443 1 a-Alanine, conf. I
203957.5583 0.5123 -6.1076 3 324.1494267 89502 3034444 1 4443 2 a-Alanine, conf. I
203966.7443 0.0240 -4.5970 3 72.6112159 89502 303261413 251312 a-Alanine, conf. I
203970.2042 0.0240 -5.5750 3 72.6112159 89502 303261412 251312 a-Alanine, conf. I
203975.9208 1.7064 -5.9547 3 509.4002405 89502 303673631 663730 a-Alanine, conf. I
203975.9208 1.7064 -5.9547 3 509.4002405 89502 303673632 663729 a-Alanine, conf. I
203983.2231 0.0242 -5.5750 3 72.6107159 89502 303261413 251313 a-Alanine, conf. I
203986.6829 0.0242 -4.5970 3 72.6107159 89502 303261412 251313 a-Alanine, conf. I
204002.5948 0.3017 -4.9122 3 123.5951213 89502 303351322 341321 a-Alanine, conf. I
204043.5813 0.0295 -5.5769 3 75.6351165 89502 303271315 261215 a-Alanine, conf. I
204087.6160 1.4433 -5.5262 3 334.5312339 89502 303562532 552629 a-Alanine, conf. I
204101.4307 1.6519 -5.4053 3 446.6136441 89502 30373 667 73 568 a-Alanine, conf. I
204101.4307 1.6519 -5.4053 3 446.6136441 89502 30373 767 73 668 a-Alanine, conf. I
204107.4570 0.0843 -4.3921 3 144.4230243 89502 30340 733 39 832 a-Alanine, conf. I
204107.4593 0.0843 -4.8838 3 144.4230243 89502 30340 833 39 832 a-Alanine, conf. I
204107.4628 0.0843 -4.8838 3 144.4230243 89502 30340 733 39 732 a-Alanine, conf. I
204107.4651 0.0843 -4.3921 3 144.4230243 89502 30340 833 39 732 a-Alanine, conf. I
204108.5309 1.4508 -5.5261 3 334.5312339 89502 303562531 552630 a-Alanine, conf. I
204154.5667 0.8603 -5.3564 3 628.7036435 89502 303724527 724428 a-Alanine, conf. I
204154.5667 0.8603 -5.3564 3 628.7036435 89502 303724528 724429 a-Alanine, conf. I
204161.1727 0.0327 -4.6724 3 75.6351165 89502 303271314 261215 a-Alanine, conf. I
204164.1777 0.0464 -5.5586 3 84.6843177 89502 303291217 281117 a-Alanine, conf. I
204181.6016 8.7330 -6.2903 3 1211.7724669 89502 303B13081 B12982 a-Alanine, conf. I
204181.6050 8.7329 -6.2903 3 1211.7724669 89502 303B13181 B13082 a-Alanine, conf. I
204209.7254 2.8540 -5.8889 3 995.5979573 89502 303954748 954649 a-Alanine, conf. I
204209.7254 2.8540 -5.8889 3 995.5979573 89502 303954749 954650 a-Alanine, conf. I
204225.8407 4.0537 -6.1493 3 1148.4303621 89502 303A34855 A34756 a-Alanine, conf. I
204225.8410 4.0537 -6.1493 3 1148.4303621 89502 303A34856 A34757 a-Alanine, conf. I
204275.4471 1.7425 -5.9967 3 527.3344411 89502 303683731 673830 a-Alanine, conf. I
204275.4471 1.7425 -5.9967 3 527.3344411 89502 303683732 673829 a-Alanine, conf. I
204333.1601 1.7776 -5.6146 3 823.0699513 89502 303854639 854540 a-Alanine, conf. I
204333.1601 1.7776 -5.6146 3 823.0699513 89502 303854640 854541 a-Alanine, conf. I
204360.0394 0.1595 -5.0403 3 152.7344225 89502 303372018 362017 a-Alanine, conf. I
204360.0765 0.1595 -5.0403 3 152.7344225 89502 303372017 362016 a-Alanine, conf. I
204446.1241 1.4728 -5.3954 3 567.8827483 89502 303801169 801070 a-Alanine, conf. I
204446.1241 1.4728 -5.3954 3 567.8827483 89502 303801269 801170 a-Alanine, conf. I
204451.7015 0.8052 -5.3424 3 615.5726429 89502 303714526 714427 a-Alanine, conf. I
204451.7015 0.8052 -5.3424 3 615.5726429 89502 303714527 714428 a-Alanine, conf. I
204454.7377 2.9691 -5.6343 3 797.1690555 89502 303921973 921874 a-Alanine, conf. I
204454.7377 2.9691 -5.6343 3 797.1690555 89502 303922073 921974 a-Alanine, conf. I
204529.0805 5.5005 -5.9482 3 1007.3967615 89502 303A22577 A22478 a-Alanine, conf. I
204529.0805 5.5005 -5.9482 3 1007.3967615 89502 303A22677 A22578 a-Alanine, conf. I
204531.3065 0.0565 -5.5754 3 79.0939171 89502 303281217 271117 a-Alanine, conf. I
204540.4492 0.2261 -5.5377 3 89.3197183 89502 303301119 291019 a-Alanine, conf. I
204573.7610 0.9212 -6.2028 3 209.2555273 89502 303451828 451531 a-Alanine, conf. I
204599.4998 1.7797 -6.0394 3 545.6062417 89502 303693831 683930 a-Alanine, conf. I
204599.4998 1.7797 -6.0394 3 545.6062417 89502 303693832 683929 a-Alanine, conf. I
204647.9517 0.0830 -4.9115 3 134.3979225 89502 303371126 361125 a-Alanine, conf. I
204660.0792 2.9615 -6.0012 3 478.9808411 89502 303682642 682345 a-Alanine, conf. I
204735.5468 0.7527 -5.3294 3 602.6279423 89502 303704525 704426 a-Alanine, conf. I
204735.5468 0.7527 -5.3294 3 602.6279423 89502 303704526 704427 a-Alanine, conf. I
204760.2626 1.4417 -5.4901 3 320.6902333 89502 303552432 542529 a-Alanine, conf. I
204812.7742 1.6851 -5.5907 3 807.5181507 89502 303844638 844539 a-Alanine, conf. I
204812.7742 1.6851 -5.5907 3 807.5181507 89502 303844639 844540 a-Alanine, conf. I
204830.6461 1.6312 -5.4346 3 622.2337501 89502 303831370 831271 a-Alanine, conf. I
204830.6461 1.6312 -5.4346 3 622.2337501 89502 303831470 831371 a-Alanine, conf. I
204840.0766 1.4675 -5.4897 3 320.6901333 89502 303552431 542530 a-Alanine, conf. I
204849.4986 0.1822 -4.8069 3 151.6157273 89502 30345 045 44 044 a-Alanine, conf. I
204849.4986 0.1822 -4.1729 3 151.6157273 89502 30345 045 44 144 a-Alanine, conf. I
204849.4986 0.1822 -4.1729 3 151.6157273 89502 30345 145 44 044 a-Alanine, conf. I
204849.4986 0.1822 -4.8069 3 151.6157273 89502 30345 145 44 144 a-Alanine, conf. I
204854.2392 2.3926 -5.5562 3 736.8942537 89502 303891772 891673 a-Alanine, conf. I
204854.2392 2.3926 -5.5562 3 736.8942537 89502 303891872 891773 a-Alanine, conf. I
204859.5258 2.0782 -5.7032 3 363.8742411 89502 30368 266 68 167 a-Alanine, conf. I
204859.5258 2.0782 -5.7032 3 363.8742411 89502 30368 366 68 267 a-Alanine, conf. I
204868.6043 2.7160 -5.8587 3 978.1763567 89502 303944747 944648 a-Alanine, conf. I
204868.6043 2.7160 -5.8587 3 978.1763567 89502 303944748 944649 a-Alanine, conf. I
204868.9815 4.0873 -5.7804 3 899.6265585 89502 303972275 972176 a-Alanine, conf. I
204868.9815 4.0873 -5.7804 3 899.6265585 89502 303972375 972276 a-Alanine, conf. I
204877.6618 0.0847 -4.5525 3 139.0237231 89502 303381028 371127 a-Alanine, conf. I
204921.0835 0.0844 -4.9051 3 139.0237231 89502 303381128 371127 a-Alanine, conf. I
204938.2860 0.1763 -5.0146 3 149.8246225 89502 303371919 361918 a-Alanine, conf. I
204938.8084 0.1764 -5.0146 3 149.8246225 89502 303371918 361917 a-Alanine, conf. I
204945.1283 1.8179 -6.0826 3 564.2153423 89502 303703931 694030 a-Alanine, conf. I
204945.1283 1.8179 -6.0826 3 564.2153423 89502 303703932 694029 a-Alanine, conf. I
204971.7834 0.0844 -4.9049 3 139.0206231 89502 303381028 371027 a-Alanine, conf. I
204972.6396 1.9419 -5.4891 3 678.5765519 89502 303861571 861472 a-Alanine, conf. I
204972.6396 1.9419 -5.4891 3 678.5765519 89502 303861671 861572 a-Alanine, conf. I
205006.5672 0.7029 -5.3174 3 589.8693417 89502 303694524 694425 a-Alanine, conf. I
205006.5672 0.7029 -5.3174 3 589.8693417 89502 303694525 694426 a-Alanine, conf. I
205015.2051 0.0845 -4.5519 3 139.0206231 89502 303381128 371027 a-Alanine, conf. I
205025.0808 1.5283 -5.3810 3 496.2452459 89502 30376 868 76 769 a-Alanine, conf. I
205025.0808 1.5283 -5.3810 3 496.2452459 89502 30376 968 76 869 a-Alanine, conf. I
205051.3807 3.8598 -6.1144 3 1129.5119615 89502 303A24854 A24755 a-Alanine, conf. I
205051.3808 3.8598 -6.1144 3 1129.5119615 89502 303A24855 A24756 a-Alanine, conf. I
205135.0186 0.1105 -5.7317 3 43.4542135 89502 30322 616 21 517 a-Alanine, conf. I
205148.2788 1.7733 -5.4410 3 428.2269435 89502 30372 567 72 468 a-Alanine, conf. I
205148.2788 1.7733 -5.4410 3 428.2269435 89502 30372 667 72 568 a-Alanine, conf. I
205171.5659 0.0944 -4.8395 3 150.7313261 89502 30343 340 42 339 a-Alanine, conf. I
205171.5659 0.0944 -4.2509 3 150.7313261 89502 30343 340 42 439 a-Alanine, conf. I
205171.5659 0.0944 -4.2509 3 150.7313261 89502 30343 440 42 339 a-Alanine, conf. I
205171.5659 0.0944 -4.8395 3 150.7313261 89502 30343 440 42 439 a-Alanine, conf. I
205214.5593 0.1075 -5.6906 3 72.5840171 89502 30328 721 27 621 a-Alanine, conf. I
205265.2107 0.6558 -5.3065 3 577.2966411 89502 303684523 684424 a-Alanine, conf. I
205265.2107 0.6558 -5.3065 3 577.2966411 89502 303684524 684425 a-Alanine, conf. I
205273.0018 1.5963 -5.5675 3 792.1544501 89502 303834637 834538 a-Alanine, conf. I
205273.0018 1.5963 -5.5675 3 792.1544501 89502 303834638 834539 a-Alanine, conf. I
205295.1402 0.1043 -5.6903 3 72.5846171 89502 30328 821 27 721 a-Alanine, conf. I
205309.0403 6.0715 -6.0168 3 1050.5906627 89502 303A42678 A42579 a-Alanine, conf. I
205309.0404 6.0715 -6.0168 3 1050.5906627 89502 303A42778 A42679 a-Alanine, conf. I
205309.8021 1.8571 -6.1264 3 583.1616429 89502 303714031 704130 a-Alanine, conf. I
205309.8021 1.8571 -6.1264 3 583.1616429 89502 303714032 704129 a-Alanine, conf. I
205438.6564 0.1158 -4.6484 3 134.3979225 89502 303371226 361125 a-Alanine, conf. I
205477.5083 0.0846 -4.3465 3 148.0080249 89502 30341 635 40 734 a-Alanine, conf. I
205477.5083 0.0846 -4.8693 3 148.0080249 89502 30341 735 40 734 a-Alanine, conf. I
205477.5084 0.0846 -4.8693 3 148.0080249 89502 30341 635 40 634 a-Alanine, conf. I
205477.5084 0.0846 -4.3465 3 148.0080249 89502 30341 735 40 634 a-Alanine, conf. I
205501.7452 2.5844 -5.8291 3 960.9442561 89502 303934746 934647 a-Alanine, conf. I
205501.7452 2.5844 -5.8291 3 960.9442561 89502 303934747 934648 a-Alanine, conf. I
205511.9095 0.6115 -5.2967 3 564.9096405 89502 303674522 674423 a-Alanine, conf. I
205511.9095 0.6115 -5.2967 3 564.9096405 89502 303674523 674424 a-Alanine, conf. I
205525.1322 1.9386 -5.3678 3 259.4634303 89502 303502030 492129 a-Alanine, conf. I
205557.8653 6.4686 -6.1375 3 310.6067333 89502 303552035 551738 a-Alanine, conf. I
205614.5566 1.2877 -6.2512 3 198.4884267 89502 303441728 441431 a-Alanine, conf. I
205640.4150 1.4370 -5.4548 3 307.1980327 89502 303542332 532429 a-Alanine, conf. I
205650.9845 0.1960 -4.9902 3 147.1026225 89502 303371820 361819 a-Alanine, conf. I
205657.0989 0.1967 -4.9902 3 147.1027225 89502 303371819 361818 a-Alanine, conf. I
205682.9680 0.0199 -5.5075 3 66.3517129 89502 3032120 1 2019 1 a-Alanine, conf. I
205682.9680 0.0199 -4.3522 3 66.3517129 89502 3032120 1 2019 2 a-Alanine, conf. I
205682.9680 0.0199 -4.3522 3 66.3517129 89502 3032120 2 2019 1 a-Alanine, conf. I
205682.9680 0.0199 -5.5075 3 66.3517129 89502 3032120 2 2019 2 a-Alanine, conf. I
205691.3365 1.8972 -6.1707 3 602.4448435 89502 303724131 714230 a-Alanine, conf. I
205691.3365 1.8972 -6.1707 3 602.4448435 89502 303724132 714229 a-Alanine, conf. I
205714.5518 1.5111 -5.5450 3 776.9786495 89502 303824636 824537 a-Alanine, conf. I
205714.5518 1.5111 -5.5450 3 776.9786495 89502 303824637 824538 a-Alanine, conf. I
205728.4204 3.3289 -5.6872 3 836.1238567 89502 303942074 941975 a-Alanine, conf. I
205728.4204 3.3289 -5.6872 3 836.1238567 89502 303942174 942075 a-Alanine, conf. I
205740.3654 2.2145 -5.9635 3 346.6355405 89502 30367 166 67 067 a-Alanine, conf. I
205740.3654 2.2145 -5.9635 3 346.6355405 89502 30367 266 67 167 a-Alanine, conf. I
205742.8164 1.4830 -5.3895 3 547.9071477 89502 303791069 79 970 a-Alanine, conf. I
205742.8164 1.4830 -5.3895 3 547.9071477 89502 303791169 791070 a-Alanine, conf. I
205747.0814 0.5703 -5.2881 3 552.7082399 89502 303664521 664422 a-Alanine, conf. I
205747.0814 0.5703 -5.2881 3 552.7082399 89502 303664522 664423 a-Alanine, conf. I
205844.7787 3.6761 -6.0801 3 1110.7843609 89502 303A14853 A14754 a-Alanine, conf. I
205844.7788 3.6761 -6.0801 3 1110.7843609 89502 303A14854 A14755 a-Alanine, conf. I
205910.2116 4.5455 -5.8415 3 940.7131597 89502 303992376 992277 a-Alanine, conf. I
205910.2116 4.5455 -5.8415 3 940.7131597 89502 303992476 992377 a-Alanine, conf. I
205918.0631 2.2294 -5.2661 3 207.6047273 89502 303451728 441827 a-Alanine, conf. I
205927.7967 1.5202 -5.4535 3 307.1975327 89502 303542331 532430 a-Alanine, conf. I
205971.1302 0.5321 -5.2808 3 540.6923393 89502 303654520 654421 a-Alanine, conf. I
205971.1302 0.5321 -5.2808 3 540.6923393 89502 303654521 654422 a-Alanine, conf. I
205998.4319 6.6866 -6.0882 3 1094.6151639 89502 303A62779 A62680 a-Alanine, conf. I
205998.4320 6.6866 -6.0882 3 1094.6151639 89502 303A62879 A62780 a-Alanine, conf. I
206008.3205 3.4046 -6.3072 3 215.0669279 89502 303461630 461333 a-Alanine, conf. I
206026.0870 0.0870 -4.4792 3 143.3295237 89502 30339 930 381029 a-Alanine, conf. I
206027.7039 0.0870 -4.8938 3 143.3295237 89502 303391030 381029 a-Alanine, conf. I
206029.8707 0.0870 -4.8938 3 143.3293237 89502 30339 930 38 929 a-Alanine, conf. I
206031.4877 0.0870 -4.4792 3 143.3293237 89502 303391030 38 929 a-Alanine, conf. I
206074.2770 0.5134 -5.3901 3 256.8356303 89502 303501932 492029 a-Alanine, conf. I
206087.8352 1.9383 -6.2157 3 622.0646441 89502 303734231 724330 a-Alanine, conf. I
206087.8352 1.9383 -6.2157 3 622.0646441 89502 303734232 724329 a-Alanine, conf. I
206109.4270 0.0935 -5.7294 3 43.4537135 89502 30322 716 21 417 a-Alanine, conf. I
206110.1852 2.4587 -5.8002 3 943.9016555 89502 303924745 924646 a-Alanine, conf. I
206110.1852 2.4587 -5.8002 3 943.9016555 89502 303924746 924647 a-Alanine, conf. I
206138.0997 1.4293 -5.5232 3 761.9905489 89502 303814635 814536 a-Alanine, conf. I
206138.0997 1.4293 -5.5232 3 761.9905489 89502 303814636 814537 a-Alanine, conf. I
206152.6408 1.9033 -5.4951 3 410.0612429 89502 30371 467 71 368 a-Alanine, conf. I
206152.6408 1.9033 -5.4951 3 410.0612429 89502 30371 567 71 468 a-Alanine, conf. I
206167.1422 1.6241 -5.3940 3 477.1668453 89502 30375 768 75 669 a-Alanine, conf. I
206167.1422 1.6241 -5.3940 3 477.1668453 89502 30375 868 75 769 a-Alanine, conf. I
206184.4465 0.4974 -5.2747 3 528.8617387 89502 303644519 644420 a-Alanine, conf. I
206184.4465 0.4974 -5.2747 3 528.8617387 89502 303644520 644421 a-Alanine, conf. I
206241.7982 1.5624 -5.4204 3 601.5846495 89502 303821270 821171 a-Alanine, conf. I
206241.7982 1.5624 -5.4204 3 601.5846495 89502 303821370 821271 a-Alanine, conf. I
206271.3416 2.6904 -5.6035 3 774.5494549 89502 303911873 911774 a-Alanine, conf. I
206271.3416 2.6904 -5.6035 3 774.5494549 89502 303911973 911874 a-Alanine, conf. I
206387.4089 0.4663 -5.2702 3 517.2162381 89502 303634518 634419 a-Alanine, conf. I
206387.4089 0.4663 -5.2702 3 517.2162381 89502 303634519 634420 a-Alanine, conf. I
206417.6799 0.0147 -5.5183 3 67.2794135 89502 3032219 3 2118 3 a-Alanine, conf. I
206417.6799 0.0147 -4.3817 3 67.2794135 89502 3032219 3 2118 4 a-Alanine, conf. I
206417.6799 0.0147 -4.3817 3 67.2794135 89502 3032219 4 2118 3 a-Alanine, conf. I
206417.6799 0.0147 -5.5183 3 67.2794135 89502 3032219 4 2118 4 a-Alanine, conf. I
206465.0618 0.4911 -6.2325 3 203.1716267 89502 303441926 441629 a-Alanine, conf. I
206479.5309 0.2720 -5.4874 3 54.4788147 89502 30324 816 23 717 a-Alanine, conf. I
206497.6424 1.9803 -6.2613 3 642.0210447 89502 303744331 734430 a-Alanine, conf. I
206497.6424 1.9803 -6.2613 3 642.0210447 89502 303744332 734429 a-Alanine, conf. I
206507.5781 1.7938 -5.4683 3 657.2619513 89502 303851471 851372 a-Alanine, conf. I
206507.5781 1.7938 -5.4683 3 657.2619513 89502 303851571 851472 a-Alanine, conf. I
206519.0852 3.1956 -6.2386 3 243.4115291 89502 303482127 481830 a-Alanine, conf. I
206523.7253 2.1748 -5.5301 3 714.9226531 89502 303881672 881573 a-Alanine, conf. I
206523.7253 2.1748 -5.5301 3 714.9226531 89502 303881772 881673 a-Alanine, conf. I
206524.8865 4.4785 -6.0227 3 453.1985399 89502 303662640 662343 a-Alanine, conf. I
206537.2910 0.2170 -6.2884 3 66.1250159 89502 303261016 25 817 a-Alanine, conf. I
206542.1355 0.2185 -4.9668 3 144.5781225 89502 303371721 361720 a-Alanine, conf. I
206544.2896 1.3508 -5.5022 3 747.1899483 89502 303804634 804535 a-Alanine, conf. I
206544.2896 1.3508 -5.5022 3 747.1899483 89502 303804635 804536 a-Alanine, conf. I
206566.6811 0.3881 -6.2037 3 211.6047273 89502 303451927 451630 a-Alanine, conf. I
206572.8997 0.1159 -4.8239 3 153.4910267 89502 30344 242 43 241 a-Alanine, conf. I
206572.8997 0.1159 -4.2181 3 153.4910267 89502 30344 242 43 341 a-Alanine, conf. I
206572.8997 0.1159 -4.2181 3 153.4910267 89502 30344 342 43 241 a-Alanine, conf. I
206572.8997 0.1159 -4.8239 3 153.4910267 89502 30344 342 43 341 a-Alanine, conf. I
206575.8273 0.1821 -6.0173 3 228.8920231 89502 3033836 2 3736 1 a-Alanine, conf. I
206575.8273 0.1821 -6.0173 3 228.8920231 89502 3033836 3 3736 2 a-Alanine, conf. I
206580.3840 0.4391 -5.2671 3 505.7557375 89502 303624517 624418 a-Alanine, conf. I
206580.3840 0.4391 -5.2671 3 505.7557375 89502 303624518 624419 a-Alanine, conf. I
206593.6469 7.3491 -6.1622 3 1139.4671651 89502 303A82880 A82781 a-Alanine, conf. I
206593.6472 7.3491 -6.1622 3 1139.4671651 89502 303A82980 A82881 a-Alanine, conf. I
206600.4890 0.2248 -4.9666 3 144.5795225 89502 303371720 361719 a-Alanine, conf. I
206607.4715 3.5019 -6.0465 3 1092.2471603 89502 303A04852 A04753 a-Alanine, conf. I
206607.4715 3.5019 -6.0465 3 1092.2471603 89502 303A04853 A04754 a-Alanine, conf. I
206611.5688 0.0756 -4.9015 3 129.2245219 89502 303361224 351223 a-Alanine, conf. I
206659.1479 0.1659 -5.8352 3 223.3418231 89502 3033835 3 3735 2 a-Alanine, conf. I
206659.1479 0.1659 -5.8352 3 223.3418231 89502 3033835 4 3735 3 a-Alanine, conf. I
206686.3971 1.4068 -5.4212 3 294.0581321 89502 303532232 522329 a-Alanine, conf. I
206694.9009 2.3386 -5.7719 3 927.0480549 89502 303914744 914645 a-Alanine, conf. I
206694.9009 2.3386 -5.7719 3 927.0480549 89502 303914745 914646 a-Alanine, conf. I
206696.0534 0.1374 -4.8001 3 79.0939171 89502 303281216 271117 a-Alanine, conf. I
206750.8031 0.1510 -5.7047 3 217.9508231 89502 3033834 4 3734 3 a-Alanine, conf. I
206750.8031 0.1510 -5.7047 3 217.9508231 89502 3033834 5 3734 4 a-Alanine, conf. I
206763.7276 0.4161 -5.2658 3 494.4801369 89502 303614516 614417 a-Alanine, conf. I
206763.7276 0.4161 -5.2658 3 494.4801369 89502 303614517 614418 a-Alanine, conf. I
206837.9463 8.1038 -6.0593 3 396.2657375 89502 303622339 622042 a-Alanine, conf. I
206851.8310 0.1375 -5.6025 3 212.7193231 89502 3033833 5 3733 4 a-Alanine, conf. I
206851.8310 0.1375 -5.6025 3 212.7193231 89502 3033833 6 3733 5 a-Alanine, conf. I
206870.9509 5.0408 -5.9055 3 982.6390609 89502 303A12477 A12378 a-Alanine, conf. I
206870.9509 5.0408 -5.9055 3 982.6390609 89502 303A12577 A12478 a-Alanine, conf. I
206871.0721 0.0854 -4.8546 3 151.3914255 89502 30342 537 41 536 a-Alanine, conf. I
206871.0721 0.0854 -4.3057 3 151.3914255 89502 30342 537 41 636 a-Alanine, conf. I
206871.0721 0.0854 -4.3057 3 151.3914255 89502 30342 637 41 536 a-Alanine, conf. I
206871.0721 0.0854 -4.8546 3 151.3914255 89502 30342 637 41 636 a-Alanine, conf. I
206879.2132 0.1147 -4.9096 3 136.3879225 89502 303371325 361324 a-Alanine, conf. I
206919.3057 2.0233 -6.3074 3 662.3136453 89502 303754431 744530 a-Alanine, conf. I
206919.3057 2.0233 -6.3074 3 662.3136453 89502 303754432 744529 a-Alanine, conf. I
206929.3867 3.7217 -5.7433 3 875.9259579 89502 303962175 962076 a-Alanine, conf. I
206929.3867 3.7217 -5.7433 3 875.9259579 89502 303962275 962176 a-Alanine, conf. I
206933.7367 1.2753 -5.4820 3 732.5766477 89502 303794633 794534 a-Alanine, conf. I
206933.7367 1.2753 -5.4820 3 732.5766477 89502 303794634 794535 a-Alanine, conf. I
206934.8373 0.0817 -5.7377 3 70.5827171 89502 30328 622 27 522 a-Alanine, conf. I
206937.7849 0.3976 -5.2663 3 483.3892363 89502 303604515 604416 a-Alanine, conf. I
206937.7849 0.3976 -5.2663 3 483.3892363 89502 303604516 604417 a-Alanine, conf. I
206941.5324 0.0814 -5.7377 3 70.5828171 89502 30328 722 27 622 a-Alanine, conf. I
206963.4460 0.1258 -5.5185 3 207.6477231 89502 3033832 6 3732 5 a-Alanine, conf. I
206963.4460 0.1258 -5.5185 3 207.6477231 89502 3033832 7 3732 6 a-Alanine, conf. I
206975.0579 0.2286 -5.6056 3 81.1755177 89502 30329 920 28 820 a-Alanine, conf. I
206986.8407 1.5300 -5.3885 3 528.1442471 89502 30378 969 78 870 a-Alanine, conf. I
206986.8407 1.5300 -5.3885 3 528.1442471 89502 303781069 78 970 a-Alanine, conf. I
207084.4105 4.6985 -6.2902 3 1232.7086645 89502 303A74958 A74859 a-Alanine, conf. I
207084.4111 4.6985 -6.2902 3 1232.7086645 89502 303A74959 A74860 a-Alanine, conf. I
207087.0780 0.1163 -5.4470 3 202.7365231 89502 3033831 7 3731 6 a-Alanine, conf. I
207087.0780 0.1163 -5.4470 3 202.7365231 89502 3033831 8 3731 7 a-Alanine, conf. I
207090.7505 8.0624 -6.2388 3 1185.1432663 89502 303B02981 B02882 a-Alanine, conf. I
207090.7511 8.0624 -6.2388 3 1185.1432663 89502 303B03081 B02982 a-Alanine, conf. I
207102.8910 0.3838 -5.2688 3 472.4830357 89502 303594514 594415 a-Alanine, conf. I
207102.8910 0.3838 -5.2688 3 472.4830357 89502 303594515 594416 a-Alanine, conf. I
207116.4029 2.0388 -5.5777 3 392.1181423 89502 30370 367 70 268 a-Alanine, conf. I
207116.4029 2.0388 -5.5777 3 392.1181423 89502 30370 467 70 368 a-Alanine, conf. I
207123.6727 0.0896 -5.5496 3 50.2968141 89502 30323 915 22 616 a-Alanine, conf. I
207136.2858 0.0143 -5.5279 3 68.5617141 89502 3032318 5 2217 5 a-Alanine, conf. I
207136.2858 0.0143 -4.4135 3 68.5617141 89502 3032318 5 2217 6 a-Alanine, conf. I
207136.2858 0.0143 -4.4135 3 68.5617141 89502 3032318 6 2217 5 a-Alanine, conf. I
207136.2858 0.0143 -5.5279 3 68.5617141 89502 3032318 6 2217 6 a-Alanine, conf. I
207139.6066 0.0499 -6.0963 3 36.5442129 89502 30321 417 20 318 a-Alanine, conf. I
207155.2700 0.0497 -6.0963 3 36.5442129 89502 30321 517 20 218 a-Alanine, conf. I
207216.4558 0.0882 -6.2774 3 39.3387123 89502 303201011 19 712 a-Alanine, conf. I
207224.4215 0.1093 -5.3849 3 197.9862231 89502 3033830 8 3730 7 a-Alanine, conf. I
207224.4215 0.1093 -5.3849 3 197.9862231 89502 3033830 9 3730 8 a-Alanine, conf. I
207237.1958 0.1795 -5.6017 3 48.8649141 89502 30323 716 22 617 a-Alanine, conf. I
207256.8127 2.2238 -5.7443 3 910.3834543 89502 303904743 904644 a-Alanine, conf. I
207256.8127 2.2238 -5.7443 3 910.3834543 89502 303904744 904645 a-Alanine, conf. I
207259.3716 0.3749 -5.2736 3 461.7611351 89502 303584513 584414 a-Alanine, conf. I
207259.3716 0.3749 -5.2736 3 461.7611351 89502 303584514 584415 a-Alanine, conf. I
207263.1496 1.7375 -5.4164 3 458.3062447 89502 30374 668 74 569 a-Alanine, conf. I
207263.1496 1.7375 -5.4164 3 458.3062447 89502 30374 768 74 669 a-Alanine, conf. I
207279.0677 0.0890 -4.4205 3 147.3915243 89502 30340 832 39 931 a-Alanine, conf. I
207279.1111 0.0890 -4.8811 3 147.3915243 89502 30340 932 39 931 a-Alanine, conf. I
207279.1755 0.0890 -4.8811 3 147.3915243 89502 30340 832 39 831 a-Alanine, conf. I
207279.2189 0.0890 -4.4205 3 147.3915243 89502 30340 932 39 831 a-Alanine, conf. I
207307.0295 1.2029 -5.4625 3 718.1504471 89502 303784632 784533 a-Alanine, conf. I
207307.0295 1.2029 -5.4625 3 718.1504471 89502 303784633 784534 a-Alanine, conf. I
207340.7964 3.3363 -6.0135 3 1073.9002597 89502 303994851 994752 a-Alanine, conf. I
207340.7964 3.3363 -6.0135 3 1073.9002597 89502 303994852 994753 a-Alanine, conf. I
207377.5013 0.1051 -5.3300 3 193.3973231 89502 3033829 9 3729 8 a-Alanine, conf. I
207377.5013 0.1051 -5.3300 3 193.3973231 89502 303382910 3729 9 a-Alanine, conf. I
207407.5434 0.3706 -5.2809 3 451.2236345 89502 303574512 574413 a-Alanine, conf. I
207407.5434 0.3706 -5.2809 3 451.2236345 89502 303574513 574414 a-Alanine, conf. I
207485.4373 8.8305 -6.3180 3 1231.6401675 89502 303B23082 B22983 a-Alanine, conf. I
207485.4390 8.8305 -6.3180 3 1231.6401675 89502 303B23182 B23083 a-Alanine, conf. I
207508.8466 5.0435 -6.1328 3 317.4633333 89502 303552332 552035 a-Alanine, conf. I
207526.0736 0.6218 -6.2695 3 194.9042261 89502 303431925 431628 a-Alanine, conf. I
207547.7143 0.3709 -5.2911 3 440.8702339 89502 303564511 564412 a-Alanine, conf. I
207547.7143 0.3709 -5.2911 3 440.8702339 89502 303564512 564413 a-Alanine, conf. I
207548.7572 0.1039 -5.2808 3 188.9706231 89502 303382810 3728 9 a-Alanine, conf. I
207548.7572 0.1039 -5.2808 3 188.9706231 89502 303382811 372810 a-Alanine, conf. I
207595.3600 1.5373 -5.4098 3 581.1443489 89502 303811170 811071 a-Alanine, conf. I
207595.3600 1.5373 -5.4098 3 581.1443489 89502 303811270 811171 a-Alanine, conf. I
207605.0349 0.2380 -4.9444 3 142.2636225 89502 303371622 361621 a-Alanine, conf. I
207620.1602 3.0205 -5.6541 3 813.0567561 89502 303931974 931875 a-Alanine, conf. I
207620.1602 3.0205 -5.6541 3 813.0567561 89502 303932074 931975 a-Alanine, conf. I
207652.9460 1.6534 -5.4167 3 294.0562321 89502 303532231 522330 a-Alanine, conf. I
207664.7316 1.1334 -5.4439 3 703.9112465 89502 303774631 774532 a-Alanine, conf. I
207664.7316 1.1334 -5.4439 3 703.9112465 89502 303774632 774533 a-Alanine, conf. I
207669.2809 1.2991 -5.3922 3 281.2758315 89502 303522132 512229 a-Alanine, conf. I
207680.1841 0.3755 -5.3046 3 430.7010333 89502 303554510 554411 a-Alanine, conf. I
207680.1841 0.3755 -5.3046 3 430.7010333 89502 303554511 554412 a-Alanine, conf. I
207741.1591 0.1058 -5.2364 3 184.7069231 89502 303382711 372710 a-Alanine, conf. I
207741.1591 0.1058 -5.2364 3 184.7069231 89502 303382712 372711 a-Alanine, conf. I
207748.4487 5.5753 -5.9723 3 1025.4015621 89502 303A32578 A32479 a-Alanine, conf. I
207748.4487 5.5753 -5.9723 3 1025.4015621 89502 303A32678 A32579 a-Alanine, conf. I
207749.5259 0.4053 -4.9116 3 131.7032219 89502 303361422 351421 a-Alanine, conf. I
207796.7905 2.1138 -5.7174 3 893.9074537 89502 303894742 894643 a-Alanine, conf. I
207796.7905 2.1138 -5.7174 3 893.9074537 89502 303894743 894644 a-Alanine, conf. I
207805.2445 0.3837 -5.3221 3 420.7156327 89502 3035445 9 544410 a-Alanine, conf. I
207805.2445 0.3837 -5.3221 3 420.7156327 89502 303544510 544411 a-Alanine, conf. I
207809.6692 0.0329 -5.5305 3 90.3062183 89502 303301218 291118 a-Alanine, conf. I
207821.4704 0.0167 -5.5361 3 70.2052147 89502 3032417 7 2316 7 a-Alanine, conf. I
207821.4704 0.0167 -4.4484 3 70.2052147 89502 3032417 8 2316 7 a-Alanine, conf. I
207821.4705 0.0167 -5.5361 3 70.2052147 89502 3032417 8 2316 8 a-Alanine, conf. I
207821.4706 0.0167 -4.4484 3 70.2052147 89502 3032417 7 2316 8 a-Alanine, conf. I
207864.1271 1.2411 -5.0047 3 161.6145243 89502 303401426 391525 a-Alanine, conf. I
207923.1797 0.3952 -5.3442 3 410.9141321 89502 3035345 8 5344 9 a-Alanine, conf. I
207923.1797 0.3952 -5.3442 3 410.9141321 89502 3035345 9 534410 a-Alanine, conf. I
207934.1563 1.0252 -5.3754 3 268.8614309 89502 303512032 502129 a-Alanine, conf. I
207958.3639 0.1105 -5.1959 3 180.6073231 89502 303382612 372611 a-Alanine, conf. I
207958.3639 0.1105 -5.1959 3 180.6073231 89502 303382613 372612 a-Alanine, conf. I
207960.3854 0.0879 -6.0728 3 43.2160129 89502 303211012 20 713 a-Alanine, conf. I
207962.2891 4.4765 -6.2533 3 1213.0561639 89502 303A64957 A64858 a-Alanine, conf. I
207962.2894 4.4765 -6.2533 3 1213.0561639 89502 303A64958 A64859 a-Alanine, conf. I
207965.5993 0.1495 -4.8083 3 156.0632273 89502 30345 144 44 143 a-Alanine, conf. I
207965.5993 0.1495 -4.1875 3 156.0632273 89502 30345 144 44 243 a-Alanine, conf. I
207965.5993 0.1495 -4.1875 3 156.0632273 89502 30345 244 44 143 a-Alanine, conf. I
207965.5993 0.1495 -4.8083 3 156.0632273 89502 30345 244 44 243 a-Alanine, conf. I
207978.7154 0.1036 -4.6145 3 141.2506231 89502 303381127 371226 a-Alanine, conf. I
207979.2632 1.6868 -5.4504 3 636.1521507 89502 303841371 841272 a-Alanine, conf. I
207979.2632 1.6868 -5.4504 3 636.1521507 89502 303841471 841372 a-Alanine, conf. I
208007.3835 1.0666 -5.4260 3 689.8588459 89502 303764630 764531 a-Alanine, conf. I
208007.3835 1.0666 -5.4260 3 689.8588459 89502 303764631 764532 a-Alanine, conf. I
208010.3439 2.4412 -5.5747 3 752.1256543 89502 303901773 901674 a-Alanine, conf. I
208010.3439 2.4412 -5.5747 3 752.1256543 89502 303901873 901774 a-Alanine, conf. I
208034.2666 0.4094 -5.3720 3 401.2963315 89502 3035245 7 5244 8 a-Alanine, conf. I
208034.2666 0.4094 -5.3720 3 401.2963315 89502 3035245 8 5244 9 a-Alanine, conf. I
208040.9987 0.2784 -4.9426 3 142.2759225 89502 303371621 361620 a-Alanine, conf. I
208041.3236 2.1774 -5.7120 3 374.3989417 89502 30369 267 69 168 a-Alanine, conf. I
208041.3236 2.1774 -5.7120 3 374.3989417 89502 30369 367 69 268 a-Alanine, conf. I
208042.7669 0.4895 -6.1843 3 220.1968279 89502 303461928 461631 a-Alanine, conf. I
208046.0014 3.1787 -5.9811 3 1055.7433591 89502 303984850 984751 a-Alanine, conf. I
208046.0014 3.1787 -5.9811 3 1055.7433591 89502 303984851 984752 a-Alanine, conf. I
208055.4709 4.1487 -5.8024 3 916.5727591 89502 303982276 982177 a-Alanine, conf. I
208055.4709 4.1487 -5.8024 3 916.5727591 89502 303982376 982277 a-Alanine, conf. I
208123.3695 1.9917 -5.5063 3 693.1515525 89502 303871572 871473 a-Alanine, conf. I
208123.3695 1.9917 -5.5063 3 693.1515525 89502 303871672 871573 a-Alanine, conf. I
208138.7748 0.4257 -5.4069 3 391.8620309 89502 3035145 6 5144 7 a-Alanine, conf. I
208138.7748 0.4257 -5.4069 3 391.8620309 89502 3035145 7 5144 8 a-Alanine, conf. I
208150.3913 3.2148 -5.7021 3 296.2729327 89502 303541936 532033 a-Alanine, conf. I
208156.2501 0.0342 -4.6827 3 80.7106171 89502 303281316 271215 a-Alanine, conf. I
208180.8079 1.6072 -5.3936 3 508.5955465 89502 30377 869 77 770 a-Alanine, conf. I
208180.8079 1.6072 -5.3936 3 508.5955465 89502 30377 969 77 870 a-Alanine, conf. I
208204.9344 0.1176 -5.1587 3 176.6730231 89502 303382513 372512 a-Alanine, conf. I
208204.9344 0.1176 -5.1587 3 176.6730231 89502 303382514 372513 a-Alanine, conf. I
208236.9675 0.4439 -5.4511 3 382.6112303 89502 3035045 5 5044 6 a-Alanine, conf. I
208236.9675 0.4439 -5.4511 3 382.6112303 89502 3035045 6 5044 7 a-Alanine, conf. I
208256.7948 6.0490 -6.0612 3 401.2837375 89502 303622537 622240 a-Alanine, conf. I
208274.0282 0.0899 -4.8396 3 154.5792261 89502 30343 439 42 438 a-Alanine, conf. I
208274.0282 0.0899 -4.2687 3 154.5792261 89502 30343 439 42 538 a-Alanine, conf. I
208274.0282 0.0899 -4.2687 3 154.5792261 89502 30343 539 42 438 a-Alanine, conf. I
208274.0282 0.0899 -4.8396 3 154.5792261 89502 30343 539 42 538 a-Alanine, conf. I
208293.9321 0.0661 -5.7984 3 68.4290171 89502 30328 523 27 423 a-Alanine, conf. I
208294.3434 0.0661 -5.7984 3 68.4290171 89502 30328 623 27 523 a-Alanine, conf. I
208315.2235 1.8633 -5.4517 3 439.6649441 89502 30373 568 73 469 a-Alanine, conf. I
208315.2235 1.8633 -5.4517 3 439.6649441 89502 30373 668 73 569 a-Alanine, conf. I
208315.6574 2.0084 -5.6911 3 877.6198531 89502 303884741 884642 a-Alanine, conf. I
208315.6574 2.0084 -5.6911 3 877.6198531 89502 303884742 884643 a-Alanine, conf. I
208329.1010 0.4634 -5.5077 3 373.5437297 89502 3034945 4 4944 5 a-Alanine, conf. I
208329.1010 0.4634 -5.5077 3 373.5437297 89502 3034945 5 4944 6 a-Alanine, conf. I
208335.5038 1.0026 -5.4090 3 675.9930453 89502 303754629 754530 a-Alanine, conf. I
208335.5038 1.0026 -5.4090 3 675.9930453 89502 303754630 754531 a-Alanine, conf. I
208373.0914 0.0891 -4.8982 3 141.2506231 89502 303381227 371226 a-Alanine, conf. I
208415.4254 0.4838 -5.5824 3 364.6595291 89502 3034845 3 4844 4 a-Alanine, conf. I
208415.4254 0.4838 -5.5824 3 364.6595291 89502 3034845 4 4844 5 a-Alanine, conf. I
208441.7225 0.0199 -4.4881 3 72.2193153 89502 303251610 2415 9 a-Alanine, conf. I
208441.7249 0.0199 -5.5428 3 72.2193153 89502 3032516 9 2415 9 a-Alanine, conf. I
208441.7378 0.0199 -5.5428 3 72.2193153 89502 303251610 241510 a-Alanine, conf. I
208441.7403 0.0199 -4.4881 3 72.2193153 89502 3032516 9 241510 a-Alanine, conf. I
208443.2356 0.0288 -5.5554 3 80.7106171 89502 303281315 271215 a-Alanine, conf. I
208462.9249 0.1291 -5.5725 3 82.8165177 89502 303291119 281019 a-Alanine, conf. I
208486.6551 0.1269 -5.1245 3 172.9055231 89502 303382414 372413 a-Alanine, conf. I
208486.6551 0.1269 -5.1245 3 172.9055231 89502 303382415 372414 a-Alanine, conf. I
208496.1846 0.5051 -5.6853 3 355.9584285 89502 3034745 2 4744 3 a-Alanine, conf. I
208496.1846 0.5051 -5.6853 3 355.9584285 89502 3034745 3 4744 4 a-Alanine, conf. I
208536.3995 0.1797 -4.9116 3 138.2437225 89502 303371424 361423 a-Alanine, conf. I
208539.7359 6.1513 -6.0418 3 1068.9974633 89502 303A52679 A52580 a-Alanine, conf. I
208539.7360 6.1513 -6.0418 3 1068.9974633 89502 303A52779 A52680 a-Alanine, conf. I
208542.5822 0.2318 -4.9245 3 140.1643225 89502 303371523 361522 a-Alanine, conf. I
208571.6166 0.5268 -5.8396 3 347.4403279 89502 3034645 1 4644 2 a-Alanine, conf. I
208571.6166 0.5268 -5.8396 3 347.4403279 89502 3034645 2 4644 3 a-Alanine, conf. I
208611.2864 0.0899 -4.3707 3 151.2313249 89502 30341 734 40 833 a-Alanine, conf. I
208611.2873 0.0899 -4.8676 3 151.2313249 89502 30341 834 40 833 a-Alanine, conf. I
208611.2887 0.0899 -4.8676 3 151.2313249 89502 30341 734 40 733 a-Alanine, conf. I
208611.2895 0.0899 -4.3707 3 151.2313249 89502 30341 834 40 733 a-Alanine, conf. I
208641.9533 0.5489 -6.1191 3 339.1051273 89502 3034545 0 4544 1 a-Alanine, conf. I
208641.9533 0.5489 -6.1191 3 339.1051273 89502 3034545 1 4544 2 a-Alanine, conf. I
208649.5913 0.9414 -5.3929 3 662.3136447 89502 303744628 744529 a-Alanine, conf. I
208649.5913 0.9414 -5.3929 3 662.3136447 89502 303744629 744530 a-Alanine, conf. I
208724.2540 3.0287 -5.9494 3 1037.7760585 89502 303974849 974750 a-Alanine, conf. I
208724.2540 3.0287 -5.9494 3 1037.7760585 89502 303974850 974751 a-Alanine, conf. I
208769.4201 0.0875 -4.8964 3 141.2242231 89502 303381127 371126 a-Alanine, conf. I
208806.5012 4.2664 -6.2169 3 1193.5945633 89502 303A54956 A54857 a-Alanine, conf. I
208806.5013 4.2664 -6.2169 3 1193.5945633 89502 303A54957 A54858 a-Alanine, conf. I
208810.9997 0.1381 -5.0927 3 169.3067231 89502 303382315 372314 a-Alanine, conf. I
208810.9997 0.1381 -5.0927 3 169.3067231 89502 303382316 372315 a-Alanine, conf. I
208814.1938 1.9074 -5.6655 3 861.5205525 89502 303874740 874641 a-Alanine, conf. I
208814.1938 1.9074 -5.6655 3 861.5205525 89502 303874741 874642 a-Alanine, conf. I
208894.3325 1.5537 -5.4034 3 560.9147483 89502 303801070 80 971 a-Alanine, conf. I
208894.3325 1.5537 -5.4034 3 560.9147483 89502 303801170 801071 a-Alanine, conf. I
208898.8330 3.3833 -5.7080 3 852.4138573 89502 303952075 951976 a-Alanine, conf. I
208898.8330 3.3833 -5.7080 3 852.4138573 89502 303952175 952076 a-Alanine, conf. I
208907.6379 0.2939 -4.7216 3 143.2886231 89502 303381226 371325 a-Alanine, conf. I
208912.4489 0.3196 -6.2555 3 187.3627261 89502 303431528 421626 a-Alanine, conf. I
208929.0472 2.3175 -5.9718 3 356.9051411 89502 30368 167 68 068 a-Alanine, conf. I
208929.0472 2.3175 -5.9718 3 356.9051411 89502 30368 267 68 168 a-Alanine, conf. I
208935.9501 0.0235 -4.5352 3 74.6189159 89502 303261512 251411 a-Alanine, conf. I
208936.1574 0.0235 -5.5480 3 74.6189159 89502 303261511 251411 a-Alanine, conf. I
208937.0581 0.0235 -5.5480 3 74.6188159 89502 303261512 251412 a-Alanine, conf. I
208937.2654 0.0235 -4.5352 3 74.6188159 89502 303261511 251412 a-Alanine, conf. I
208950.1256 0.8828 -5.3777 3 648.8205441 89502 303734627 734528 a-Alanine, conf. I
208950.1256 0.8828 -5.3777 3 648.8205441 89502 303734628 734529 a-Alanine, conf. I
208978.0052 2.4022 -5.2930 3 227.1364285 89502 303471829 461928 a-Alanine, conf. I
209104.3522 4.6114 -5.8644 3 958.0614603 89502 303A02377 A02278 a-Alanine, conf. I
209104.3522 4.6114 -5.8644 3 958.0614603 89502 303A02477 A02378 a-Alanine, conf. I
209148.9605 0.0269 -4.5949 3 77.4288165 89502 303271414 261313 a-Alanine, conf. I
209159.0924 0.0271 -5.5517 3 77.4288165 89502 303271413 261313 a-Alanine, conf. I
209163.7961 0.0979 -4.6089 3 141.2242231 89502 303381227 371126 a-Alanine, conf. I
209181.4708 0.0354 -5.5530 3 80.6764171 89502 303281316 271216 a-Alanine, conf. I
209187.8536 0.1509 -5.0632 3 165.8792231 89502 303382217 372216 a-Alanine, conf. I
209187.8540 0.1509 -5.0632 3 165.8792231 89502 303382216 372215 a-Alanine, conf. I
209194.3586 0.0275 -5.5515 3 77.4273165 89502 303271414 261314 a-Alanine, conf. I
209204.4905 0.0277 -4.5947 3 77.4273165 89502 303271413 261314 a-Alanine, conf. I
209237.5689 0.8269 -5.3634 3 635.5135435 89502 303724626 724527 a-Alanine, conf. I
209237.5689 0.8269 -5.3634 3 635.5135435 89502 303724627 724528 a-Alanine, conf. I
209241.6002 6.7716 -6.1140 3 1113.4238645 89502 303A72780 A72681 a-Alanine, conf. I
209241.6002 6.7716 -6.1140 3 1113.4238645 89502 303A72880 A72781 a-Alanine, conf. I
209243.6940 0.1509 -5.5980 3 81.2059177 89502 303291020 28 920 a-Alanine, conf. I
209293.1405 1.8104 -5.6406 3 845.6092519 89502 303864739 864640 a-Alanine, conf. I
209293.1405 1.8104 -5.6406 3 845.6092519 89502 303864740 864641 a-Alanine, conf. I
209325.3320 1.9974 -5.5052 3 421.2446435 89502 30372 468 72 369 a-Alanine, conf. I
209325.3320 1.9974 -5.5052 3 421.2446435 89502 30372 568 72 469 a-Alanine, conf. I
209327.1208 1.7080 -5.4060 3 489.2628459 89502 30376 769 76 670 a-Alanine, conf. I
209327.1208 1.7080 -5.4060 3 489.2628459 89502 30376 869 76 770 a-Alanine, conf. I
209344.8215 0.0905 -4.5211 3 145.8592237 89502 303391029 381128 a-Alanine, conf. I
209346.6151 0.1951 -4.7928 3 158.4488279 89502 30346 046 45 045 a-Alanine, conf. I
209346.6151 0.1951 -4.1587 3 158.4488279 89502 30346 046 45 145 a-Alanine, conf. I
209346.6151 0.1951 -4.1587 3 158.4488279 89502 30346 146 45 045 a-Alanine, conf. I
209346.6151 0.1951 -4.7928 3 158.4488279 89502 30346 146 45 145 a-Alanine, conf. I
209364.4828 0.0904 -4.8887 3 145.8592237 89502 303391129 381128 a-Alanine, conf. I
209376.6487 2.8855 -5.9183 3 1019.9982579 89502 303964848 964749 a-Alanine, conf. I
209376.6487 2.8855 -5.9183 3 1019.9982579 89502 303964849 964750 a-Alanine, conf. I
209388.2432 0.0904 -4.8886 3 145.8577237 89502 303391029 381028 a-Alanine, conf. I
209391.1777 1.6237 -5.4358 3 615.2491501 89502 303831271 831172 a-Alanine, conf. I
209391.1777 1.6237 -5.4358 3 615.2491501 89502 303831371 831272 a-Alanine, conf. I
209407.9045 0.0905 -4.5208 3 145.8577237 89502 303391129 381028 a-Alanine, conf. I
209426.3148 0.0627 -5.8776 3 66.1326171 89502 30328 424 27 324 a-Alanine, conf. I
209426.3335 0.0627 -5.8776 3 66.1326171 89502 30328 524 27 424 a-Alanine, conf. I
209430.8756 2.7405 -5.6229 3 790.1832555 89502 303921874 921775 a-Alanine, conf. I
209430.8756 2.7405 -5.6229 3 790.1832555 89502 303921974 921875 a-Alanine, conf. I
209435.9837 1.6731 -5.7295 3 436.2174381 89502 303633133 623230 a-Alanine, conf. I
209435.9909 1.6731 -5.7295 3 436.2174381 89502 303633132 623231 a-Alanine, conf. I
209453.7097 1.3119 -6.3099 3 197.2997267 89502 303441628 431726 a-Alanine, conf. I
209457.1360 1.6478 -5.6902 3 420.1446375 89502 303623033 613130 a-Alanine, conf. I
209457.1704 1.6479 -5.6902 3 420.1446375 89502 303623032 613131 a-Alanine, conf. I
209468.4564 0.0454 -4.6789 3 80.6764171 89502 303281315 271216 a-Alanine, conf. I
209482.1268 1.7011 -5.7693 3 452.6309387 89502 303643233 633330 a-Alanine, conf. I
209482.1283 1.7012 -5.7693 3 452.6309387 89502 303643232 633331 a-Alanine, conf. I
209512.3666 0.7736 -5.3501 3 622.3924429 89502 303714625 714526 a-Alanine, conf. I
209512.3666 0.7736 -5.3501 3 622.3924429 89502 303714626 714527 a-Alanine, conf. I
209558.6206 1.6259 -5.6514 3 404.4131369 89502 303612933 603030 a-Alanine, conf. I
209558.7786 1.6260 -5.6514 3 404.4131369 89502 303612932 603031 a-Alanine, conf. I
209577.9286 0.0715 -5.8719 3 47.2608135 89502 303221013 21 714 a-Alanine, conf. I
209585.2151 1.7315 -5.8096 3 469.3843393 89502 303653333 643430 a-Alanine, conf. I
209585.2154 1.7315 -5.8096 3 469.3843393 89502 303653332 643431 a-Alanine, conf. I
209618.5728 4.0674 -6.1812 3 1174.3234627 89502 303A44955 A44856 a-Alanine, conf. I
209618.5729 4.0674 -6.1812 3 1174.3234627 89502 303A44956 A44857 a-Alanine, conf. I
209630.6811 0.1655 -5.0355 3 162.6259231 89502 303382118 372117 a-Alanine, conf. I
209630.6882 0.1655 -5.0355 3 162.6259231 89502 303382117 372116 a-Alanine, conf. I
209657.2582 1.8472 -5.4851 3 671.5831519 89502 303861472 861373 a-Alanine, conf. I
209657.2582 1.8472 -5.4851 3 671.5831519 89502 303861572 861473 a-Alanine, conf. I
209676.5976 2.2243 -5.5482 3 729.9002537 89502 303891673 891574 a-Alanine, conf. I
209676.5976 2.2243 -5.5482 3 729.9002537 89502 303891773 891674 a-Alanine, conf. I
209677.5992 0.1020 -4.8247 3 157.5750267 89502 30344 341 43 340 a-Alanine, conf. I
209677.5992 0.1020 -4.2346 3 157.5750267 89502 30344 341 43 440 a-Alanine, conf. I
209677.5992 0.1020 -4.2346 3 157.5750267 89502 30344 441 43 340 a-Alanine, conf. I
209677.5992 0.1020 -4.8247 3 157.5750267 89502 30344 441 43 440 a-Alanine, conf. I
209736.9128 1.7638 -5.8505 3 486.4772399 89502 303663433 653530 a-Alanine, conf. I
209736.9129 1.7638 -5.8505 3 486.4772399 89502 303663432 653531 a-Alanine, conf. I
209753.2025 1.7173 -5.6164 3 829.8857513 89502 303854738 854639 a-Alanine, conf. I
209753.2025 1.7173 -5.6164 3 829.8857513 89502 303854739 854640 a-Alanine, conf. I
209757.0909 1.6082 -5.6131 3 389.0239363 89502 303602833 592930 a-Alanine, conf. I
209757.7916 1.6085 -5.6131 3 389.0239363 89502 303602832 592931 a-Alanine, conf. I
209774.9486 0.7232 -5.3378 3 609.4572423 89502 303704624 704525 a-Alanine, conf. I
209774.9486 0.7232 -5.3378 3 609.4572423 89502 303704625 704526 a-Alanine, conf. I
209844.6595 0.3179 -5.5626 3 88.0794183 89502 303301020 29 920 a-Alanine, conf. I
209850.5565 7.4392 -6.1888 3 1158.6776657 89502 303A92881 A92782 a-Alanine, conf. I
209850.5566 7.4392 -6.1888 3 1158.6776657 89502 303A92981 A92882 a-Alanine, conf. I
209930.4180 1.7979 -5.8918 3 503.9090405 89502 303673532 663631 a-Alanine, conf. I
209930.4180 1.7979 -5.8918 3 503.9090405 89502 303673533 663630 a-Alanine, conf. I
209985.2380 0.0901 -4.8537 3 154.8620255 89502 30342 636 41 635 a-Alanine, conf. I
209985.2380 0.0901 -4.3271 3 154.8620255 89502 30342 636 41 735 a-Alanine, conf. I
209985.2380 0.0901 -4.3271 3 154.8620255 89502 30342 736 41 635 a-Alanine, conf. I
209985.2380 0.0901 -4.8537 3 154.8620255 89502 30342 736 41 735 a-Alanine, conf. I
210004.2138 2.7489 -5.8878 3 1002.4096573 89502 303954847 954748 a-Alanine, conf. I
210004.2138 2.7489 -5.8878 3 1002.4096573 89502 303954848 954749 a-Alanine, conf. I
210019.0092 1.3130 -6.0273 3 508.1436423 89502 303702743 702446 a-Alanine, conf. I
210025.7301 0.6756 -5.3265 3 596.7076417 89502 303694623 694524 a-Alanine, conf. I
210025.7301 0.6756 -5.3265 3 596.7076417 89502 303694624 694525 a-Alanine, conf. I
210073.5400 5.1115 -5.9293 3 1000.3894615 89502 303A22478 A22379 a-Alanine, conf. I
210073.5400 5.1115 -5.9293 3 1000.3894615 89502 303A22578 A22479 a-Alanine, conf. I
210074.0093 1.5954 -5.5752 3 373.9779357 89502 303592733 582830 a-Alanine, conf. I
210076.9931 1.5968 -5.5752 3 373.9779357 89502 303592732 582831 a-Alanine, conf. I
210105.3731 3.7798 -5.7650 3 892.6181585 89502 303972176 972077 a-Alanine, conf. I
210105.3731 3.7798 -5.7650 3 892.6181585 89502 303972276 972177 a-Alanine, conf. I
210107.9308 0.2445 -4.8852 3 130.3999219 89502 303361323 351322 a-Alanine, conf. I
210141.4616 1.6065 -5.4020 3 540.8976477 89502 30379 970 79 871 a-Alanine, conf. I
210141.4616 1.6065 -5.4020 3 540.8976477 89502 303791070 79 971 a-Alanine, conf. I
210158.5054 0.1821 -5.0095 3 159.5511231 89502 303382019 372018 a-Alanine, conf. I
210158.6147 0.1821 -5.0095 3 159.5511231 89502 303382018 372017 a-Alanine, conf. I
210160.1152 1.8334 -5.9338 3 521.6795411 89502 303683633 673730 a-Alanine, conf. I
210160.1153 1.8334 -5.9338 3 521.6795411 89502 303683632 673731 a-Alanine, conf. I
210183.7453 0.4197 -5.4174 3 266.3190309 89502 303511933 502030 a-Alanine, conf. I
210187.2190 0.0936 -4.8915 3 136.1164225 89502 303371225 361224 a-Alanine, conf. I
210195.0507 1.6279 -5.5930 3 814.3499507 89502 303844737 844638 a-Alanine, conf. I
210195.0507 1.6279 -5.5930 3 814.3499507 89502 303844738 844639 a-Alanine, conf. I
210212.2567 0.0794 -5.5508 3 84.3409177 89502 303291218 281118 a-Alanine, conf. I
210265.1128 0.6309 -5.3164 3 584.1435411 89502 303684622 684523 a-Alanine, conf. I
210265.1128 0.6309 -5.3164 3 584.1435411 89502 303684623 684524 a-Alanine, conf. I
210267.7395 1.2868 -6.2080 3 217.7386279 89502 303461829 461532 a-Alanine, conf. I
210295.3073 2.1369 -5.5874 3 403.0465429 89502 30371 368 71 269 a-Alanine, conf. I
210295.3073 2.1369 -5.5874 3 403.0465429 89502 30371 468 71 369 a-Alanine, conf. I
210362.8136 8.1575 -6.2663 3 1204.7554669 89502 303B12982 B12883 a-Alanine, conf. I
210362.8139 8.1575 -6.2663 3 1204.7554669 89502 303B13082 B12983 a-Alanine, conf. I
210374.9869 0.0260 -5.4769 3 69.4014129 89502 3032121 0 2020 0 a-Alanine, conf. I
210374.9869 0.0260 -4.3133 3 69.4014129 89502 3032121 0 2020 1 a-Alanine, conf. I
210374.9869 0.0260 -4.3133 3 69.4014129 89502 3032121 1 2020 0 a-Alanine, conf. I
210374.9869 0.0260 -5.4769 3 69.4014129 89502 3032121 1 2020 1 a-Alanine, conf. I
210394.0902 0.0722 -5.9853 3 63.7002171 89502 30328 325 27 225 a-Alanine, conf. I
210394.0908 0.0722 -5.9853 3 63.7002171 89502 30328 425 27 325 a-Alanine, conf. I
210399.9218 3.8785 -6.1462 3 1155.2425621 89502 303A34954 A34855 a-Alanine, conf. I
210399.9219 3.8785 -6.1462 3 1155.2425621 89502 303A34955 A34856 a-Alanine, conf. I
210421.3211 1.8704 -5.9762 3 539.7881417 89502 303693732 683831 a-Alanine, conf. I
210421.3211 1.8704 -5.9762 3 539.7881417 89502 303693733 683830 a-Alanine, conf. I
210427.9987 1.8260 -5.4280 3 470.1477453 89502 30375 669 75 570 a-Alanine, conf. I
210427.9987 1.8260 -5.4280 3 470.1477453 89502 30375 769 75 670 a-Alanine, conf. I
210493.4850 0.5894 -5.3075 3 571.7647405 89502 303674621 674522 a-Alanine, conf. I
210493.4850 0.5894 -5.3075 3 571.7647405 89502 303674622 674523 a-Alanine, conf. I
210503.9063 0.0930 -4.4533 3 150.2018243 89502 30340 931 391030 a-Alanine, conf. I
210504.5883 0.0930 -4.8776 3 150.2018243 89502 303401031 391030 a-Alanine, conf. I
210505.5232 0.0930 -4.8776 3 150.2018243 89502 30340 931 39 930 a-Alanine, conf. I
210506.2052 0.0931 -4.4533 3 150.2018243 89502 303401031 39 930 a-Alanine, conf. I
210536.7474 1.5887 -5.5378 3 359.2766351 89502 303582633 572730 a-Alanine, conf. I
210548.9047 1.5936 -5.5377 3 359.2765351 89502 303582632 572731 a-Alanine, conf. I
210604.2114 5.8617 -6.1890 3 287.5827321 89502 303531934 531637 a-Alanine, conf. I
210607.9170 2.6182 -5.8581 3 985.0099567 89502 303944846 944747 a-Alanine, conf. I
210607.9170 2.6182 -5.8581 3 985.0099567 89502 303944847 944748 a-Alanine, conf. I
210619.3256 1.5420 -5.5702 3 799.0016501 89502 303834736 834637 a-Alanine, conf. I
210619.3256 1.5420 -5.5702 3 799.0016501 89502 303834737 834638 a-Alanine, conf. I
210655.6006 1.9551 -5.3773 3 281.2688315 89502 303522131 512230 a-Alanine, conf. I
210703.1632 9.7081 -6.2373 3 440.4614399 89502 303662245 652342 a-Alanine, conf. I
210710.0933 1.9086 -6.0193 3 558.2345423 89502 303703832 693931 a-Alanine, conf. I
210710.0933 1.9086 -6.0193 3 558.2345423 89502 303703833 693930 a-Alanine, conf. I
210711.2230 0.5512 -5.2998 3 559.5712399 89502 303664620 664521 a-Alanine, conf. I
210711.2230 0.5512 -5.2998 3 559.5712399 89502 303664621 664522 a-Alanine, conf. I
210746.4891 1.6047 -5.4247 3 594.5549495 89502 303821171 821072 a-Alanine, conf. I
210746.4891 1.6047 -5.4247 3 594.5549495 89502 303821271 821172 a-Alanine, conf. I
210753.3688 0.1192 -5.5980 3 48.8617141 89502 30323 816 22 517 a-Alanine, conf. I
210783.5987 3.0730 -5.6745 3 829.0928567 89502 303941975 941876 a-Alanine, conf. I
210783.5987 3.0730 -5.6745 3 829.0928567 89502 303942075 941976 a-Alanine, conf. I
210799.2268 0.2012 -4.9849 3 156.6606231 89502 303381920 371919 a-Alanine, conf. I
210800.6365 0.2014 -4.9849 3 156.6606231 89502 303381919 371918 a-Alanine, conf. I
210811.4798 0.1507 -5.6298 3 79.4292177 89502 30329 821 28 721 a-Alanine, conf. I
210831.9409 0.3948 -4.9142 3 140.2492225 89502 303371522 361521 a-Alanine, conf. I
210918.6913 0.5166 -5.2934 3 547.5628393 89502 303654619 654520 a-Alanine, conf. I
210918.6913 0.5166 -5.2934 3 547.5628393 89502 303654620 654521 a-Alanine, conf. I
210960.3562 5.6510 -5.9969 3 1043.5538627 89502 303A42579 A42480 a-Alanine, conf. I
210960.3562 5.6510 -5.9969 3 1043.5538627 89502 303A42679 A42580 a-Alanine, conf. I
211023.0861 1.9479 -6.0629 3 577.0185429 89502 303713932 704031 a-Alanine, conf. I
211023.0861 1.9479 -6.0629 3 577.0185429 89502 303713933 704030 a-Alanine, conf. I
211026.6387 1.4594 -5.5481 3 783.8405495 89502 303824735 824636 a-Alanine, conf. I
211026.6387 1.4594 -5.5481 3 783.8405495 89502 303824736 824637 a-Alanine, conf. I
211029.1204 0.8029 -6.1749 3 228.9426285 89502 303471929 471632 a-Alanine, conf. I
211075.9991 0.1252 -4.8096 3 160.3815273 89502 30345 243 44 242 a-Alanine, conf. I
211075.9991 0.1252 -4.2030 3 160.3815273 89502 30345 243 44 342 a-Alanine, conf. I
211075.9991 0.1252 -4.2030 3 160.3815273 89502 30345 343 44 242 a-Alanine, conf. I
211075.9991 0.1252 -4.8096 3 160.3815273 89502 30345 343 44 342 a-Alanine, conf. I
211112.7545 7.0136 -6.0383 3 492.0196417 89502 303692643 692346 a-Alanine, conf. I
211113.6772 0.0182 -5.4882 3 70.1659135 89502 3032220 2 2119 2 a-Alanine, conf. I
211113.6772 0.0182 -4.3414 3 70.1659135 89502 3032220 2 2119 3 a-Alanine, conf. I
211113.6772 0.0182 -4.3414 3 70.1659135 89502 3032220 3 2119 2 a-Alanine, conf. I
211113.6772 0.0182 -5.4882 3 70.1659135 89502 3032220 3 2119 3 a-Alanine, conf. I
211116.2435 0.4858 -5.2885 3 535.7393387 89502 303644618 644519 a-Alanine, conf. I
211116.2435 0.4858 -5.2885 3 535.7393387 89502 303644619 644520 a-Alanine, conf. I
211129.0817 1.7451 -5.4668 3 650.2194513 89502 303851372 851273 a-Alanine, conf. I
211129.0817 1.7451 -5.4668 3 650.2194513 89502 303851472 851373 a-Alanine, conf. I
211151.8688 3.6990 -6.1117 3 1136.3516615 89502 303A24953 A24854 a-Alanine, conf. I
211151.8688 3.6990 -6.1117 3 1136.3516615 89502 303A24954 A24855 a-Alanine, conf. I
211160.1920 0.1364 -5.6285 3 79.4325177 89502 30329 921 28 821 a-Alanine, conf. I
211165.7543 2.4913 -5.5937 3 767.5056549 89502 303911774 911675 a-Alanine, conf. I
211165.7543 2.4913 -5.5937 3 767.5056549 89502 303911874 911775 a-Alanine, conf. I
211175.1989 0.6903 -4.8340 3 152.3329237 89502 303391326 381425 a-Alanine, conf. I
211177.8830 1.5877 -5.5008 3 344.9213345 89502 303572533 562630 a-Alanine, conf. I
211188.6715 2.4933 -5.8289 3 967.7990561 89502 303934845 934746 a-Alanine, conf. I
211188.6715 2.4933 -5.8289 3 967.7990561 89502 303934846 934747 a-Alanine, conf. I
211225.0687 1.6050 -5.5006 3 344.9213345 89502 303572532 562631 a-Alanine, conf. I
211226.8594 2.2796 -5.7212 3 385.0723423 89502 30370 268 70 169 a-Alanine, conf. I
211226.8594 2.2796 -5.7212 3 385.0723423 89502 30370 368 70 269 a-Alanine, conf. I
211235.4122 0.0905 -6.1446 3 61.1367171 89502 30328 226 27 126 a-Alanine, conf. I
211235.4122 0.0905 -6.1446 3 61.1367171 89502 30328 326 27 226 a-Alanine, conf. I
211237.6580 4.2109 -5.8249 3 933.6670597 89502 303992277 992178 a-Alanine, conf. I
211237.6580 4.2109 -5.8249 3 933.6670597 89502 303992377 992278 a-Alanine, conf. I
211274.4505 2.0436 -5.5239 3 707.8752531 89502 303881573 881474 a-Alanine, conf. I
211274.4505 2.0436 -5.5239 3 707.8752531 89502 303881673 881574 a-Alanine, conf. I
211304.2227 0.4592 -5.2852 3 524.1006381 89502 303634617 634518 a-Alanine, conf. I
211304.2227 0.4592 -5.2852 3 524.1006381 89502 303634618 634519 a-Alanine, conf. I
211339.2699 1.6892 -5.4066 3 521.0946471 89502 30378 870 78 771 a-Alanine, conf. I
211339.2699 1.6892 -5.4066 3 521.0946471 89502 30378 970 78 871 a-Alanine, conf. I
211357.4395 1.9883 -6.1071 3 596.1398435 89502 303724032 714131 a-Alanine, conf. I
211357.4395 1.9883 -6.1071 3 596.1398435 89502 303724033 714130 a-Alanine, conf. I
211379.4671 0.0913 -4.8395 3 158.2919261 89502 30343 538 42 537 a-Alanine, conf. I
211379.4671 0.0913 -4.2880 3 158.2919261 89502 30343 538 42 637 a-Alanine, conf. I
211379.4671 0.0913 -4.2880 3 158.2919261 89502 30343 638 42 537 a-Alanine, conf. I
211379.4671 0.0913 -4.8395 3 158.2919261 89502 30343 638 42 637 a-Alanine, conf. I
211417.5747 1.3800 -5.5269 3 768.8665489 89502 303814734 814635 a-Alanine, conf. I
211417.5747 1.3800 -5.5269 3 768.8665489 89502 303814735 814636 a-Alanine, conf. I
211482.9621 0.4369 -5.2835 3 512.6465375 89502 303624616 624517 a-Alanine, conf. I
211482.9621 0.4369 -5.2835 3 512.6465375 89502 303624617 624518 a-Alanine, conf. I
211485.4977 1.9562 -5.4628 3 451.2518447 89502 30374 569 74 470 a-Alanine, conf. I
211485.4977 1.9562 -5.4628 3 451.2518447 89502 30374 669 74 570 a-Alanine, conf. I
211593.0892 0.2237 -4.9614 3 153.9623231 89502 303381821 371820 a-Alanine, conf. I
211608.1740 0.2256 -4.9613 3 153.9627231 89502 303381820 371819 a-Alanine, conf. I
211612.1821 8.2895 -6.1041 3 370.3211363 89502 303602238 601941 a-Alanine, conf. I
211614.4086 0.1082 -4.8917 3 143.2886231 89502 303381326 371325 a-Alanine, conf. I
211632.7548 2.0535 -5.5719 3 286.0318321 89502 303531935 522032 a-Alanine, conf. I
211652.7855 0.4194 -5.2836 3 501.3770369 89502 303614615 614516 a-Alanine, conf. I
211652.7855 0.4194 -5.2836 3 501.3770369 89502 303614616 614517 a-Alanine, conf. I
211710.6914 2.0297 -6.1519 3 615.5982441 89502 303734132 724231 a-Alanine, conf. I
211710.6914 2.0297 -6.1519 3 615.5982441 89502 303734133 724230 a-Alanine, conf. I
211747.3397 2.3736 -5.8004 3 950.7767555 89502 303924844 924745 a-Alanine, conf. I
211747.3397 2.3736 -5.8004 3 950.7767555 89502 303924845 924746 a-Alanine, conf. I
211761.9150 6.2322 -6.0673 3 1087.5515639 89502 303A62680 A62581 a-Alanine, conf. I
211761.9150 6.2322 -6.0673 3 1087.5515639 89502 303A62780 A62681 a-Alanine, conf. I
211774.8496 0.0949 -4.3980 3 154.3056249 89502 30341 833 40 932 a-Alanine, conf. I
211774.8668 0.0949 -4.8654 3 154.3056249 89502 30341 933 40 932 a-Alanine, conf. I
211774.8929 0.0949 -4.8654 3 154.3056249 89502 30341 833 40 832 a-Alanine, conf. I
211774.9102 0.0949 -4.3980 3 154.3056249 89502 30341 933 40 832 a-Alanine, conf. I
211792.6939 1.3036 -5.5063 3 754.0795483 89502 303804733 804634 a-Alanine, conf. I
211792.6939 1.3036 -5.5063 3 754.0795483 89502 303804734 804635 a-Alanine, conf. I
211814.0077 0.4067 -5.2858 3 490.2920363 89502 303604614 604515 a-Alanine, conf. I
211814.0077 0.4067 -5.2858 3 490.2920363 89502 303604615 604516 a-Alanine, conf. I
211836.0632 5.4421 -5.8816 3 341.1617351 89502 303582039 572136 a-Alanine, conf. I
211842.3034 0.0152 -5.4984 3 71.2824141 89502 3032319 4 2218 4 a-Alanine, conf. I
211842.3034 0.0152 -4.3712 3 71.2824141 89502 3032319 4 2218 5 a-Alanine, conf. I
211842.3034 0.0152 -4.3712 3 71.2824141 89502 3032319 5 2218 4 a-Alanine, conf. I
211842.3034 0.0152 -5.4984 3 71.2824141 89502 3032319 5 2218 5 a-Alanine, conf. I
211875.6466 3.5281 -6.0779 3 1117.6505609 89502 303A14952 A14853 a-Alanine, conf. I
211875.6466 3.5281 -6.0779 3 1117.6505609 89502 303A14953 A14854 a-Alanine, conf. I
211966.9350 0.3989 -5.2903 3 479.3912357 89502 303594613 594514 a-Alanine, conf. I
211966.9350 0.3989 -5.2903 3 479.3912357 89502 303594614 594515 a-Alanine, conf. I
211993.1653 0.1978 -6.0209 3 241.4892237 89502 3033937 2 3837 1 a-Alanine, conf. I
211993.1653 0.1978 -6.0209 3 241.4892237 89502 3033937 3 3837 2 a-Alanine, conf. I
212026.8509 1.5881 -5.4645 3 330.9144339 89502 303562433 552530 a-Alanine, conf. I
212048.0896 1.6273 -5.4179 3 574.0712489 89502 303811071 81 972 a-Alanine, conf. I
212048.0896 1.6273 -5.4179 3 574.0712489 89502 303811171 811072 a-Alanine, conf. I
212066.6806 3.4388 -5.7292 3 868.8521579 89502 303962076 961977 a-Alanine, conf. I
212066.6806 3.4388 -5.7292 3 868.8521579 89502 303962176 962077 a-Alanine, conf. I
212075.5561 0.1807 -5.8384 3 235.7826237 89502 3033936 3 3836 2 a-Alanine, conf. I
212075.5561 0.1807 -5.8384 3 235.7826237 89502 3033936 4 3836 3 a-Alanine, conf. I
212080.7102 2.0722 -6.1972 3 635.3933447 89502 303744232 734331 a-Alanine, conf. I
212080.7102 2.0722 -6.1972 3 635.3933447 89502 303744233 734330 a-Alanine, conf. I
212080.7257 0.3693 -5.0124 3 77.6100171 89502 303281117 271018 a-Alanine, conf. I
212111.8653 0.3959 -5.2973 3 468.6745351 89502 303584612 584513 a-Alanine, conf. I
212111.8653 0.3959 -5.2973 3 468.6745351 89502 303584613 584514 a-Alanine, conf. I
212120.9342 7.7576 -6.0672 3 389.2465375 89502 303622142 612239 a-Alanine, conf. I
212121.5888 2.4237 -5.9805 3 367.3233417 89502 30369 168 69 069 a-Alanine, conf. I
212121.5888 2.4237 -5.9805 3 367.3233417 89502 30369 268 69 169 a-Alanine, conf. I
212141.1030 0.4276 -6.2656 3 195.7179267 89502 303441529 431627 a-Alanine, conf. I
212152.5333 1.2303 -5.4866 3 739.4792477 89502 303794732 794633 a-Alanine, conf. I
212152.5333 1.2303 -5.4866 3 739.4792477 89502 303794733 794634 a-Alanine, conf. I
212165.9969 0.1648 -5.7074 3 230.2352237 89502 3033935 4 3835 3 a-Alanine, conf. I
212165.9969 0.1648 -5.7074 3 230.2352237 89502 3033935 5 3835 4 a-Alanine, conf. I
212190.0808 0.0620 -4.6978 3 85.9885177 89502 303291317 281216 a-Alanine, conf. I
212191.1101 0.0725 -5.8804 3 41.7838135 89502 30322 517 21 418 a-Alanine, conf. I
212200.2710 1.6451 -5.4638 3 330.9141339 89502 303562432 552531 a-Alanine, conf. I
212220.6799 1.0467 -5.4762 3 276.0477315 89502 303521934 512031 a-Alanine, conf. I
212222.5149 0.0909 -5.5019 3 96.1425189 89502 303311219 301119 a-Alanine, conf. I
212249.0888 0.3975 -5.3072 3 458.1419345 89502 303574611 574512 a-Alanine, conf. I
212249.0888 0.3975 -5.3072 3 458.1419345 89502 303574612 574513 a-Alanine, conf. I
212265.4584 0.1504 -5.6047 3 224.8472237 89502 3033934 5 3834 4 a-Alanine, conf. I
212265.4584 0.1504 -5.6047 3 224.8472237 89502 3033934 6 3834 5 a-Alanine, conf. I
212273.1482 4.1119 -6.0394 3 521.6393429 89502 303712744 712447 a-Alanine, conf. I
212284.7382 2.2588 -5.7726 3 933.9426549 89502 303914843 914744 a-Alanine, conf. I
212284.7382 2.2588 -5.7726 3 933.9426549 89502 303914844 914745 a-Alanine, conf. I
212286.6122 0.0708 -5.8801 3 41.7837135 89502 30322 617 21 318 a-Alanine, conf. I
212293.4169 4.6780 -5.8878 3 975.5577609 89502 303A12378 A12279 a-Alanine, conf. I
212293.4169 4.6780 -5.8878 3 975.5577609 89502 303A12478 A12379 a-Alanine, conf. I
212332.8733 2.4860 -5.3134 3 247.5471297 89502 303491930 482029 a-Alanine, conf. I
212375.0708 0.1379 -5.5202 3 219.6191237 89502 3033933 6 3833 5 a-Alanine, conf. I
212375.0708 0.1379 -5.5202 3 219.6191237 89502 3033933 7 3833 6 a-Alanine, conf. I
212378.8883 0.4032 -5.3204 3 447.7933339 89502 303564610 564511 a-Alanine, conf. I
212378.8883 0.4032 -5.3204 3 447.7933339 89502 303564611 564512 a-Alanine, conf. I
212465.2143 0.1607 -4.7946 3 163.0002279 89502 30346 145 45 144 a-Alanine, conf. I
212465.2143 0.1607 -4.1734 3 163.0002279 89502 30346 145 45 244 a-Alanine, conf. I
212465.2143 0.1607 -4.1734 3 163.0002279 89502 30346 245 45 144 a-Alanine, conf. I
212465.2143 0.1607 -4.7946 3 163.0002279 89502 30346 245 45 244 a-Alanine, conf. I
212465.6394 2.1155 -6.2432 3 655.5249453 89502 303754332 744431 a-Alanine, conf. I
212465.6394 2.1155 -6.2432 3 655.5249453 89502 303754333 744430 a-Alanine, conf. I
212475.1000 6.8578 -6.1403 3 1132.3796651 89502 303A82781 A82682 a-Alanine, conf. I
212475.1001 6.8578 -6.1403 3 1132.3796651 89502 303A82881 A82782 a-Alanine, conf. I
212490.0828 1.7949 -5.4186 3 501.5076465 89502 30377 770 77 671 a-Alanine, conf. I
212490.0828 1.7949 -5.4186 3 501.5076465 89502 30377 870 77 771 a-Alanine, conf. I
212496.1580 0.1274 -5.4483 3 214.5513237 89502 3033932 7 3832 6 a-Alanine, conf. I
212496.1580 0.1274 -5.4483 3 214.5513237 89502 3033932 8 3832 7 a-Alanine, conf. I
212497.6084 1.1598 -5.4676 3 725.0655471 89502 303784731 784632 a-Alanine, conf. I
212497.6084 1.1598 -5.4676 3 725.0655471 89502 303784732 784633 a-Alanine, conf. I
212501.5285 2.0946 -5.5159 3 432.5767441 89502 30373 469 73 370 a-Alanine, conf. I
212501.5285 2.0946 -5.5159 3 432.5767441 89502 30373 569 73 470 a-Alanine, conf. I
212501.5393 0.4127 -5.3375 3 437.6284333 89502 3035546 9 554510 a-Alanine, conf. I
212501.5393 0.4127 -5.3375 3 437.6284333 89502 303554610 554511 a-Alanine, conf. I
212528.9496 0.3241 -5.5174 3 95.0791189 89502 303311120 301020 a-Alanine, conf. I
212542.1880 1.6878 -5.4516 3 629.0625507 89502 303841272 841173 a-Alanine, conf. I
212542.1880 1.6878 -5.4516 3 629.0625507 89502 303841372 841273 a-Alanine, conf. I
212548.8540 0.0163 -5.5073 3 72.7560147 89502 3032418 6 2317 6 a-Alanine, conf. I
212548.8540 0.0163 -4.4035 3 72.7560147 89502 3032418 6 2317 7 a-Alanine, conf. I
212548.8540 0.0163 -4.4035 3 72.7560147 89502 3032418 7 2317 6 a-Alanine, conf. I
212548.8540 0.0163 -5.5073 3 72.7560147 89502 3032418 7 2317 7 a-Alanine, conf. I
212572.4089 3.3654 -6.0447 3 1099.1388603 89502 303A04951 A04852 a-Alanine, conf. I
212572.4089 3.3654 -6.0447 3 1099.1388603 89502 303A04952 A04853 a-Alanine, conf. I
212578.9683 0.2483 -4.9387 3 151.4676231 89502 303381722 371721 a-Alanine, conf. I
212589.2402 2.7920 -5.6429 3 805.9655561 89502 303931875 931776 a-Alanine, conf. I
212589.2402 2.7920 -5.6429 3 805.9655561 89502 303931975 931876 a-Alanine, conf. I
212617.3102 0.4253 -5.3593 3 427.6473327 89502 3035446 8 5445 9 a-Alanine, conf. I
212617.3102 0.4253 -5.3593 3 427.6473327 89502 3035446 9 544510 a-Alanine, conf. I
212620.2779 0.0992 -4.5756 3 148.2012237 89502 303391128 381227 a-Alanine, conf. I
212630.2805 0.1195 -5.3857 3 209.6442237 89502 3033931 8 3831 7 a-Alanine, conf. I
212630.2805 0.1195 -5.3857 3 209.6442237 89502 3033931 9 3831 8 a-Alanine, conf. I
212666.4670 0.0410 -5.6966 3 51.4526141 89502 303231014 22 715 a-Alanine, conf. I
212709.4841 0.2626 -4.9382 3 151.4709231 89502 303381721 371720 a-Alanine, conf. I
212712.8429 4.6798 -6.0464 3 494.7424417 89502 303692742 692445 a-Alanine, conf. I
212726.4629 0.4406 -5.3868 3 417.8497321 89502 3035346 7 5345 8 a-Alanine, conf. I
212726.4629 0.4406 -5.3868 3 417.8497321 89502 3035346 8 5345 9 a-Alanine, conf. I
212779.2915 0.1144 -5.3303 3 204.8984237 89502 3033930 9 3830 8 a-Alanine, conf. I
212779.2915 0.1144 -5.3303 3 204.8984237 89502 303393010 3830 9 a-Alanine, conf. I
212781.2454 0.0965 -4.8252 3 161.5264267 89502 30344 440 43 439 a-Alanine, conf. I
212781.2454 0.0965 -4.2523 3 161.5264267 89502 30344 440 43 539 a-Alanine, conf. I
212781.2454 0.0965 -4.2523 3 161.5264267 89502 30344 540 43 439 a-Alanine, conf. I
212781.2454 0.0965 -4.8252 3 161.5264267 89502 30344 540 43 539 a-Alanine, conf. I
212801.6413 2.1488 -5.7454 3 917.2967543 89502 303904842 904743 a-Alanine, conf. I
212801.6413 2.1488 -5.7454 3 917.2967543 89502 303904843 904744 a-Alanine, conf. I
212807.8190 1.9029 -5.5023 3 686.0530525 89502 303871473 871374 a-Alanine, conf. I
212807.8190 1.9029 -5.5023 3 686.0530525 89502 303871573 871474 a-Alanine, conf. I
212811.8352 0.0943 -4.8825 3 148.2012237 89502 303391228 381227 a-Alanine, conf. I
212828.4148 1.0921 -5.4494 3 710.8382465 89502 303774730 774631 a-Alanine, conf. I
212828.4148 1.0921 -5.4494 3 710.8382465 89502 303774731 774632 a-Alanine, conf. I
212829.2529 0.4580 -5.4214 3 408.2355315 89502 3035246 6 5245 7 a-Alanine, conf. I
212829.2529 0.4580 -5.4214 3 408.2355315 89502 3035246 7 5245 8 a-Alanine, conf. I
212829.4305 2.2757 -5.5668 3 745.0264543 89502 303901674 901575 a-Alanine, conf. I
212829.4305 2.2757 -5.5668 3 745.0264543 89502 303901774 901675 a-Alanine, conf. I
212850.3728 0.0373 -5.5344 3 85.9885177 89502 303291316 281216 a-Alanine, conf. I
212863.8539 2.1599 -6.2898 3 675.9930459 89502 303764432 754531 a-Alanine, conf. I
212863.8539 2.1599 -6.2898 3 675.9930459 89502 303764433 754530 a-Alanine, conf. I
212900.4781 4.0037 -6.2085 3 274.1742309 89502 303512229 511932 a-Alanine, conf. I
212917.3026 8.9615 -6.0580 3 463.1968405 89502 303672542 672245 a-Alanine, conf. I
212920.7057 1.6689 -5.0659 3 178.8979255 89502 303421527 411626 a-Alanine, conf. I
212925.9293 0.4772 -5.4652 3 398.8048309 89502 3035146 5 5145 6 a-Alanine, conf. I
212925.9293 0.4772 -5.4652 3 398.8048309 89502 3035146 6 5145 7 a-Alanine, conf. I
212945.4092 0.1124 -5.2807 3 200.3147237 89502 303392910 3829 9 a-Alanine, conf. I
212945.4092 0.1124 -5.2807 3 200.3147237 89502 303392911 382910 a-Alanine, conf. I
213014.6539 0.0934 -4.8816 3 148.1880237 89502 303391128 381127 a-Alanine, conf. I
213016.7354 0.4977 -5.5216 3 389.5572303 89502 3035046 4 5045 5 a-Alanine, conf. I
213016.7354 0.4977 -5.5216 3 389.5572303 89502 3035046 5 5045 6 a-Alanine, conf. I
213019.2503 0.1113 -5.6666 3 77.4853177 89502 30329 722 28 622 a-Alanine, conf. I
213055.7117 0.1097 -5.6665 3 77.4856177 89502 30329 822 28 722 a-Alanine, conf. I
213078.0350 1.5739 -5.4295 3 317.2587333 89502 303552333 542430 a-Alanine, conf. I
213096.5377 7.5307 -6.2160 3 1178.0350663 89502 303B02882 B02783 a-Alanine, conf. I
213096.5378 7.5307 -6.2160 3 1178.0350663 89502 303B02982 B02883 a-Alanine, conf. I
213101.9085 0.5192 -5.5959 3 380.4928297 89502 3034946 3 4945 4 a-Alanine, conf. I
213101.9085 0.5192 -5.5959 3 380.4928297 89502 3034946 4 4945 5 a-Alanine, conf. I
213115.5003 0.0957 -4.3507 3 158.1898255 89502 30342 735 41 834 a-Alanine, conf. I
213115.5006 0.0957 -4.8524 3 158.1898255 89502 30342 835 41 834 a-Alanine, conf. I
213115.5011 0.0957 -4.8524 3 158.1898255 89502 30342 735 41 734 a-Alanine, conf. I
213115.5015 0.0957 -4.3507 3 158.1898255 89502 30342 835 41 734 a-Alanine, conf. I
213131.3134 0.1135 -5.2357 3 195.8937237 89502 303392811 382810 a-Alanine, conf. I
213131.3134 0.1135 -5.2357 3 195.8937237 89502 303392812 382811 a-Alanine, conf. I
213145.4290 1.0273 -5.4321 3 696.7972459 89502 303764729 764630 a-Alanine, conf. I
213145.4290 1.0273 -5.4321 3 696.7972459 89502 303764730 764631 a-Alanine, conf. I
213181.6803 0.5414 -5.6985 3 371.6115291 89502 3034846 2 4845 3 a-Alanine, conf. I
213181.6803 0.5414 -5.6985 3 371.6115291 89502 3034846 3 4845 4 a-Alanine, conf. I
213206.2112 0.0960 -4.5729 3 148.1880237 89502 303391228 381127 a-Alanine, conf. I
213212.1226 0.0194 -4.4395 3 74.5943153 89502 3032517 9 2416 8 a-Alanine, conf. I
213212.1227 0.0194 -5.5149 3 74.5943153 89502 3032517 8 2416 8 a-Alanine, conf. I
213212.1232 0.0194 -5.5149 3 74.5943153 89502 3032517 9 2416 9 a-Alanine, conf. I
213212.1233 0.0194 -4.4395 3 74.5943153 89502 3032517 8 2416 9 a-Alanine, conf. I
213227.7142 5.9891 -6.1225 3 352.4485351 89502 303582434 582137 a-Alanine, conf. I
213243.2379 3.2101 -6.0122 3 1080.8164597 89502 303994950 994851 a-Alanine, conf. I
213243.2379 3.2101 -6.0122 3 1080.8164597 89502 303994951 994852 a-Alanine, conf. I
213256.2768 0.5642 -5.8526 3 362.9131285 89502 3034746 1 4745 2 a-Alanine, conf. I
213256.2768 0.5642 -5.8526 3 362.9131285 89502 3034746 2 4745 3 a-Alanine, conf. I
213270.2163 5.1829 -5.9536 3 1018.2875621 89502 303A32479 A32380 a-Alanine, conf. I
213270.2163 5.1829 -5.9536 3 1018.2875621 89502 303A32579 A32480 a-Alanine, conf. I
213278.1689 3.8388 -5.7871 3 909.4585591 89502 303982177 982078 a-Alanine, conf. I
213278.1689 3.8388 -5.7871 3 909.4585591 89502 303982277 982178 a-Alanine, conf. I
213298.6309 1.6860 -5.4161 3 553.7999483 89502 30380 971 80 872 a-Alanine, conf. I
213298.6309 1.6860 -5.4161 3 553.7999483 89502 303801071 80 972 a-Alanine, conf. I
213298.7840 2.0432 -5.7189 3 900.8387537 89502 303894841 894742 a-Alanine, conf. I
213298.7840 2.0432 -5.7189 3 900.8387537 89502 303894842 894743 a-Alanine, conf. I
213325.9190 0.5872 -6.1318 3 354.3975279 89502 3034646 0 4645 1 a-Alanine, conf. I
213325.9190 0.5872 -6.1318 3 354.3975279 89502 3034646 1 4645 2 a-Alanine, conf. I
213340.2758 0.1176 -5.1948 3 191.6364237 89502 303392712 382711 a-Alanine, conf. I
213340.2758 0.1176 -5.1948 3 191.6364237 89502 303392713 382712 a-Alanine, conf. I
213390.6120 4.4863 -6.2868 3 1239.6162645 89502 303A75057 A74958 a-Alanine, conf. I
213390.6120 4.4863 -6.2868 3 1239.6162645 89502 303A75058 A74959 a-Alanine, conf. I
213449.1102 0.9651 -5.4157 3 682.9423453 89502 303754728 754629 a-Alanine, conf. I
213449.1102 0.9651 -5.4157 3 682.9423453 89502 303754729 754630 a-Alanine, conf. I
213477.8720 2.2382 -5.5976 3 414.1237435 89502 30372 369 72 270 a-Alanine, conf. I
213477.8720 2.2382 -5.5976 3 414.1237435 89502 30372 469 72 370 a-Alanine, conf. I
213562.0584 1.5864 -6.2668 3 206.7057273 89502 303451729 451432 a-Alanine, conf. I
213576.3392 0.1243 -5.1572 3 187.5441237 89502 303392613 382612 a-Alanine, conf. I
213576.3392 0.1243 -5.1572 3 187.5441237 89502 303392614 382613 a-Alanine, conf. I
213596.0508 1.9175 -5.4402 3 482.1380459 89502 30376 670 76 571 a-Alanine, conf. I
213596.0508 1.9175 -5.4402 3 482.1380459 89502 30376 770 76 671 a-Alanine, conf. I
213622.5656 8.2542 -6.2943 3 1224.5144675 89502 303B22983 B22884 a-Alanine, conf. I
213622.5657 8.2542 -6.2943 3 1224.5144675 89502 303B23083 B22984 a-Alanine, conf. I
213676.5681 1.7489 -5.4268 3 317.2576333 89502 303552332 542431 a-Alanine, conf. I
213681.6285 0.2627 -4.9173 3 149.1885231 89502 303381623 371622 a-Alanine, conf. I
213739.4539 0.1019 -4.8810 3 143.1275231 89502 303381226 371225 a-Alanine, conf. I
213739.9009 0.9057 -5.4002 3 669.2734447 89502 303744727 744628 a-Alanine, conf. I
213739.9009 0.9057 -5.4002 3 669.2734447 89502 303744728 744629 a-Alanine, conf. I
213776.8657 1.9417 -5.6930 3 884.5685531 89502 303884840 884741 a-Alanine, conf. I
213776.8657 1.9417 -5.6930 3 884.5685531 89502 303884841 884742 a-Alanine, conf. I
213793.4275 0.0229 -4.4808 3 76.8082159 89502 303261611 251510 a-Alanine, conf. I
213793.4374 0.0229 -5.5212 3 76.8082159 89502 303261610 251510 a-Alanine, conf. I
213793.4861 0.0229 -5.5212 3 76.8082159 89502 303261611 251511 a-Alanine, conf. I
213793.4960 0.0229 -4.4808 3 76.8082159 89502 303261610 251511 a-Alanine, conf. I
213805.5879 0.0967 -4.4923 3 152.8428243 89502 303401030 391129 a-Alanine, conf. I
213814.3424 0.0967 -4.8733 3 152.8428243 89502 303401130 391129 a-Alanine, conf. I
213825.2492 0.0967 -4.8732 3 152.8422243 89502 303401030 391029 a-Alanine, conf. I
213834.0037 0.0967 -4.4922 3 152.8422243 89502 303401130 391029 a-Alanine, conf. I
213842.3279 0.2086 -4.7796 3 165.4318285 89502 30347 047 46 046 a-Alanine, conf. I
213842.3279 0.2086 -4.1454 3 165.4318285 89502 30347 047 46 146 a-Alanine, conf. I
213842.3279 0.2086 -4.1454 3 165.4318285 89502 30347 147 46 046 a-Alanine, conf. I
213842.3279 0.2086 -4.7796 3 165.4318285 89502 30347 147 46 146 a-Alanine, conf. I
213844.5707 0.1334 -5.1224 3 183.6180237 89502 303392514 382513 a-Alanine, conf. I
213844.5707 0.1334 -5.1224 3 183.6180237 89502 303392515 382514 a-Alanine, conf. I
213847.4405 0.1681 -4.8904 3 145.1997231 89502 303381425 371424 a-Alanine, conf. I
213889.1504 3.0618 -5.9803 3 1062.6830591 89502 303984949 984850 a-Alanine, conf. I
213889.1504 3.0618 -5.9803 3 1062.6830591 89502 303984950 984851 a-Alanine, conf. I
213899.6276 1.6751 -5.4401 3 608.1142501 89502 303831172 831073 a-Alanine, conf. I
213899.6276 1.6751 -5.4401 3 608.1142501 89502 303831272 831173 a-Alanine, conf. I
213945.3568 3.1266 -5.6953 3 845.2774573 89502 303951976 951877 a-Alanine, conf. I
213945.3568 3.1266 -5.6953 3 845.2774573 89502 303952076 951977 a-Alanine, conf. I
213987.1815 6.8002 -6.0710 3 440.4614393 89502 303652639 652342 a-Alanine, conf. I
214018.2283 0.8490 -5.3855 3 655.7903441 89502 303734726 734627 a-Alanine, conf. I
214018.2283 0.8490 -5.3855 3 655.7903441 89502 303734727 734628 a-Alanine, conf. I
214020.8701 0.4283 -5.2076 3 71.1232165 89502 303271017 26 918 a-Alanine, conf. I
214151.4300 0.1444 -5.0902 3 179.8599237 89502 303392415 382414 a-Alanine, conf. I
214151.4300 0.1444 -5.0902 3 179.8599237 89502 303392416 382415 a-Alanine, conf. I
214165.4437 5.7275 -6.0221 3 1061.8536633 89502 303A52580 A52481 a-Alanine, conf. I
214165.4437 5.7275 -6.0221 3 1061.8536633 89502 303A52680 A52581 a-Alanine, conf. I
214182.5089 0.1100 -4.8108 3 164.5691273 89502 30345 342 44 341 a-Alanine, conf. I
214182.5089 0.1100 -4.2195 3 164.5691273 89502 30345 342 44 441 a-Alanine, conf. I
214182.5089 0.1100 -4.2195 3 164.5691273 89502 30345 442 44 341 a-Alanine, conf. I
214182.5089 0.1100 -4.8108 3 164.5691273 89502 30345 442 44 441 a-Alanine, conf. I
214189.5640 4.2821 -6.2504 3 1219.9930639 89502 303A65056 A64957 a-Alanine, conf. I
214189.5640 4.2821 -6.2504 3 1219.9930639 89502 303A65057 A64958 a-Alanine, conf. I
214202.0919 1.5033 -5.3973 3 303.9588327 89502 303542233 532330 a-Alanine, conf. I
214215.4879 0.0268 -4.5306 3 79.4149165 89502 303271513 261412 a-Alanine, conf. I
214216.1720 0.0268 -5.5259 3 79.4149165 89502 303271512 261412 a-Alanine, conf. I
214218.9478 0.0268 -5.5259 3 79.4148165 89502 303271513 261413 a-Alanine, conf. I
214219.6319 0.0268 -4.5306 3 79.4148165 89502 303271512 261413 a-Alanine, conf. I
214236.5525 1.8442 -5.6679 3 868.4858525 89502 303874839 874740 a-Alanine, conf. I
214236.5525 1.8442 -5.6679 3 868.4858525 89502 303874840 874741 a-Alanine, conf. I
214243.7084 0.0295 -4.5955 3 82.4451171 89502 303281415 271314 a-Alanine, conf. I
214271.6473 0.0300 -5.5294 3 82.4451171 89502 303281414 271314 a-Alanine, conf. I
214278.0778 0.8372 -5.3701 3 278.4654315 89502 303522033 512130 a-Alanine, conf. I
214280.2470 1.8060 -5.4836 3 664.4354519 89502 303861373 861274 a-Alanine, conf. I
214280.2470 1.8060 -5.4836 3 664.4354519 89502 303861473 861374 a-Alanine, conf. I
214284.5049 0.7951 -5.3719 3 642.4929435 89502 303724725 724626 a-Alanine, conf. I
214284.5049 0.7951 -5.3719 3 642.4929435 89502 303724726 724627 a-Alanine, conf. I
214320.7058 2.5429 -5.6133 3 783.0342555 89502 303921775 921676 a-Alanine, conf. I
214320.7058 2.5429 -5.6133 3 783.0342555 89502 303921875 921776 a-Alanine, conf. I
214354.8278 0.0447 -5.5299 3 85.9163177 89502 303291317 281217 a-Alanine, conf. I
214361.2999 0.0313 -5.5291 3 82.4412171 89502 303281415 271315 a-Alanine, conf. I
214389.2387 0.0320 -4.5951 3 82.4412171 89502 303281414 271315 a-Alanine, conf. I
214408.9825 0.2378 -4.8995 3 147.1206231 89502 303381524 371523 a-Alanine, conf. I
214415.9806 4.2739 -5.8480 3 950.9093603 89502 303A02278 A02179 a-Alanine, conf. I
214415.9806 4.2739 -5.8480 3 950.9093603 89502 303A02378 A02279 a-Alanine, conf. I
214416.1922 2.3849 -5.7310 3 395.8944429 89502 30371 269 71 170 a-Alanine, conf. I
214416.1922 2.3849 -5.7310 3 395.8944429 89502 30371 369 71 270 a-Alanine, conf. I
214426.0667 2.0977 -5.5421 3 722.7477537 89502 303891574 891475 a-Alanine, conf. I
214426.0667 2.0977 -5.5421 3 722.7477537 89502 303891674 891575 a-Alanine, conf. I
214456.9285 0.2388 -4.8370 3 84.3409177 89502 303291217 281118 a-Alanine, conf. I
214492.5926 0.0959 -4.8391 3 161.8663261 89502 30343 637 42 636 a-Alanine, conf. I
214492.5926 0.0959 -4.3089 3 161.8663261 89502 30343 637 42 736 a-Alanine, conf. I
214492.5926 0.0959 -4.3089 3 161.8663261 89502 30343 737 42 636 a-Alanine, conf. I
214492.5926 0.0959 -4.8391 3 161.8663261 89502 30343 737 42 736 a-Alanine, conf. I
214500.5524 1.7741 -5.4202 3 533.7426477 89502 30379 871 79 772 a-Alanine, conf. I
214500.5524 1.7741 -5.4202 3 533.7426477 89502 30379 971 79 872 a-Alanine, conf. I
214505.3225 0.1573 -5.0603 3 176.2719237 89502 303392316 382315 a-Alanine, conf. I
214505.3225 0.1573 -5.0603 3 176.2719237 89502 303392317 382316 a-Alanine, conf. I
214511.1040 2.9200 -5.9490 3 1044.7383585 89502 303974948 974849 a-Alanine, conf. I
214511.1040 2.9200 -5.9490 3 1044.7383585 89502 303974949 974850 a-Alanine, conf. I
214539.1295 0.7441 -5.3593 3 629.3810429 89502 303714724 714625 a-Alanine, conf. I
214539.1295 0.7441 -5.3593 3 629.3810429 89502 303714725 714626 a-Alanine, conf. I
214545.3004 0.3428 -4.9137 3 149.2154231 89502 303381622 371621 a-Alanine, conf. I
214633.7116 0.0864 -5.7145 3 75.3769177 89502 30329 623 28 523 a-Alanine, conf. I
214636.5147 0.0863 -5.7145 3 75.3769177 89502 30329 723 28 623 a-Alanine, conf. I
214659.1691 2.0521 -5.4745 3 462.9874453 89502 30375 570 75 471 a-Alanine, conf. I
214659.1691 2.0521 -5.4745 3 462.9874453 89502 30375 670 75 571 a-Alanine, conf. I
214678.4797 1.7504 -5.6434 3 852.5905519 89502 303864838 864739 a-Alanine, conf. I
214678.4797 1.7504 -5.6434 3 852.5905519 89502 303864839 864740 a-Alanine, conf. I
214751.3906 0.4681 -4.7688 3 129.2245219 89502 303361324 351223 a-Alanine, conf. I
214762.1870 0.2040 -4.6602 3 150.3473237 89502 303391227 381326 a-Alanine, conf. I
214782.4879 0.6960 -5.3477 3 616.4545423 89502 303704723 704624 a-Alanine, conf. I
214782.4879 0.6960 -5.3477 3 616.4545423 89502 303704724 704625 a-Alanine, conf. I
214917.4676 0.1718 -5.0322 3 172.8569237 89502 303392218 382217 a-Alanine, conf. I
214917.4690 0.1718 -5.0322 3 172.8569237 89502 303392217 382216 a-Alanine, conf. I
214955.7724 1.2944 -5.3732 3 291.0224321 89502 303532133 522230 a-Alanine, conf. I
214959.1328 4.0879 -6.2145 3 1200.5595633 89502 303A55055 A54956 a-Alanine, conf. I
214959.1328 4.0879 -6.2145 3 1200.5595633 89502 303A55056 A54957 a-Alanine, conf. I
214974.3620 0.4135 -4.8781 3 138.6330225 89502 303371423 361422 a-Alanine, conf. I
214976.2888 6.3140 -6.0933 3 1106.2530645 89502 303A72681 A72582 a-Alanine, conf. I
214976.2889 6.3140 -6.0933 3 1106.2530645 89502 303A72781 A72682 a-Alanine, conf. I
214985.5295 0.0993 -4.4292 3 157.2235249 89502 30341 932 401031 a-Alanine, conf. I
214985.8137 0.0993 -4.8625 3 157.2235249 89502 303411032 401031 a-Alanine, conf. I
214986.2115 0.0993 -4.8625 3 157.2235249 89502 30341 932 40 931 a-Alanine, conf. I
214986.4957 0.0993 -4.4292 3 157.2235249 89502 303411032 40 931 a-Alanine, conf. I
215014.9538 0.6511 -5.3373 3 603.7133417 89502 303694722 694623 a-Alanine, conf. I
215014.9538 0.6511 -5.3373 3 603.7133417 89502 303694723 694624 a-Alanine, conf. I
215015.1197 0.0723 -4.6907 3 85.9163177 89502 303291316 281217 a-Alanine, conf. I
215019.0350 0.3826 -4.7271 3 136.1164225 89502 303371325 361224 a-Alanine, conf. I
215103.2543 1.6603 -5.6196 3 836.8824513 89502 303854837 854738 a-Alanine, conf. I
215103.2543 1.6603 -5.6196 3 836.8824513 89502 303854838 854739 a-Alanine, conf. I
215110.0021 2.7843 -5.9183 3 1026.9823579 89502 303964947 964848 a-Alanine, conf. I
215110.0021 2.7843 -5.9183 3 1026.9823579 89502 303964948 964849 a-Alanine, conf. I
215194.3428 0.0402 -6.2463 3 72.1161165 89502 303271116 26 917 a-Alanine, conf. I
215204.1912 1.7039 -5.4329 3 587.3764495 89502 303821072 82 973 a-Alanine, conf. I
215204.1912 1.7039 -5.4329 3 587.3764495 89502 303821172 821073 a-Alanine, conf. I
215219.5548 5.0578 -6.2369 3 265.4006309 89502 303511833 511536 a-Alanine, conf. I
215232.2988 3.4953 -5.7510 3 885.4387585 89502 303972077 971978 a-Alanine, conf. I
215232.2988 3.4953 -5.7510 3 885.4387585 89502 303972177 972078 a-Alanine, conf. I
215236.8893 0.6094 -5.3280 3 591.1572411 89502 303684721 684622 a-Alanine, conf. I
215236.8893 0.6094 -5.3280 3 591.1572411 89502 303684722 684623 a-Alanine, conf. I
215318.0481 2.5330 -5.9898 3 377.8901423 89502 30370 169 70 070 a-Alanine, conf. I
215318.0481 2.5330 -5.9898 3 377.8901423 89502 30370 269 70 170 a-Alanine, conf. I
215349.7017 0.1652 -4.8665 3 137.4084225 89502 303371324 361323 a-Alanine, conf. I
215385.8535 0.1199 -4.7208 3 91.4945183 89502 303301318 291217 a-Alanine, conf. I
215403.3284 0.1882 -5.0058 3 169.6184237 89502 303392119 382118 a-Alanine, conf. I
215403.3502 0.1883 -5.0058 3 169.6184237 89502 303392118 382117 a-Alanine, conf. I
215448.6455 0.5712 -5.3200 3 578.7860405 89502 303674720 674621 a-Alanine, conf. I
215448.6455 0.5712 -5.3200 3 578.7860405 89502 303674721 674622 a-Alanine, conf. I
215457.9145 0.5063 -4.8002 3 122.4643213 89502 303351323 341222 a-Alanine, conf. I
215477.8899 4.7455 -5.9118 3 993.2019615 89502 303A22379 A22280 a-Alanine, conf. I
215477.8899 4.7455 -5.9118 3 993.2019615 89502 303A22479 A22380 a-Alanine, conf. I
215501.9105 0.1590 -5.5492 3 88.1855183 89502 303301120 291020 a-Alanine, conf. I
215511.4568 1.5735 -5.5966 3 821.3613507 89502 303844836 844737 a-Alanine, conf. I
215511.4568 1.5735 -5.5966 3 821.3613507 89502 303844837 844738 a-Alanine, conf. I
215568.9132 1.2130 -6.1753 3 237.8381291 89502 303481930 481633 a-Alanine, conf. I
215577.8558 0.1350 -4.7963 3 167.4223279 89502 30346 244 45 243 a-Alanine, conf. I
215577.8558 0.1350 -4.1889 3 167.4223279 89502 30346 244 45 343 a-Alanine, conf. I
215577.8558 0.1350 -4.1889 3 167.4223279 89502 30346 344 45 243 a-Alanine, conf. I
215577.8558 0.1350 -4.7963 3 167.4223279 89502 30346 344 45 343 a-Alanine, conf. I
215650.5633 0.5368 -5.3133 3 566.5998399 89502 303664719 664620 a-Alanine, conf. I
215650.5633 0.5368 -5.3133 3 566.5998399 89502 303664720 664621 a-Alanine, conf. I
215656.1061 1.8848 -5.4317 3 513.9011471 89502 30378 771 78 672 a-Alanine, conf. I
215656.1061 1.8848 -5.4317 3 513.9011471 89502 30378 871 78 772 a-Alanine, conf. I
215663.4990 0.2196 -5.5792 3 86.4611183 89502 30330 921 29 821 a-Alanine, conf. I
215681.2942 2.1948 -5.5271 3 444.0575447 89502 30374 470 74 371 a-Alanine, conf. I
215681.2942 2.1948 -5.5271 3 444.0575447 89502 30374 570 74 471 a-Alanine, conf. I
215686.6985 2.6543 -5.8883 3 1009.4146573 89502 303954946 954847 a-Alanine, conf. I
215686.6985 2.6543 -5.8883 3 1009.4146573 89502 303954947 954848 a-Alanine, conf. I
215694.9564 1.7547 -5.4680 3 643.0246513 89502 303851273 851174 a-Alanine, conf. I
215694.9564 1.7547 -5.4680 3 643.0246513 89502 303851373 851274 a-Alanine, conf. I
215699.7224 6.9451 -6.1672 3 1151.4826657 89502 303A92782 A92683 a-Alanine, conf. I
215699.7224 6.9451 -6.1672 3 1151.4826657 89502 303A92882 A92783 a-Alanine, conf. I
215700.5330 3.9031 -6.1793 3 1181.3155627 89502 303A45054 A44955 a-Alanine, conf. I
215700.5330 3.9031 -6.1793 3 1181.3155627 89502 303A45055 A44956 a-Alanine, conf. I
215746.6950 2.8449 -5.6633 3 821.8963567 89502 303941876 941777 a-Alanine, conf. I
215746.6950 2.8449 -5.6633 3 821.8963567 89502 303941976 941877 a-Alanine, conf. I
215806.9774 0.0233 -5.4590 3 73.2126135 89502 3032221 1 2120 1 a-Alanine, conf. I
215806.9774 0.0233 -4.3031 3 73.2126135 89502 3032221 1 2120 2 a-Alanine, conf. I
215806.9774 0.0233 -4.3031 3 73.2126135 89502 3032221 2 2120 1 a-Alanine, conf. I
215806.9774 0.0233 -5.4590 3 73.2126135 89502 3032221 2 2120 2 a-Alanine, conf. I
215842.9735 0.5065 -5.3081 3 554.5983393 89502 303654718 654619 a-Alanine, conf. I
215842.9735 0.5065 -5.3081 3 554.5983393 89502 303654719 654620 a-Alanine, conf. I
215887.0889 0.0974 -4.8254 3 165.3428267 89502 30344 539 43 538 a-Alanine, conf. I
215887.0889 0.0974 -4.2713 3 165.3428267 89502 30344 539 43 638 a-Alanine, conf. I
215887.0889 0.0974 -4.2713 3 165.3428267 89502 30344 639 43 538 a-Alanine, conf. I
215887.0889 0.0974 -4.8254 3 165.3428267 89502 30344 639 43 638 a-Alanine, conf. I
215903.6431 1.4901 -5.5742 3 806.0271501 89502 303834835 834736 a-Alanine, conf. I
215903.6431 1.4901 -5.5742 3 806.0271501 89502 303834836 834737 a-Alanine, conf. I
215914.4794 1.8353 -5.7486 3 464.4069393 89502 303653234 643331 a-Alanine, conf. I
215914.4833 1.8353 -5.7486 3 464.4069393 89502 303653233 643332 a-Alanine, conf. I
215937.6872 1.8083 -5.7084 3 447.8214387 89502 303643134 633231 a-Alanine, conf. I
215937.7061 1.8083 -5.7084 3 447.8214387 89502 303643133 633232 a-Alanine, conf. I
215944.2558 0.0719 -5.7756 3 73.1183177 89502 30329 524 28 424 a-Alanine, conf. I
215944.4171 0.0719 -5.7756 3 73.1183177 89502 30329 624 28 524 a-Alanine, conf. I
215956.0398 1.8651 -5.7893 3 481.3330399 89502 303663334 653431 a-Alanine, conf. I
215956.0406 1.8651 -5.7893 3 481.3330399 89502 303663333 653432 a-Alanine, conf. I
215959.4203 1.9612 -5.5201 3 700.6716531 89502 303881474 881375 a-Alanine, conf. I
215959.4203 1.9612 -5.5201 3 700.6716531 89502 303881574 881475 a-Alanine, conf. I
215982.4270 2.3290 -5.5859 3 760.3012549 89502 303911675 911576 a-Alanine, conf. I
215982.4270 2.3290 -5.5859 3 760.3012549 89502 303911775 911676 a-Alanine, conf. I
215985.0543 0.2070 -4.9809 3 166.5613237 89502 303392020 382019 a-Alanine, conf. I
215985.3622 0.2071 -4.9809 3 166.5613237 89502 303392019 382018 a-Alanine, conf. I
216026.1977 0.4804 -5.3044 3 542.7813387 89502 303644717 644618 a-Alanine, conf. I
216026.1977 0.4804 -5.3044 3 542.7813387 89502 303644718 644619 a-Alanine, conf. I
216037.7821 1.7847 -5.6687 3 431.5771381 89502 303633034 623131 a-Alanine, conf. I
216037.8700 1.7848 -5.6687 3 431.5771381 89502 303633033 623132 a-Alanine, conf. I
216052.6777 1.8974 -5.8306 3 498.5989405 89502 303673434 663531 a-Alanine, conf. I
216052.6779 1.8974 -5.8306 3 498.5989405 89502 303673433 663532 a-Alanine, conf. I
216116.8852 1.9926 -5.3884 3 303.9545327 89502 303542232 532331 a-Alanine, conf. I
216157.9738 2.5027 -5.3300 3 268.8374309 89502 303512031 502130 a-Alanine, conf. I
216196.5361 1.9316 -5.8724 3 516.2041411 89502 303683533 673632 a-Alanine, conf. I
216196.5361 1.9316 -5.8724 3 516.2041411 89502 303683534 673631 a-Alanine, conf. I
216200.5487 0.4590 -5.3024 3 531.1489381 89502 303634716 634617 a-Alanine, conf. I
216200.5487 0.4590 -5.3024 3 531.1489381 89502 303634717 634618 a-Alanine, conf. I
216210.6125 0.1060 -4.8757 3 150.3473237 89502 303391327 381326 a-Alanine, conf. I
216218.8764 0.1094 -5.5274 3 89.7700183 89502 303301219 291119 a-Alanine, conf. I
216230.1398 1.7653 -5.6295 3 415.6748375 89502 303622934 613031 a-Alanine, conf. I
216230.5335 1.7655 -5.6295 3 415.6748375 89502 303622933 613032 a-Alanine, conf. I
216236.7450 0.1255 -5.5044 3 54.4633147 89502 30324 916 23 617 a-Alanine, conf. I
216242.0016 2.5297 -5.8589 3 992.0351567 89502 303944945 944846 a-Alanine, conf. I
216242.0016 2.5297 -5.8589 3 992.0351567 89502 303944946 944847 a-Alanine, conf. I
216261.6324 0.5614 -6.1944 3 231.3251285 89502 303472028 471731 a-Alanine, conf. I
216272.1558 0.1010 -4.3770 3 161.3696255 89502 30342 834 41 933 a-Alanine, conf. I
216272.1626 0.1010 -4.8507 3 161.3696255 89502 30342 934 41 933 a-Alanine, conf. I
216272.1730 0.1010 -4.8507 3 161.3696255 89502 30342 834 41 833 a-Alanine, conf. I
216272.1798 0.1010 -4.3770 3 161.3696255 89502 30342 934 41 833 a-Alanine, conf. I
216280.3462 1.4097 -5.5527 3 790.8796495 89502 303824834 824735 a-Alanine, conf. I
216280.3462 1.4097 -5.5527 3 790.8796495 89502 303824835 824736 a-Alanine, conf. I
216332.4711 7.6234 -6.2438 3 1197.5394669 89502 303B12883 B12784 a-Alanine, conf. I
216332.4712 7.6234 -6.2438 3 1197.5394669 89502 303B12983 B12884 a-Alanine, conf. I
216366.3306 0.4425 -5.3022 3 519.7008375 89502 303624715 624616 a-Alanine, conf. I
216366.3306 0.4425 -5.3022 3 519.7008375 89502 303624716 624617 a-Alanine, conf. I
216381.1652 1.9677 -5.9147 3 534.1483417 89502 303693633 683732 a-Alanine, conf. I
216381.1652 1.9677 -5.9147 3 534.1483417 89502 303693634 683731 a-Alanine, conf. I
216414.9020 3.7269 -6.1447 3 1162.2607621 89502 303A35053 A34954 a-Alanine, conf. I
216414.9020 3.7269 -6.1447 3 1162.2607621 89502 303A35054 A34955 a-Alanine, conf. I
216446.2246 0.2807 -4.6827 3 143.1275231 89502 303381326 371225 a-Alanine, conf. I
216448.1447 3.8987 -5.8098 3 926.4470597 89502 303992178 992079 a-Alanine, conf. I
216448.1447 3.8987 -5.8098 3 926.4470597 89502 303992278 992179 a-Alanine, conf. I
216458.4413 1.7685 -5.4306 3 566.8509489 89502 30381 972 81 873 a-Alanine, conf. I
216458.4413 1.7685 -5.4306 3 566.8509489 89502 303811072 81 973 a-Alanine, conf. I
216461.5155 5.2552 -5.9784 3 1036.3334627 89502 303A42480 A42381 a-Alanine, conf. I
216461.5155 5.2552 -5.9784 3 1036.3334627 89502 303A42580 A42481 a-Alanine, conf. I
216523.8396 0.4309 -5.3040 3 508.4370369 89502 303614714 614615 a-Alanine, conf. I
216523.8396 0.4309 -5.3040 3 508.4370369 89502 303614715 614616 a-Alanine, conf. I
216533.3487 0.1120 -5.7134 3 47.2405141 89502 30323 617 22 518 a-Alanine, conf. I
216534.5011 1.7511 -5.5908 3 400.1157369 89502 303612834 602931 a-Alanine, conf. I
216536.1976 1.7519 -5.5907 3 400.1157369 89502 303612833 602932 a-Alanine, conf. I
216541.7797 0.0175 -5.4696 3 74.1648141 89502 3032320 3 2219 3 a-Alanine, conf. I
216541.7797 0.0175 -4.3313 3 74.1648141 89502 3032320 3 2219 4 a-Alanine, conf. I
216541.7797 0.0175 -4.3313 3 74.1648141 89502 3032320 4 2219 3 a-Alanine, conf. I
216541.7797 0.0175 -5.4696 3 74.1648141 89502 3032320 4 2219 4 a-Alanine, conf. I
216579.7923 0.4622 -6.1714 3 240.3228291 89502 303482029 481732 a-Alanine, conf. I
216601.2118 2.0053 -5.9576 3 552.4309423 89502 303703733 693832 a-Alanine, conf. I
216601.2118 2.0053 -5.9576 3 552.4309423 89502 303703734 693831 a-Alanine, conf. I
216642.0779 1.3325 -5.5318 3 775.9186489 89502 303814833 814734 a-Alanine, conf. I
216642.0779 1.3325 -5.5318 3 775.9186489 89502 303814834 814735 a-Alanine, conf. I
216664.1581 2.3426 -5.6083 3 425.3495441 89502 30373 370 73 271 a-Alanine, conf. I
216664.1581 2.3426 -5.6083 3 425.3495441 89502 30373 470 73 371 a-Alanine, conf. I
216666.5773 0.4864 -4.8138 3 115.8585207 89502 303341322 331221 a-Alanine, conf. I
216673.3639 0.4244 -5.3082 3 497.3573363 89502 303604713 604614 a-Alanine, conf. I
216673.3639 0.4244 -5.3082 3 497.3573363 89502 303604714 604615 a-Alanine, conf. I
216695.2927 0.2289 -4.9572 3 163.6921237 89502 303391921 381920 a-Alanine, conf. I
216698.9394 0.2294 -4.9572 3 163.6922237 89502 303391920 381919 a-Alanine, conf. I
216767.3779 2.0121 -5.4528 3 494.2770465 89502 30377 671 77 572 a-Alanine, conf. I
216767.3779 2.0121 -5.4528 3 494.2770465 89502 30377 771 77 672 a-Alanine, conf. I
216776.6781 2.4101 -5.8302 3 974.8435561 89502 303934944 934845 a-Alanine, conf. I
216776.6781 2.4101 -5.8302 3 974.8435561 89502 303934945 934846 a-Alanine, conf. I
216815.1845 0.4227 -5.3148 3 486.4616357 89502 303594712 594613 a-Alanine, conf. I
216815.1845 0.4227 -5.3148 3 486.4616357 89502 303594713 594614 a-Alanine, conf. I
216815.9190 0.0545 -5.5149 3 91.4945183 89502 303301317 291217 a-Alanine, conf. I
216852.1894 2.0443 -6.0010 3 571.0516429 89502 303713833 703932 a-Alanine, conf. I
216852.1894 2.0443 -6.0010 3 571.0516429 89502 303713834 703931 a-Alanine, conf. I
216878.2201 2.1112 -5.1256 3 197.0521267 89502 303441628 431727 a-Alanine, conf. I
216909.7362 1.3035 -6.0654 3 552.0440441 89502 303732845 732548 a-Alanine, conf. I
216922.9304 0.1676 -5.5748 3 86.4761183 89502 303301021 29 921 a-Alanine, conf. I
216949.5752 0.4255 -5.3244 3 475.7498351 89502 303584711 584612 a-Alanine, conf. I
216949.5752 0.4255 -5.3244 3 475.7498351 89502 303584712 584613 a-Alanine, conf. I
216963.4865 0.1725 -4.7819 3 170.0873285 89502 30347 146 46 145 a-Alanine, conf. I
216963.4865 0.1725 -4.1601 3 170.0873285 89502 30347 146 46 245 a-Alanine, conf. I
216963.4865 0.1725 -4.1601 3 170.0873285 89502 30347 246 46 145 a-Alanine, conf. I
216963.4865 0.1725 -4.7819 3 170.0873285 89502 30347 246 46 245 a-Alanine, conf. I
216976.2176 1.7431 -5.5525 3 384.9008363 89502 303602734 592831 a-Alanine, conf. I
216983.2250 1.7463 -5.5524 3 384.9008363 89502 303602733 592832 a-Alanine, conf. I
216989.3298 1.2582 -5.5118 3 761.1441483 89502 303804832 804733 a-Alanine, conf. I
216989.3298 1.2582 -5.5118 3 761.1441483 89502 303804833 804734 a-Alanine, conf. I
216991.6558 9.9404 -6.0913 3 435.1825393 89502 303652441 652144 a-Alanine, conf. I
217004.4058 0.1022 -5.7122 3 47.2403141 89502 30323 717 22 418 a-Alanine, conf. I
217050.1430 0.0705 -5.8552 3 70.7182177 89502 30329 425 28 325 a-Alanine, conf. I
217050.1499 0.0705 -5.8552 3 70.7182177 89502 30329 525 28 425 a-Alanine, conf. I
217054.8883 1.7485 -5.4561 3 621.8223507 89502 303841173 841074 a-Alanine, conf. I
217054.8883 1.7485 -5.4561 3 621.8223507 89502 303841273 841174 a-Alanine, conf. I
217076.8030 0.4325 -5.3373 3 465.2218345 89502 303574710 574611 a-Alanine, conf. I
217076.8030 0.4325 -5.3373 3 465.2218345 89502 303574711 574612 a-Alanine, conf. I
217103.3072 3.5588 -6.1107 3 1143.3949615 89502 303A25052 A24953 a-Alanine, conf. I
217103.3072 3.5588 -6.1107 3 1143.3949615 89502 303A25053 A24954 a-Alanine, conf. I
217105.7210 3.1815 -5.7167 3 861.6103579 89502 303961977 961878 a-Alanine, conf. I
217105.7210 3.1815 -5.7167 3 861.6103579 89502 303962077 961978 a-Alanine, conf. I
217130.3051 2.0846 -6.0450 3 590.0100435 89502 303723933 714032 a-Alanine, conf. I
217130.3051 2.0846 -6.0450 3 590.0100435 89502 303723934 714031 a-Alanine, conf. I
217147.9855 0.1018 -4.5413 3 155.2998243 89502 303401129 391228 a-Alanine, conf. I
217158.3372 7.9054 -6.1498 3 345.2048351 89502 303582137 581840 a-Alanine, conf. I
217183.3932 0.7336 -6.2254 3 222.4914279 89502 303462027 461730 a-Alanine, conf. I
217197.1283 0.4432 -5.3541 3 454.8775339 89502 3035647 9 564610 a-Alanine, conf. I
217197.1283 0.4432 -5.3541 3 454.8775339 89502 303564710 564611 a-Alanine, conf. I
217238.9311 0.1003 -4.8677 3 155.2998243 89502 303401229 391228 a-Alanine, conf. I
217262.1365 0.0165 -5.4791 3 75.4710147 89502 3032419 5 2318 5 a-Alanine, conf. I
217262.1365 0.0165 -4.3615 3 75.4710147 89502 3032419 5 2318 6 a-Alanine, conf. I
217262.1365 0.0165 -4.3615 3 75.4710147 89502 3032419 6 2318 5 a-Alanine, conf. I
217262.1365 0.0165 -5.4791 3 75.4710147 89502 3032419 6 2318 6 a-Alanine, conf. I
217287.4573 0.1036 -4.8117 3 168.6241273 89502 30345 441 44 440 a-Alanine, conf. I
217287.4573 0.1036 -4.2370 3 168.6241273 89502 30345 441 44 540 a-Alanine, conf. I
217287.4573 0.1036 -4.2370 3 168.6241273 89502 30345 541 44 440 a-Alanine, conf. I
217287.4573 0.1036 -4.8117 3 168.6241273 89502 30345 541 44 540 a-Alanine, conf. I
217291.4560 2.2953 -5.8021 3 957.8398555 89502 303924943 924844 a-Alanine, conf. I
217291.4560 2.2953 -5.8021 3 957.8398555 89502 303924944 924845 a-Alanine, conf. I
217310.8052 0.4570 -5.3755 3 444.7167333 89502 3035547 8 5546 9 a-Alanine, conf. I
217310.8052 0.4570 -5.3755 3 444.7167333 89502 3035547 9 554610 a-Alanine, conf. I
217322.5750 1.1867 -5.4925 3 746.5558477 89502 303794831 794732 a-Alanine, conf. I
217322.5750 1.1867 -5.4925 3 746.5558477 89502 303794832 794733 a-Alanine, conf. I
217338.6953 1.6595 -6.2206 3 226.3686285 89502 303471830 471533 a-Alanine, conf. I
217339.5428 0.1000 -4.8673 3 155.2934243 89502 303401129 391128 a-Alanine, conf. I
217364.3042 5.8049 -6.0478 3 1080.3010639 89502 303A62581 A62482 a-Alanine, conf. I
217364.3042 5.8049 -6.0478 3 1080.3010639 89502 303A62681 A62582 a-Alanine, conf. I
217409.4283 0.2144 -6.0259 3 254.4235243 89502 3034038 2 3938 1 a-Alanine, conf. I
217409.4283 0.2144 -6.0259 3 254.4235243 89502 3034038 3 3938 2 a-Alanine, conf. I
217418.0818 0.4733 -5.4027 3 434.7394327 89502 3035447 7 5446 8 a-Alanine, conf. I
217418.0818 0.4733 -5.4027 3 434.7394327 89502 3035447 8 5446 9 a-Alanine, conf. I
217429.2191 0.2091 -4.7510 3 97.2380189 89502 303311319 301218 a-Alanine, conf. I
217430.4884 0.1005 -4.5401 3 155.2934243 89502 303401229 391128 a-Alanine, conf. I
217432.3274 2.1262 -6.0896 3 609.3059441 89502 303734033 724132 a-Alanine, conf. I
217432.3274 2.1262 -6.0896 3 609.3059441 89502 303734034 724131 a-Alanine, conf. I
217432.8989 1.8697 -5.5009 3 678.8002525 89502 303871374 871275 a-Alanine, conf. I
217432.8989 1.8697 -5.5009 3 678.8002525 89502 303871474 871375 a-Alanine, conf. I
217468.9577 0.1027 -4.8698 3 150.2570237 89502 303391227 381226 a-Alanine, conf. I
217475.4216 2.5964 -5.6333 3 798.7113561 89502 303931776 931677 a-Alanine, conf. I
217475.4216 2.5964 -5.6333 3 798.7113561 89502 303931876 931777 a-Alanine, conf. I
217490.9075 0.1963 -5.8429 3 248.5606243 89502 3034037 3 3937 2 a-Alanine, conf. I
217490.9075 0.1963 -5.8429 3 248.5606243 89502 3034037 4 3937 3 a-Alanine, conf. I
217519.2001 0.4919 -5.4370 3 424.9455321 89502 3035347 6 5346 7 a-Alanine, conf. I
217519.2001 0.4919 -5.4370 3 424.9455321 89502 3035347 7 5346 8 a-Alanine, conf. I
217560.9654 0.0390 -5.5625 3 55.7775147 89502 303241015 23 716 a-Alanine, conf. I
217578.1752 0.2544 -4.9344 3 161.0203237 89502 303391822 381821 a-Alanine, conf. I
217578.3937 2.1540 -5.5608 3 737.7688543 89502 303901575 901476 a-Alanine, conf. I
217578.3937 2.1540 -5.5608 3 737.7688543 89502 303901675 901576 a-Alanine, conf. I
217580.1709 0.1794 -5.7114 3 242.8567243 89502 3034036 4 3936 3 a-Alanine, conf. I
217580.1709 0.1794 -5.7114 3 242.8567243 89502 3034036 5 3936 4 a-Alanine, conf. I
217586.6762 1.7420 -5.5147 3 370.0317357 89502 303592634 582731 a-Alanine, conf. I
217590.8474 4.3378 -5.8715 3 968.2996609 89502 303A12279 A12180 a-Alanine, conf. I
217590.8474 4.3378 -5.8715 3 968.2996609 89502 303A12379 A12280 a-Alanine, conf. I
217609.3811 2.4934 -5.7412 3 406.8650435 89502 30372 270 72 171 a-Alanine, conf. I
217609.3811 2.4934 -5.7412 3 406.8650435 89502 30372 370 72 271 a-Alanine, conf. I
217613.8384 0.2589 -4.9343 3 161.0212237 89502 303391821 381820 a-Alanine, conf. I
217614.3120 1.7533 -5.5146 3 370.0317357 89502 303592633 582732 a-Alanine, conf. I
217614.3965 0.5121 -5.4805 3 415.3348315 89502 3035247 5 5246 6 a-Alanine, conf. I
217614.3965 0.5121 -5.4805 3 415.3348315 89502 3035247 6 5246 7 a-Alanine, conf. I
217619.9052 0.1017 -4.3319 3 165.2986261 89502 30343 736 42 835 a-Alanine, conf. I
217619.9053 0.1017 -4.8382 3 165.2986261 89502 30343 836 42 835 a-Alanine, conf. I
217619.9055 0.1017 -4.8382 3 165.2986261 89502 30343 736 42 735 a-Alanine, conf. I
217619.9056 0.1017 -4.3319 3 165.2986261 89502 30343 836 42 735 a-Alanine, conf. I
217642.2692 1.1181 -5.4740 3 732.1536471 89502 303784830 784731 a-Alanine, conf. I
217642.2692 1.1181 -5.4740 3 732.1536471 89502 303784831 784732 a-Alanine, conf. I
217664.7392 1.8620 -5.4342 3 546.5393483 89502 30380 872 80 773 a-Alanine, conf. I
217664.7392 1.8620 -5.4342 3 546.5393483 89502 30380 972 80 873 a-Alanine, conf. I
217678.1282 0.1641 -5.6083 3 237.3123243 89502 3034035 5 3935 4 a-Alanine, conf. I
217678.1282 0.1641 -5.6083 3 237.3123243 89502 3034035 6 3935 5 a-Alanine, conf. I
217703.9018 0.5336 -5.5365 3 405.9072309 89502 3035147 4 5146 5 a-Alanine, conf. I
217703.9018 0.5336 -5.5365 3 405.9072309 89502 3035147 5 5146 6 a-Alanine, conf. I
217755.4832 2.1688 -6.1348 3 628.9390447 89502 303744133 734232 a-Alanine, conf. I
217755.4832 2.1688 -6.1348 3 628.9390447 89502 303744134 734231 a-Alanine, conf. I
217766.7517 3.3983 -6.0774 3 1124.7179609 89502 303A15051 A14952 a-Alanine, conf. I
217766.7517 3.3983 -6.0774 3 1124.7179609 89502 303A15052 A14953 a-Alanine, conf. I
217768.6352 0.4168 -4.8068 3 109.4353201 89502 303331321 321220 a-Alanine, conf. I
217785.8335 0.1506 -5.5233 3 231.9276243 89502 3034034 6 3934 5 a-Alanine, conf. I
217785.8335 0.1506 -5.5233 3 231.9276243 89502 3034034 7 3934 6 a-Alanine, conf. I
217787.0281 2.1850 -5.7746 3 941.0237549 89502 303914942 914843 a-Alanine, conf. I
217787.0281 2.1850 -5.7746 3 941.0237549 89502 303914943 914844 a-Alanine, conf. I
217787.9417 0.5562 -5.6106 3 396.6627303 89502 3035047 3 5046 4 a-Alanine, conf. I
217787.9417 0.5562 -5.6106 3 396.6627303 89502 3035047 4 5046 5 a-Alanine, conf. I
217793.0535 0.3838 -5.3648 3 64.8513159 89502 30326 917 25 818 a-Alanine, conf. I
217836.3051 2.1512 -5.4866 3 474.8717459 89502 30376 571 76 472 a-Alanine, conf. I
217836.3051 2.1512 -5.4866 3 474.8717459 89502 30376 671 76 572 a-Alanine, conf. I
217857.5526 0.2027 -5.4767 3 102.1683195 89502 303321220 311120 a-Alanine, conf. I
217866.7364 0.5794 -5.7129 3 387.6012297 89502 3034947 2 4946 3 a-Alanine, conf. I
217866.7364 0.5794 -5.7129 3 387.6012297 89502 3034947 3 4946 4 a-Alanine, conf. I
217904.5160 0.1393 -5.4509 3 226.7032243 89502 3034033 7 3933 6 a-Alanine, conf. I
217904.5160 0.1393 -5.4509 3 226.7032243 89502 3034033 8 3933 7 a-Alanine, conf. I
217920.5419 0.0565 -6.0808 3 39.9713135 89502 30322 418 21 319 a-Alanine, conf. I
217926.8996 0.0564 -6.0808 3 39.9713135 89502 30322 518 21 219 a-Alanine, conf. I
217940.5010 0.6032 -5.8667 3 378.7225291 89502 3034847 1 4846 2 a-Alanine, conf. I
217940.5010 0.6032 -5.8667 3 378.7225291 89502 3034847 2 4846 3 a-Alanine, conf. I
217948.8516 1.0524 -5.4564 3 717.9374465 89502 303774829 774730 a-Alanine, conf. I
217948.8516 1.0524 -5.4564 3 717.9374465 89502 303774830 774731 a-Alanine, conf. I
217953.3607 0.0189 -5.4874 3 77.1373153 89502 3032518 7 2417 7 a-Alanine, conf. I
217953.3607 0.0189 -4.3946 3 77.1373153 89502 3032518 7 2417 8 a-Alanine, conf. I
217953.3607 0.0189 -4.3946 3 77.1373153 89502 3032518 8 2417 7 a-Alanine, conf. I
217953.3607 0.0189 -5.4874 3 77.1373153 89502 3032518 8 2417 8 a-Alanine, conf. I
218003.5410 0.0820 -5.9632 3 68.1827177 89502 30329 326 28 226 a-Alanine, conf. I
218003.5412 0.0820 -5.9632 3 68.1827177 89502 30329 426 28 326 a-Alanine, conf. I
218009.4458 0.6273 -6.1456 3 370.0265285 89502 3034747 0 4746 1 a-Alanine, conf. I
218009.4458 0.6273 -6.1456 3 370.0265285 89502 3034747 1 4746 2 a-Alanine, conf. I
218035.6170 0.1304 -5.3878 3 221.6394243 89502 3034032 8 3932 7 a-Alanine, conf. I
218035.6170 0.1304 -5.3878 3 221.6394243 89502 3034032 9 3932 8 a-Alanine, conf. I
218097.3781 2.2126 -6.1806 3 648.9090453 89502 303754233 744332 a-Alanine, conf. I
218097.3781 2.2126 -6.1806 3 648.9090453 89502 303754234 744331 a-Alanine, conf. I
218107.5145 0.8530 -6.2458 3 205.7618273 89502 303451629 441727 a-Alanine, conf. I
218132.6564 0.4760 -4.8824 3 147.2818231 89502 303381523 371522 a-Alanine, conf. I
218170.4953 0.3162 -4.7829 3 103.2214195 89502 303321320 311219 a-Alanine, conf. I
218180.8384 0.1244 -5.3320 3 216.7368243 89502 3034031 9 3931 8 a-Alanine, conf. I
218180.8384 0.1244 -5.3320 3 216.7368243 89502 303403110 3931 9 a-Alanine, conf. I
218183.5146 6.3968 -6.1199 3 1125.1018651 89502 303A82682 A82583 a-Alanine, conf. I
218183.5146 6.3968 -6.1199 3 1125.1018651 89502 303A82782 A82683 a-Alanine, conf. I
218242.7461 0.9893 -5.4396 3 703.9069459 89502 303764828 764729 a-Alanine, conf. I
218242.7461 0.9893 -5.4396 3 703.9069459 89502 303764829 764730 a-Alanine, conf. I
218264.0542 2.0790 -5.7479 3 924.3950543 89502 303904941 904842 a-Alanine, conf. I
218264.0542 2.0790 -5.7479 3 924.3950543 89502 303904942 904843 a-Alanine, conf. I
218267.3596 0.1032 -4.4659 3 159.9749249 89502 303411031 401130 a-Alanine, conf. I
218271.1989 0.1032 -4.8588 3 159.9749249 89502 303411131 401130 a-Alanine, conf. I
218276.1141 0.1032 -4.8587 3 159.9746249 89502 303411031 401030 a-Alanine, conf. I
218279.9534 0.1032 -4.4658 3 159.9746249 89502 303411131 401030 a-Alanine, conf. I
218334.9796 0.6499 -6.1574 3 249.4778297 89502 303492030 491733 a-Alanine, conf. I
218336.6057 0.2227 -4.7674 3 172.5648291 89502 30348 048 47 047 a-Alanine, conf. I
218336.6057 0.2227 -4.1330 3 172.5648291 89502 30348 048 47 147 a-Alanine, conf. I
218336.6057 0.2227 -4.1330 3 172.5648291 89502 30348 148 47 047 a-Alanine, conf. I
218336.6057 0.2227 -4.7674 3 172.5648291 89502 30348 148 47 147 a-Alanine, conf. I
218342.2047 0.1215 -5.2818 3 211.9960243 89502 303403010 3930 9 a-Alanine, conf. I
218342.2047 0.1215 -5.2818 3 211.9960243 89502 303403011 393010 a-Alanine, conf. I
218362.7378 1.7836 -5.4483 3 600.8304501 89502 303831073 83 974 a-Alanine, conf. I
218362.7378 1.7836 -5.4483 3 600.8304501 89502 303831173 831074 a-Alanine, conf. I
218396.0028 3.5529 -5.7733 3 902.1736591 89502 303982078 981979 a-Alanine, conf. I
218396.0028 3.5529 -5.7733 3 902.1736591 89502 303982178 982079 a-Alanine, conf. I
218399.2745 1.7454 -5.4775 3 355.5104351 89502 303582534 572631 a-Alanine, conf. I
218406.1807 3.2447 -6.0446 3 1106.2295603 89502 303A05050 A04951 a-Alanine, conf. I
218406.1807 3.2447 -6.0446 3 1106.2295603 89502 303A05051 A04952 a-Alanine, conf. I
218455.9321 2.2573 -6.2270 3 669.2157459 89502 303764333 754432 a-Alanine, conf. I
218455.9321 2.2573 -6.2270 3 669.2157459 89502 303764334 754431 a-Alanine, conf. I
218502.7983 1.7839 -5.4770 3 355.5103351 89502 303582533 572632 a-Alanine, conf. I
218518.4827 2.6456 -5.9995 3 388.6054429 89502 30371 170 71 071 a-Alanine, conf. I
218518.4827 2.6456 -5.9995 3 388.6054429 89502 30371 270 71 171 a-Alanine, conf. I
218522.1449 0.1218 -5.2365 3 207.4178243 89502 303402911 392910 a-Alanine, conf. I
218522.1449 0.1218 -5.2365 3 207.4178243 89502 303402912 392911 a-Alanine, conf. I
218524.3619 0.9291 -5.4238 3 690.0622453 89502 303754827 754728 a-Alanine, conf. I
218524.3619 0.9291 -5.4238 3 690.0622453 89502 303754828 754729 a-Alanine, conf. I
218589.6253 0.0223 -4.4317 3 79.1722159 89502 303261710 2516 9 a-Alanine, conf. I
218589.6257 0.0223 -5.4945 3 79.1722159 89502 3032617 9 2516 9 a-Alanine, conf. I
218589.6278 0.0223 -5.4945 3 79.1722159 89502 303261710 251610 a-Alanine, conf. I
218589.6282 0.0223 -4.4317 3 79.1722159 89502 3032617 9 251610 a-Alanine, conf. I
218653.2449 0.2794 -4.9124 3 158.5585237 89502 303391723 381722 a-Alanine, conf. I
218658.2224 4.8138 -5.9362 3 1010.9939621 89502 303A32380 A32281 a-Alanine, conf. I
218658.2224 4.8138 -5.9362 3 1010.9939621 89502 303A32480 A32381 a-Alanine, conf. I
218686.2597 0.1185 -4.7978 3 171.7135279 89502 30346 343 45 342 a-Alanine, conf. I
218686.2597 0.1185 -4.2053 3 171.7135279 89502 30346 343 45 442 a-Alanine, conf. I
218686.2597 0.1185 -4.2053 3 171.7135279 89502 30346 443 45 342 a-Alanine, conf. I
218686.2597 0.1185 -4.7978 3 171.7135279 89502 30346 443 45 442 a-Alanine, conf. I
218723.1640 1.9770 -5.7217 3 907.9536537 89502 303894940 894841 a-Alanine, conf. I
218723.1640 1.9770 -5.7217 3 907.9536537 89502 303894941 894842 a-Alanine, conf. I
218723.6011 0.1253 -5.1950 3 203.0030243 89502 303402812 392811 a-Alanine, conf. I
218723.6011 0.1253 -5.1950 3 203.0030243 89502 303402813 392812 a-Alanine, conf. I
218794.0950 0.8717 -5.4088 3 676.4030447 89502 303744826 744727 a-Alanine, conf. I
218794.0950 0.8717 -5.4088 3 676.4030447 89502 303744827 744728 a-Alanine, conf. I
218795.1180 0.1520 -5.6063 3 84.5909183 89502 30330 822 29 722 a-Alanine, conf. I
218824.6404 4.1647 -5.7272 3 330.0877345 89502 303572038 562135 a-Alanine, conf. I
218825.2676 1.9778 -5.4453 3 526.4434477 89502 30379 772 79 673 a-Alanine, conf. I
218825.2676 1.9778 -5.4453 3 526.4434477 89502 30379 872 79 773 a-Alanine, conf. I
218829.3287 2.3031 -6.2739 3 689.8588465 89502 303774433 764532 a-Alanine, conf. I
218829.3287 2.3031 -6.2739 3 689.8588465 89502 303774434 764531 a-Alanine, conf. I
218838.1056 0.1023 -6.1227 3 65.5163177 89502 30329 227 28 127 a-Alanine, conf. I
218838.1056 0.1023 -6.1227 3 65.5163177 89502 30329 327 28 227 a-Alanine, conf. I
218849.6063 1.8247 -5.4848 3 657.1354519 89502 303861274 861175 a-Alanine, conf. I
218849.6063 1.8247 -5.4848 3 657.1354519 89502 303861374 861275 a-Alanine, conf. I
218864.6927 2.2981 -5.5388 3 455.6869453 89502 30375 471 75 372 a-Alanine, conf. I
218864.6927 2.2981 -5.5388 3 455.6869453 89502 30375 571 75 472 a-Alanine, conf. I
218886.0125 7.0215 -6.1207 3 389.2465369 89502 303612536 612239 a-Alanine, conf. I
218903.4857 2.8993 -5.6843 3 837.9755573 89502 303951877 951778 a-Alanine, conf. I
218903.4857 2.8993 -5.6843 3 837.9755573 89502 303951977 951878 a-Alanine, conf. I
218916.1960 7.0334 -6.1946 3 1170.7328663 89502 303B02783 B02684 a-Alanine, conf. I
218916.1960 7.0334 -6.1946 3 1170.7328663 89502 303B02883 B02784 a-Alanine, conf. I
218917.3831 0.1950 -4.6403 3 150.2570237 89502 303391327 381226 a-Alanine, conf. I
218926.8621 0.1543 -4.8720 3 152.3329237 89502 303391426 381425 a-Alanine, conf. I
218931.8949 0.3105 -4.9113 3 158.5661237 89502 303391722 381721 a-Alanine, conf. I
218950.1769 0.1315 -5.1569 3 198.7527243 89502 303402713 392712 a-Alanine, conf. I
218950.1769 0.1315 -5.1569 3 198.7527243 89502 303402714 392713 a-Alanine, conf. I
218963.8164 0.1442 -5.6057 3 84.5924183 89502 30330 922 29 822 a-Alanine, conf. I
218971.3263 4.8165 -6.0777 3 538.0852435 89502 303722844 722547 a-Alanine, conf. I
218999.4747 0.1020 -4.8254 3 169.0210267 89502 30344 638 43 637 a-Alanine, conf. I
218999.4747 0.1020 -4.2919 3 169.0210267 89502 30344 638 43 737 a-Alanine, conf. I
218999.4747 0.1020 -4.2919 3 169.0210267 89502 30344 738 43 637 a-Alanine, conf. I
218999.4747 0.1020 -4.8254 3 169.0210267 89502 30344 738 43 737 a-Alanine, conf. I
219022.4863 3.0977 -6.0125 3 1087.9294597 89502 303995049 994950 a-Alanine, conf. I
219022.4863 3.0977 -6.0125 3 1087.9294597 89502 303995050 994951 a-Alanine, conf. I
219024.8859 1.0667 -4.8824 3 169.1397249 89502 303411427 401526 a-Alanine, conf. I
219052.3281 0.8172 -5.3949 3 662.9292441 89502 303734825 734726 a-Alanine, conf. I
219052.3281 0.8172 -5.3949 3 662.9292441 89502 303734826 734727 a-Alanine, conf. I
219084.4439 4.9354 -6.1879 3 306.7587327 89502 303542331 542034 a-Alanine, conf. I
219090.9827 0.8616 -6.2629 3 213.8294273 89502 303452026 451729 a-Alanine, conf. I
219112.2154 2.0221 -5.5383 3 715.4389537 89502 303891475 891376 a-Alanine, conf. I
219112.2154 2.0221 -5.5383 3 715.4389537 89502 303891575 891476 a-Alanine, conf. I
219123.4573 0.0262 -4.4749 3 81.5882165 89502 303271612 261511 a-Alanine, conf. I
219123.4942 0.0262 -5.5003 3 81.5882165 89502 303271611 261511 a-Alanine, conf. I
219123.6646 0.0262 -5.5003 3 81.5882165 89502 303271612 261512 a-Alanine, conf. I
219123.7015 0.0262 -4.4749 3 81.5882165 89502 303271611 261512 a-Alanine, conf. I
219135.7801 2.3843 -5.6055 3 775.7246555 89502 303921676 921577 a-Alanine, conf. I
219135.7801 2.3843 -5.6055 3 775.7246555 89502 303921776 921677 a-Alanine, conf. I
219164.9588 1.8788 -5.6963 3 891.6993531 89502 303884939 884840 a-Alanine, conf. I
219164.9588 1.8788 -5.6963 3 891.6993531 89502 303884940 884841 a-Alanine, conf. I
219200.0162 0.0320 -4.5995 3 87.6635177 89502 303291416 281315 a-Alanine, conf. I
219205.4102 0.3231 -5.5378 3 93.6549189 89502 303311021 30 921 a-Alanine, conf. I
219206.3429 0.1403 -5.1218 3 194.6682243 89502 303402614 392613 a-Alanine, conf. I
219206.3429 0.1403 -5.1218 3 194.6682243 89502 303402615 392614 a-Alanine, conf. I
219228.4803 0.5057 -4.7422 3 159.6355243 89502 303401327 391426 a-Alanine, conf. I
219272.7858 0.0325 -5.5083 3 87.6635177 89502 303291415 281315 a-Alanine, conf. I
219299.4320 0.7656 -5.3819 3 649.6406435 89502 303724824 724725 a-Alanine, conf. I
219299.4320 0.7656 -5.3819 3 649.6406435 89502 303724825 724726 a-Alanine, conf. I
219430.1279 1.7427 -5.4411 3 341.3395345 89502 303572434 562531 a-Alanine, conf. I
219454.8373 0.0302 -4.5279 3 84.4056171 89502 303281514 271413 a-Alanine, conf. I
219456.9557 0.0302 -5.5047 3 84.4056171 89502 303281513 271413 a-Alanine, conf. I
219464.9691 0.0304 -5.5047 3 84.4052171 89502 303281514 271414 a-Alanine, conf. I
219467.0876 0.0304 -4.5279 3 84.4052171 89502 303281513 271414 a-Alanine, conf. I
219470.5090 0.1058 -4.4069 3 164.3947255 89502 30342 933 411032 a-Alanine, conf. I
219470.6261 0.1058 -4.8483 3 164.3947255 89502 303421033 411032 a-Alanine, conf. I
219470.7932 0.1058 -4.8483 3 164.3946255 89502 30342 933 41 932 a-Alanine, conf. I
219470.9103 0.1058 -4.4069 3 164.3946255 89502 303421033 41 932 a-Alanine, conf. I
219487.0017 0.0357 -5.5076 3 87.6539177 89502 303291416 281316 a-Alanine, conf. I
219497.7301 0.1512 -5.0891 3 190.7511243 89502 303402515 392514 a-Alanine, conf. I
219497.7301 0.1512 -5.0891 3 190.7511243 89502 303402516 392515 a-Alanine, conf. I
219535.7660 0.7172 -5.3700 3 636.5372429 89502 303714823 714724 a-Alanine, conf. I
219535.7660 0.7172 -5.3700 3 636.5372429 89502 303714824 714725 a-Alanine, conf. I
219549.8017 0.5265 -5.3820 3 288.2955321 89502 303532034 522131 a-Alanine, conf. I
219559.7713 0.0379 -4.5984 3 87.6539177 89502 303291415 281316 a-Alanine, conf. I
219566.5579 0.1760 -5.5817 3 52.9082147 89502 30324 717 23 618 a-Alanine, conf. I
219577.7638 8.8124 -6.0822 3 535.2342435 89502 303722745 722448 a-Alanine, conf. I
219590.0139 1.7843 -5.6716 3 875.6319525 89502 303874938 874839 a-Alanine, conf. I
219590.0139 1.7843 -5.6716 3 875.6319525 89502 303874939 874840 a-Alanine, conf. I
219615.6477 3.9596 -5.8330 3 943.5837603 89502 303A02179 A02080 a-Alanine, conf. I
219615.6477 3.9596 -5.8330 3 943.5837603 89502 303A02279 A02180 a-Alanine, conf. I
219616.5118 2.9569 -5.9809 3 1069.8175591 89502 303985048 984949 a-Alanine, conf. I
219616.5118 2.9569 -5.9809 3 1069.8175591 89502 303985049 984950 a-Alanine, conf. I
219620.9834 1.8540 -5.4455 3 580.0507495 89502 30382 973 82 874 a-Alanine, conf. I
219620.9834 1.8540 -5.4455 3 580.0507495 89502 303821073 82 974 a-Alanine, conf. I
219630.5254 0.0597 -5.5078 3 91.3529183 89502 303301318 291218 a-Alanine, conf. I
219647.9356 5.3284 -6.0037 3 1054.5269633 89502 303A52481 A52382 a-Alanine, conf. I
219647.9356 5.3284 -6.0037 3 1054.5269633 89502 303A52581 A52482 a-Alanine, conf. I
219730.3590 0.2831 -4.8921 3 156.3162237 89502 303391624 381623 a-Alanine, conf. I
219746.7145 0.0993 -4.8547 3 144.5917231 89502 303381325 371324 a-Alanine, conf. I
219758.9156 7.5639 -6.0888 3 481.4429411 89502 303682741 682444 a-Alanine, conf. I
219761.6786 0.6720 -5.3593 3 623.6189423 89502 303704822 704723 a-Alanine, conf. I
219761.6786 0.6720 -5.3593 3 623.6189423 89502 303704823 704724 a-Alanine, conf. I
219795.8991 1.8644 -5.4396 3 341.3389345 89502 303572433 562532 a-Alanine, conf. I
219831.5609 0.1639 -5.0587 3 187.0032243 89502 303402416 392415 a-Alanine, conf. I
219831.5609 0.1639 -5.0587 3 187.0032243 89502 303402417 392416 a-Alanine, conf. I
219854.2263 2.4501 -5.6195 3 436.7239447 89502 30374 371 74 272 a-Alanine, conf. I
219854.2263 2.4501 -5.6195 3 436.7239447 89502 30374 471 74 372 a-Alanine, conf. I
219924.4730 5.4822 -6.0841 3 566.0959447 89502 303742846 742549 a-Alanine, conf. I
219942.0511 2.1098 -5.4659 3 506.5646471 89502 30378 672 78 573 a-Alanine, conf. I
219942.0511 2.1098 -5.4659 3 506.5646471 89502 30378 772 78 673 a-Alanine, conf. I
219965.6665 0.1516 -4.6113 3 157.5593243 89502 303401228 391327 a-Alanine, conf. I
219977.5079 0.6302 -5.3497 3 610.8854417 89502 303694821 694722 a-Alanine, conf. I
219977.5079 0.6302 -5.3497 3 610.8854417 89502 303694822 694723 a-Alanine, conf. I
219998.8802 1.6933 -5.6475 3 859.7514519 89502 303864937 864838 a-Alanine, conf. I
219998.8802 1.6933 -5.6475 3 859.7514519 89502 303864938 864839 a-Alanine, conf. I
220030.6458 2.5244 -5.1791 3 216.0794279 89502 303461729 451828 a-Alanine, conf. I
220078.4374 0.1453 -4.7839 3 174.6132285 89502 30347 245 46 244 a-Alanine, conf. I
220078.4374 0.1453 -4.1757 3 174.6132285 89502 30347 245 46 344 a-Alanine, conf. I
220078.4374 0.1453 -4.1757 3 174.6132285 89502 30347 345 46 244 a-Alanine, conf. I
220078.4374 0.1453 -4.7839 3 174.6132285 89502 30347 345 46 344 a-Alanine, conf. I
220109.0514 0.2348 -4.8771 3 154.2725237 89502 303391525 381524 a-Alanine, conf. I
220183.5823 0.5922 -5.3413 3 598.3367411 89502 303684820 684721 a-Alanine, conf. I
220183.5823 0.5922 -5.3413 3 598.3367411 89502 303684821 684722 a-Alanine, conf. I
220189.0559 2.8219 -5.9501 3 1051.8937585 89502 303975047 974948 a-Alanine, conf. I
220189.0559 2.8219 -5.9501 3 1051.8937585 89502 303975048 974949 a-Alanine, conf. I
220190.9658 0.2762 -5.4753 3 58.7802153 89502 30325 817 24 718 a-Alanine, conf. I
220212.3807 1.8249 -5.4725 3 635.6791513 89502 303851174 851075 a-Alanine, conf. I
220212.3807 1.8249 -5.4725 3 635.6791513 89502 303851274 851175 a-Alanine, conf. I
220217.3075 0.1785 -5.0302 3 183.4271243 89502 303402318 392317 a-Alanine, conf. I
220217.3078 0.1785 -5.0302 3 183.4271243 89502 303402317 392316 a-Alanine, conf. I
220253.5630 4.1142 -6.2492 3 1227.1376639 89502 303A65155 A65056 a-Alanine, conf. I
220253.5630 4.1142 -6.2492 3 1227.1376639 89502 303A65156 A65057 a-Alanine, conf. I
220264.9613 3.2377 -5.7386 3 878.0915585 89502 303971978 971879 a-Alanine, conf. I
220264.9613 3.2377 -5.7386 3 878.0915585 89502 303972078 971979 a-Alanine, conf. I
220332.2836 0.0704 -5.4953 3 97.2380189 89502 303311318 301218 a-Alanine, conf. I
220380.2209 0.5581 -5.3343 3 585.9726405 89502 303674819 674720 a-Alanine, conf. I
220380.2209 0.5581 -5.3343 3 585.9726405 89502 303674820 674721 a-Alanine, conf. I
220392.0860 1.6057 -5.6242 3 844.0574513 89502 303854936 854837 a-Alanine, conf. I
220392.0860 1.6057 -5.6242 3 844.0574513 89502 303854937 854838 a-Alanine, conf. I
220393.8796 0.1039 -4.8123 3 172.5440273 89502 30345 540 44 539 a-Alanine, conf. I
220393.8796 0.1039 -4.2558 3 172.5440273 89502 30345 540 44 639 a-Alanine, conf. I
220393.8796 0.1039 -4.2558 3 172.5440273 89502 30345 640 44 539 a-Alanine, conf. I
220393.8796 0.1039 -4.8123 3 172.5440273 89502 30345 640 44 639 a-Alanine, conf. I
220498.7618 0.0302 -5.4305 3 76.4187135 89502 3032222 0 2121 0 a-Alanine, conf. I
220498.7618 0.0302 -4.2667 3 76.4187135 89502 3032222 0 2121 1 a-Alanine, conf. I
220498.7618 0.0302 -4.2667 3 76.4187135 89502 3032222 1 2121 0 a-Alanine, conf. I
220498.7618 0.0302 -5.4305 3 76.4187135 89502 3032222 1 2121 1 a-Alanine, conf. I
220504.1728 2.4885 -5.3452 3 291.0075321 89502 303532132 522231 a-Alanine, conf. I
220557.4881 5.8832 -6.0740 3 1098.8960645 89502 303A72582 A72483 a-Alanine, conf. I
220557.4881 5.8832 -6.0740 3 1098.8960645 89502 303A72682 A72583 a-Alanine, conf. I
220567.7341 0.5282 -5.3287 3 573.7931399 89502 303664818 664719 a-Alanine, conf. I
220567.7341 0.5282 -5.3287 3 573.7931399 89502 303664819 664720 a-Alanine, conf. I
220587.1721 1.9363 -5.5187 3 693.3136531 89502 303881375 881276 a-Alanine, conf. I
220587.1721 1.9363 -5.5187 3 693.3136531 89502 303881475 881376 a-Alanine, conf. I
220618.0384 1.7020 -5.4068 3 327.5228339 89502 303562334 552431 a-Alanine, conf. I
220630.1139 2.6516 -5.6538 3 814.5369567 89502 303941777 941678 a-Alanine, conf. I
220630.1139 2.6516 -5.6538 3 814.5369567 89502 303941877 941778 a-Alanine, conf. I
220667.7418 0.1949 -5.0035 3 180.0258243 89502 303402219 392218 a-Alanine, conf. I
220667.7460 0.1949 -5.0035 3 180.0258243 89502 303402218 392217 a-Alanine, conf. I
220713.1121 0.1078 -4.8612 3 157.5593243 89502 303401328 391327 a-Alanine, conf. I
220731.5997 2.2128 -5.5800 3 752.9384549 89502 303911576 911477 a-Alanine, conf. I
220731.5997 2.2128 -5.5800 3 752.9384549 89502 303911676 911577 a-Alanine, conf. I
220740.8763 2.6923 -5.9198 3 1034.1576579 89502 303965046 964947 a-Alanine, conf. I
220740.8763 2.6923 -5.9198 3 1034.1576579 89502 303965047 964948 a-Alanine, conf. I
220746.4236 0.5030 -5.3247 3 561.7980393 89502 303654817 654718 a-Alanine, conf. I
220746.4236 0.5030 -5.3247 3 561.7980393 89502 303654818 654719 a-Alanine, conf. I
220762.6411 4.4026 -5.8956 3 985.8380615 89502 303A22280 A22181 a-Alanine, conf. I
220762.6411 4.4026 -5.8956 3 985.8380615 89502 303A22380 A22281 a-Alanine, conf. I
220770.1386 1.5213 -5.6015 3 828.5500507 89502 303844935 844836 a-Alanine, conf. I
220770.1386 1.5213 -5.6015 3 828.5500507 89502 303844936 844837 a-Alanine, conf. I
220770.6325 0.1074 -4.3574 3 168.5837261 89502 30343 835 42 934 a-Alanine, conf. I
220770.6352 0.1074 -4.8369 3 168.5837261 89502 30343 935 42 934 a-Alanine, conf. I
220770.6394 0.1074 -4.8369 3 168.5837261 89502 30343 835 42 834 a-Alanine, conf. I
220770.6420 0.1074 -4.3574 3 168.5837261 89502 30343 935 42 834 a-Alanine, conf. I
220784.8491 0.1158 -5.6443 3 82.5363183 89502 30330 723 29 623 a-Alanine, conf. I
220800.9706 0.1150 -5.6443 3 82.5364183 89502 30330 823 29 723 a-Alanine, conf. I
220806.4848 2.6051 -5.7519 3 417.9842441 89502 30373 271 73 172 a-Alanine, conf. I
220806.4848 2.6051 -5.7519 3 417.9842441 89502 30373 371 73 272 a-Alanine, conf. I
220831.9127 1.9530 -5.4487 3 559.4847489 89502 30381 873 81 774 a-Alanine, conf. I
220831.9127 1.9530 -5.4487 3 559.4847489 89502 30381 973 81 874 a-Alanine, conf. I
220916.5835 0.4825 -5.3224 3 549.9872387 89502 303644816 644717 a-Alanine, conf. I
220916.5835 0.4825 -5.3224 3 549.9872387 89502 303644817 644718 a-Alanine, conf. I
220958.6495 3.9327 -6.2138 3 1207.7298633 89502 303A55154 A55055 a-Alanine, conf. I
220958.6495 3.9327 -6.2138 3 1207.7298633 89502 303A55155 A55056 a-Alanine, conf. I
221016.9722 2.2533 -5.4992 3 486.9046465 89502 30377 572 77 473 a-Alanine, conf. I
221016.9722 2.2533 -5.4992 3 486.9046465 89502 30377 672 77 573 a-Alanine, conf. I
221060.5909 0.1262 -4.7098 3 91.3529183 89502 303301317 291218 a-Alanine, conf. I
221078.4999 0.4670 -5.3219 3 538.3606381 89502 303634815 634716 a-Alanine, conf. I
221078.4999 0.4670 -5.3219 3 538.3606381 89502 303634816 634717 a-Alanine, conf. I
221133.5253 1.4401 -5.5796 3 813.2288501 89502 303834934 834835 a-Alanine, conf. I
221133.5253 1.4401 -5.5796 3 813.2288501 89502 303834935 834836 a-Alanine, conf. I
221188.7209 0.1730 -6.1981 3 77.3062171 89502 303281117 27 918 a-Alanine, conf. I
221200.6934 0.2134 -4.9783 3 176.8035243 89502 303402120 392119 a-Alanine, conf. I
221200.7575 0.2134 -4.9783 3 176.8035243 89502 303402119 392118 a-Alanine, conf. I
221232.4517 0.4567 -5.3234 3 526.9180375 89502 303624814 624715 a-Alanine, conf. I
221232.4517 0.4567 -5.3234 3 526.9180375 89502 303624815 624716 a-Alanine, conf. I
221237.2035 0.0214 -5.4415 3 77.2079141 89502 3032321 2 2220 2 a-Alanine, conf. I
221237.2035 0.0214 -4.2935 3 77.2079141 89502 3032321 2 2220 3 a-Alanine, conf. I
221237.2035 0.0214 -4.2935 3 77.2079141 89502 3032321 3 2220 2 a-Alanine, conf. I
221237.2035 0.0214 -5.4415 3 77.2079141 89502 3032321 3 2220 3 a-Alanine, conf. I
221272.6926 2.5678 -5.8902 3 1016.6091573 89502 303955045 954946 a-Alanine, conf. I
221272.6926 2.5678 -5.8902 3 1016.6091573 89502 303955046 954947 a-Alanine, conf. I
221318.1005 9.2787 -6.1012 3 427.8538393 89502 303652244 642341 a-Alanine, conf. I
221336.5640 0.4281 -4.8855 3 156.3719237 89502 303391623 381622 a-Alanine, conf. I
221378.7109 0.4514 -5.3272 3 515.6595369 89502 303614813 614714 a-Alanine, conf. I
221378.7109 0.4514 -5.3272 3 515.6595369 89502 303614814 614715 a-Alanine, conf. I
221384.2005 6.4806 -6.1469 3 1144.0980657 89502 303A92683 A92584 a-Alanine, conf. I
221384.2005 6.4806 -6.1469 3 1144.0980657 89502 303A92783 A92684 a-Alanine, conf. I
221414.0919 0.1049 -4.8581 3 157.5110243 89502 303401228 391227 a-Alanine, conf. I
221453.2944 0.1359 -5.5783 3 52.9069147 89502 30324 817 23 518 a-Alanine, conf. I
221460.3845 0.1849 -4.7700 3 177.3244291 89502 30348 147 47 146 a-Alanine, conf. I
221460.3845 0.1849 -4.1478 3 177.3244291 89502 30348 147 47 246 a-Alanine, conf. I
221460.3845 0.1849 -4.1478 3 177.3244291 89502 30348 247 47 146 a-Alanine, conf. I
221460.3845 0.1849 -4.7700 3 177.3244291 89502 30348 247 47 246 a-Alanine, conf. I
221482.7150 1.3618 -5.5585 3 798.0939495 89502 303824933 824834 a-Alanine, conf. I
221482.7150 1.3618 -5.5585 3 798.0939495 89502 303824934 824835 a-Alanine, conf. I
221517.5425 0.4510 -5.3335 3 504.5848363 89502 303604812 604713 a-Alanine, conf. I
221517.5425 0.4510 -5.3335 3 504.5848363 89502 303604813 604714 a-Alanine, conf. I
221523.8274 1.8663 -5.4643 3 614.4331507 89502 303841074 84 975 a-Alanine, conf. I
221523.8274 1.8663 -5.4643 3 614.4331507 89502 303841174 841075 a-Alanine, conf. I
221538.9828 0.3998 -5.4987 3 100.9668195 89502 303321121 311021 a-Alanine, conf. I
221558.0900 3.6117 -5.7960 3 919.0566597 89502 303992079 991980 a-Alanine, conf. I
221558.0900 3.6117 -5.7960 3 919.0566597 89502 303992179 992080 a-Alanine, conf. I
221608.7887 1.6591 -6.1841 3 246.8813297 89502 303491931 491634 a-Alanine, conf. I
221623.5152 0.1073 -4.5108 3 162.5461249 89502 303411130 401229 a-Alanine, conf. I
221628.8822 6.7300 -5.9136 3 377.3798369 89502 303612141 602238 a-Alanine, conf. I
221638.7742 3.7592 -6.1790 3 1188.5105627 89502 303A45153 A45054 a-Alanine, conf. I
221638.7742 3.7592 -6.1790 3 1188.5105627 89502 303A45154 A45055 a-Alanine, conf. I
221642.8007 1.0632 -6.1528 3 258.7851303 89502 303502031 501734 a-Alanine, conf. I
221649.2052 0.4552 -5.3427 3 493.6938357 89502 303594811 594712 a-Alanine, conf. I
221649.2052 0.4552 -5.3427 3 493.6938357 89502 303594812 594713 a-Alanine, conf. I
221665.8364 0.1069 -4.8539 3 162.5461249 89502 303411230 401229 a-Alanine, conf. I
221679.6337 0.3694 -4.8497 3 145.8037231 89502 303381424 371423 a-Alanine, conf. I
221680.9020 1.5531 -5.3777 3 314.0665333 89502 303552234 542331 a-Alanine, conf. I
221714.4608 0.1068 -4.8537 3 162.5431249 89502 303411130 401129 a-Alanine, conf. I
221722.9500 2.7614 -6.0098 3 399.4691435 89502 30372 171 72 072 a-Alanine, conf. I
221722.9500 2.7614 -6.0098 3 399.4691435 89502 30372 271 72 172 a-Alanine, conf. I
221756.7820 0.1069 -4.5102 3 162.5431249 89502 303411230 401129 a-Alanine, conf. I
221773.9516 0.4634 -5.3553 3 482.9865351 89502 303584810 584711 a-Alanine, conf. I
221773.9516 0.4634 -5.3553 3 482.9865351 89502 303584811 584712 a-Alanine, conf. I
221785.1899 2.4482 -5.8612 3 999.2481567 89502 303945044 944945 a-Alanine, conf. I
221785.1899 2.4482 -5.8612 3 999.2481567 89502 303945045 944946 a-Alanine, conf. I
221792.6224 0.1110 -4.7991 3 175.8720279 89502 30346 442 45 441 a-Alanine, conf. I
221792.6224 0.1110 -4.2227 3 175.8720279 89502 30346 442 45 541 a-Alanine, conf. I
221792.6224 0.1110 -4.2227 3 175.8720279 89502 30346 542 45 441 a-Alanine, conf. I
221792.6224 0.1110 -4.7991 3 175.8720279 89502 30346 542 45 541 a-Alanine, conf. I
221818.1595 1.2865 -5.5381 3 783.1450489 89502 303814932 814833 a-Alanine, conf. I
221818.1595 1.2865 -5.5381 3 783.1450489 89502 303814933 814834 a-Alanine, conf. I
221824.3210 2.0568 -5.4014 3 327.5202339 89502 303562333 552432 a-Alanine, conf. I
221834.8360 4.8830 -5.9612 3 1028.9338627 89502 303A42381 A42282 a-Alanine, conf. I
221834.8360 4.8830 -5.9612 3 1028.9338627 89502 303A42481 A42382 a-Alanine, conf. I
221842.0329 0.2347 -4.9543 3 173.7658243 89502 303402021 392020 a-Alanine, conf. I
221842.8650 0.2348 -4.9543 3 173.7658243 89502 303402020 392019 a-Alanine, conf. I
221853.5393 1.1803 -5.3624 3 300.9827327 89502 303542134 532231 a-Alanine, conf. I
221892.0281 0.4753 -5.3718 3 472.4627345 89502 3035748 9 574710 a-Alanine, conf. I
221892.0281 0.4753 -5.3718 3 472.4627345 89502 303574810 574711 a-Alanine, conf. I
221966.4215 0.0178 -5.4514 3 78.3487147 89502 3032420 4 2319 4 a-Alanine, conf. I
221966.4215 0.0178 -4.3220 3 78.3487147 89502 3032420 4 2319 5 a-Alanine, conf. I
221966.4215 0.0178 -4.3220 3 78.3487147 89502 3032420 5 2319 4 a-Alanine, conf. I
221966.4215 0.0178 -5.4514 3 78.3487147 89502 3032420 5 2319 5 a-Alanine, conf. I
221997.6431 2.0738 -5.4593 3 539.1343483 89502 30380 773 80 674 a-Alanine, conf. I
221997.6431 2.0738 -5.4593 3 539.1343483 89502 30380 873 80 774 a-Alanine, conf. I
222003.6754 0.4902 -5.3929 3 462.1224339 89502 3035648 8 5647 9 a-Alanine, conf. I
222003.6754 0.4902 -5.3929 3 462.1224339 89502 3035648 9 564710 a-Alanine, conf. I
222006.2568 1.8976 -5.5022 3 671.3949525 89502 303871275 871176 a-Alanine, conf. I
222006.2568 1.8976 -5.5022 3 671.3949525 89502 303871375 871276 a-Alanine, conf. I
222051.7871 2.4046 -5.5509 3 467.4649459 89502 30376 472 76 373 a-Alanine, conf. I
222051.7871 2.4046 -5.5509 3 467.4649459 89502 30376 572 76 473 a-Alanine, conf. I
222059.8452 2.9553 -5.7057 3 854.2031579 89502 303961878 961779 a-Alanine, conf. I
222059.8452 2.9553 -5.7057 3 854.2031579 89502 303961978 961879 a-Alanine, conf. I
222109.1287 0.5078 -5.4197 3 451.9654333 89502 3035548 7 5547 8 a-Alanine, conf. I
222109.1287 0.5078 -5.4197 3 451.9654333 89502 3035548 8 5547 9 a-Alanine, conf. I
222124.3340 0.1080 -4.3144 3 172.5576267 89502 30344 737 43 836 a-Alanine, conf. I
222124.3340 0.1080 -4.8250 3 172.5576267 89502 30344 837 43 836 a-Alanine, conf. I
222124.3341 0.1080 -4.8250 3 172.5576267 89502 30344 737 43 736 a-Alanine, conf. I
222124.3342 0.1080 -4.3144 3 172.5576267 89502 30344 837 43 736 a-Alanine, conf. I
222125.1939 7.1228 -6.2226 3 1190.1301669 89502 303B12784 B12685 a-Alanine, conf. I
222125.1939 7.1228 -6.2226 3 1190.1301669 89502 303B12884 B12785 a-Alanine, conf. I
222140.2940 1.2142 -5.5185 3 768.3821483 89502 303804931 804832 a-Alanine, conf. I
222140.2940 1.2142 -5.5185 3 768.3821483 89502 303804932 804833 a-Alanine, conf. I
222161.5375 0.1423 -4.6014 3 157.5110243 89502 303401328 391227 a-Alanine, conf. I
222208.6177 0.5274 -5.4537 3 441.9917327 89502 3035448 6 5447 7 a-Alanine, conf. I
222208.6177 0.5274 -5.4537 3 441.9917327 89502 3035448 7 5447 8 a-Alanine, conf. I
222234.8665 10.9949 -6.0996 3 505.1669423 89502 303702644 702347 a-Alanine, conf. I
222266.3518 2.0857 -5.5570 3 730.3548543 89502 303901476 901377 a-Alanine, conf. I
222266.3518 2.0857 -5.5570 3 730.3548543 89502 303901576 901477 a-Alanine, conf. I
222279.0206 2.3331 -5.8328 3 982.0744561 89502 303935043 934944 a-Alanine, conf. I
222279.0206 2.3331 -5.8328 3 982.0744561 89502 303935044 934945 a-Alanine, conf. I
222289.6743 2.4418 -5.6256 3 791.2965561 89502 303931677 931578 a-Alanine, conf. I
222289.6743 2.4418 -5.6256 3 791.2965561 89502 303931777 931678 a-Alanine, conf. I
222294.8679 3.5933 -6.1448 3 1169.4795621 89502 303A35152 A35053 a-Alanine, conf. I
222294.8679 3.5933 -6.1448 3 1169.4795621 89502 303A35153 A35054 a-Alanine, conf. I
222302.3668 0.5487 -5.4969 3 432.2011321 89502 3035348 5 5347 6 a-Alanine, conf. I
222302.3668 0.5487 -5.4969 3 432.2011321 89502 3035348 6 5347 7 a-Alanine, conf. I
222318.7787 0.0916 -5.6929 3 80.3214183 89502 30330 624 29 524 a-Alanine, conf. I
222319.9330 0.0916 -5.6928 3 80.3214183 89502 30330 724 29 624 a-Alanine, conf. I
222377.7867 2.0074 -5.7708 3 493.4732405 89502 303673335 663432 a-Alanine, conf. I
222377.7888 2.0074 -5.7708 3 493.4732405 89502 303673334 663433 a-Alanine, conf. I
222390.5955 0.5713 -5.5527 3 422.5936315 89502 3035248 4 5247 5 a-Alanine, conf. I
222390.5955 0.5713 -5.5527 3 422.5936315 89502 3035248 5 5247 6 a-Alanine, conf. I
222403.3219 1.9786 -5.7297 3 476.3753399 89502 303663235 653332 a-Alanine, conf. I
222403.3323 1.9787 -5.7297 3 476.3753399 89502 303663234 653333 a-Alanine, conf. I
222414.6466 2.0391 -5.8125 3 510.9116411 89502 303683435 673532 a-Alanine, conf. I
222414.6471 2.0391 -5.8125 3 510.9116411 89502 303683434 673533 a-Alanine, conf. I
222449.5387 1.1446 -5.4998 3 753.8049477 89502 303794930 794831 a-Alanine, conf. I
222449.5387 1.1446 -5.4998 3 753.8049477 89502 303794931 794832 a-Alanine, conf. I
222473.5183 0.5949 -5.6264 3 413.1690309 89502 3035148 3 5147 4 a-Alanine, conf. I
222473.5183 0.5949 -5.6264 3 413.1690309 89502 3035148 4 5147 5 a-Alanine, conf. I
222502.5408 1.9533 -5.6891 3 459.6184393 89502 303653135 643232 a-Alanine, conf. I
222502.5893 1.9534 -5.6891 3 459.6184393 89502 303653134 643233 a-Alanine, conf. I
222504.8122 2.0732 -5.8546 3 528.6896417 89502 303693535 683632 a-Alanine, conf. I
222504.8123 2.0732 -5.8546 3 528.6896417 89502 303693534 683633 a-Alanine, conf. I
222535.6637 10.0702 -6.1301 3 407.9865381 89502 303632340 632043 a-Alanine, conf. I
222551.3448 0.6192 -5.7284 3 403.9273303 89502 3035048 2 5047 3 a-Alanine, conf. I
222551.3448 0.6192 -5.7284 3 403.9273303 89502 3035048 3 5047 4 a-Alanine, conf. I
222602.8967 0.1452 -5.5055 3 95.3739189 89502 303311220 301120 a-Alanine, conf. I
222624.2799 0.6440 -5.8819 3 394.8684297 89502 3034948 1 4947 2 a-Alanine, conf. I
222624.2799 0.6440 -5.8819 3 394.8684297 89502 3034948 2 4947 3 a-Alanine, conf. I
222629.5633 0.2596 -4.9314 3 170.9203243 89502 303401922 391921 a-Alanine, conf. I
222638.6177 0.2609 -4.9313 3 170.9205243 89502 303401921 391920 a-Alanine, conf. I
222640.8669 2.1095 -5.8974 3 546.8070423 89502 303703634 693733 a-Alanine, conf. I
222640.8669 2.1095 -5.8974 3 546.8070423 89502 303703635 693732 a-Alanine, conf. I
222676.0233 0.0186 -5.4604 3 79.8459153 89502 3032519 6 2418 6 a-Alanine, conf. I
222676.0233 0.0186 -4.3528 3 79.8459153 89502 3032519 6 2418 7 a-Alanine, conf. I
222676.0233 0.0186 -4.3528 3 79.8459153 89502 3032519 7 2418 6 a-Alanine, conf. I
222676.0233 0.0186 -5.4604 3 79.8459153 89502 3032519 7 2418 7 a-Alanine, conf. I
222689.6637 1.9323 -5.6490 3 443.2034387 89502 303643035 633132 a-Alanine, conf. I
222689.8833 1.9324 -5.6490 3 443.2034387 89502 303643034 633133 a-Alanine, conf. I
222692.5241 0.6691 -6.1605 3 385.9922291 89502 3034848 0 4847 1 a-Alanine, conf. I
222692.5241 0.6691 -6.1605 3 385.9922291 89502 3034848 1 4847 2 a-Alanine, conf. I
222732.9573 0.1100 -4.4415 3 167.2557255 89502 303421032 411131 a-Alanine, conf. I
222734.6178 0.1100 -4.8452 3 167.2557255 89502 303421132 411131 a-Alanine, conf. I
222736.7966 0.1100 -4.8452 3 167.2555255 89502 303421032 411031 a-Alanine, conf. I
222737.6280 2.8624 -5.2237 3 235.9817291 89502 303481830 471929 a-Alanine, conf. I
222738.4570 0.1100 -4.4415 3 167.2555255 89502 303421132 411031 a-Alanine, conf. I
222746.2995 1.0779 -5.4818 3 739.4134471 89502 303784929 784830 a-Alanine, conf. I
222746.2995 1.0779 -5.4818 3 739.4134471 89502 303784930 784831 a-Alanine, conf. I
222751.5805 7.1289 -6.1921 3 320.9232339 89502 303562036 561739 a-Alanine, conf. I
222754.8076 2.2224 -5.8051 3 965.0879555 89502 303925042 924943 a-Alanine, conf. I
222754.8076 2.2224 -5.8051 3 965.0879555 89502 303925043 924944 a-Alanine, conf. I
222781.0048 4.0216 -5.8566 3 960.8685609 89502 303A12180 A12081 a-Alanine, conf. I
222781.0048 4.0216 -5.8566 3 960.8685609 89502 303A12280 A12181 a-Alanine, conf. I
222786.3459 1.9427 -5.4610 3 593.3991501 89502 30383 974 83 875 a-Alanine, conf. I
222786.3459 1.9427 -5.4610 3 593.3991501 89502 303831074 83 975 a-Alanine, conf. I
222816.6879 2.1476 -5.9406 3 565.2631429 89502 303713734 703833 a-Alanine, conf. I
222816.6879 2.1476 -5.9406 3 565.2631429 89502 303713735 703832 a-Alanine, conf. I
222824.5871 0.2318 -6.0321 3 267.6949249 89502 3034139 2 4039 1 a-Alanine, conf. I
222824.5871 0.2318 -6.0321 3 267.6949249 89502 3034139 3 4039 2 a-Alanine, conf. I
222829.4172 0.2374 -4.7560 3 179.8478297 89502 30349 049 48 048 a-Alanine, conf. I
222829.4172 0.2374 -4.1215 3 179.8478297 89502 30349 049 48 148 a-Alanine, conf. I
222829.4172 0.2374 -4.1215 3 179.8478297 89502 30349 149 48 048 a-Alanine, conf. I
222829.4172 0.2374 -4.7560 3 179.8478297 89502 30349 149 48 148 a-Alanine, conf. I
222829.9411 5.4024 -6.0296 3 1072.8682639 89502 303A62482 A62383 a-Alanine, conf. I
222829.9411 5.4024 -6.0296 3 1072.8682639 89502 303A62582 A62483 a-Alanine, conf. I
222849.9989 0.1872 -5.5274 3 93.7118189 89502 303311121 301021 a-Alanine, conf. I
222905.1705 0.2127 -5.8486 3 261.6755249 89502 3034138 3 4038 2 a-Alanine, conf. I
222905.1705 0.2127 -5.8486 3 261.6755249 89502 3034138 4 4038 3 a-Alanine, conf. I
222927.8093 3.4345 -6.1112 3 1150.6367615 89502 303A25151 A25052 a-Alanine, conf. I
222927.8093 3.4345 -6.1112 3 1150.6367615 89502 303A25152 A25053 a-Alanine, conf. I
222982.8490 1.9164 -5.6093 3 427.1313381 89502 303632935 623032 a-Alanine, conf. I
222983.8060 1.9169 -5.6093 3 427.1313381 89502 303632934 623033 a-Alanine, conf. I
222993.2894 0.1949 -5.7166 3 255.8153249 89502 3034137 4 4037 3 a-Alanine, conf. I
222993.2894 0.1949 -5.7166 3 255.8153249 89502 3034137 5 4037 4 a-Alanine, conf. I
223027.1675 2.1873 -5.9845 3 584.0575435 89502 303723834 713933 a-Alanine, conf. I
223027.1675 2.1873 -5.9845 3 584.0575435 89502 303723835 713932 a-Alanine, conf. I
223030.9686 1.0141 -5.4647 3 725.2074465 89502 303774928 774829 a-Alanine, conf. I
223030.9686 1.0141 -5.4647 3 725.2074465 89502 303774929 774830 a-Alanine, conf. I
223048.1374 2.5609 -5.6311 3 448.2468453 89502 30375 372 75 273 a-Alanine, conf. I
223048.1374 2.5609 -5.6311 3 448.2468453 89502 30375 472 75 373 a-Alanine, conf. I
223089.7978 0.1787 -5.6131 3 250.1144249 89502 3034136 5 4036 4 a-Alanine, conf. I
223089.7978 0.1787 -5.6131 3 250.1144249 89502 3034136 6 4036 5 a-Alanine, conf. I
223097.4535 0.0775 -5.8651 3 45.4651141 89502 30323 518 22 419 a-Alanine, conf. I
223120.1408 2.2106 -5.4794 3 519.0009477 89502 30379 673 79 574 a-Alanine, conf. I
223120.1408 2.2106 -5.4794 3 519.0009477 89502 30379 773 79 674 a-Alanine, conf. I
223138.8311 0.0766 -5.8650 3 45.4651141 89502 30323 618 22 319 a-Alanine, conf. I
223167.2950 2.7782 -5.5912 3 319.2551339 89502 303562037 552134 a-Alanine, conf. I
223184.5256 0.6139 -5.4184 3 298.3628327 89502 303542035 532132 a-Alanine, conf. I
223188.8169 0.1275 -4.7858 3 179.0081285 89502 30347 344 46 343 a-Alanine, conf. I
223188.8169 0.1275 -4.1921 3 179.0081285 89502 30347 344 46 443 a-Alanine, conf. I
223188.8169 0.1275 -4.1921 3 179.0081285 89502 30347 444 46 343 a-Alanine, conf. I
223188.8169 0.1275 -4.7858 3 179.0081285 89502 30347 444 46 443 a-Alanine, conf. I
223195.6813 0.1642 -5.5276 3 244.5732249 89502 3034135 6 4035 5 a-Alanine, conf. I
223195.6813 0.1642 -5.5276 3 244.5732249 89502 3034135 7 4035 6 a-Alanine, conf. I
223213.1457 2.1158 -5.7780 3 948.2883549 89502 303915041 914942 a-Alanine, conf. I
223213.1457 2.1158 -5.7780 3 948.2883549 89502 303915042 914943 a-Alanine, conf. I
223268.0052 2.2285 -6.0289 3 603.1900441 89502 303733934 724033 a-Alanine, conf. I
223268.0052 2.2285 -6.0289 3 603.1900441 89502 303733935 724032 a-Alanine, conf. I
223303.9255 0.9531 -5.4486 3 711.1867459 89502 303764927 764828 a-Alanine, conf. I
223303.9255 0.9531 -5.4486 3 711.1867459 89502 303764928 764829 a-Alanine, conf. I
223312.0838 0.1519 -5.4548 3 239.1922249 89502 3034134 7 4034 6 a-Alanine, conf. I
223312.0838 0.1519 -5.4548 3 239.1922249 89502 3034134 8 4034 7 a-Alanine, conf. I
223348.1871 0.0217 -5.4682 3 81.7063159 89502 3032618 8 2517 8 a-Alanine, conf. I
223348.1871 0.0217 -4.3867 3 81.7063159 89502 3032618 8 2517 9 a-Alanine, conf. I
223348.1871 0.0217 -4.3867 3 81.7063159 89502 3032618 9 2517 8 a-Alanine, conf. I
223348.1871 0.0217 -5.4682 3 81.7063159 89502 3032618 9 2517 9 a-Alanine, conf. I
223372.2112 1.9044 -5.4893 3 649.6845519 89502 303861175 861076 a-Alanine, conf. I
223372.2112 1.9044 -5.4893 3 649.6845519 89502 303861275 861176 a-Alanine, conf. I
223405.4408 1.9070 -5.5702 3 411.4033375 89502 303622835 612932 a-Alanine, conf. I
223409.4463 1.9090 -5.5702 3 411.4033375 89502 303622834 612933 a-Alanine, conf. I
223423.3336 3.2953 -5.7609 3 894.7210591 89502 303981979 981880 a-Alanine, conf. I
223423.3336 3.2953 -5.7609 3 894.7210591 89502 303982079 981980 a-Alanine, conf. I
223440.3402 0.1421 -5.3912 3 233.9717249 89502 3034133 8 4033 7 a-Alanine, conf. I
223440.3402 0.1421 -5.3912 3 233.9717249 89502 3034133 9 4033 8 a-Alanine, conf. I
223505.3692 0.1012 -4.8469 3 151.9216237 89502 303391326 381325 a-Alanine, conf. I
223505.7966 0.1083 -4.8127 3 176.3261273 89502 30345 639 44 638 a-Alanine, conf. I
223505.7966 0.1083 -4.2761 3 176.3261273 89502 30345 639 44 738 a-Alanine, conf. I
223505.7966 0.1083 -4.2761 3 176.3261273 89502 30345 739 44 638 a-Alanine, conf. I
223505.7966 0.1083 -4.8127 3 176.3261273 89502 30345 739 44 738 a-Alanine, conf. I
223535.5504 2.2710 -6.0739 3 622.6601447 89502 303744034 734133 a-Alanine, conf. I
223535.5504 2.2710 -6.0739 3 622.6601447 89502 303744035 734132 a-Alanine, conf. I
223538.4296 3.2823 -6.0783 3 1131.9818609 89502 303A15150 A15051 a-Alanine, conf. I
223538.4296 3.2823 -6.0783 3 1131.9818609 89502 303A15151 A15052 a-Alanine, conf. I
223565.5378 0.8950 -5.4333 3 697.3514453 89502 303754926 754827 a-Alanine, conf. I
223565.5378 0.8950 -5.4333 3 697.3514453 89502 303754927 754828 a-Alanine, conf. I
223582.0185 0.1351 -5.3349 3 228.9123249 89502 3034132 9 4032 8 a-Alanine, conf. I
223582.0185 0.1351 -5.3349 3 228.9123249 89502 303413210 4032 9 a-Alanine, conf. I
223588.4164 0.0784 -5.7544 3 77.9582183 89502 30330 525 29 425 a-Alanine, conf. I
223588.4789 0.0784 -5.7544 3 77.9582183 89502 30330 625 29 525 a-Alanine, conf. I
223607.3627 0.2880 -4.9092 3 168.2779243 89502 303401823 391822 a-Alanine, conf. I
223642.4923 3.5264 -6.2512 3 264.2784303 89502 303502228 501931 a-Alanine, conf. I
223653.6485 0.0622 -5.4736 3 103.2214195 89502 303321319 311219 a-Alanine, conf. I
223654.6041 2.0132 -5.7517 3 931.6755543 89502 303905040 904941 a-Alanine, conf. I
223654.6041 2.0132 -5.7517 3 931.6755543 89502 303905041 904942 a-Alanine, conf. I
223688.1758 0.2985 -4.9089 3 168.2800243 89502 303401822 391821 a-Alanine, conf. I
223738.9731 0.1313 -5.2843 3 224.0145249 89502 303413110 4031 9 a-Alanine, conf. I
223738.9731 0.1313 -5.2843 3 224.0145249 89502 303413111 403110 a-Alanine, conf. I
223743.1967 2.0057 -5.5369 3 707.9756537 89502 303891376 891277 a-Alanine, conf. I
223743.1967 2.0057 -5.5369 3 707.9756537 89502 303891476 891377 a-Alanine, conf. I
223745.5072 5.9624 -6.1007 3 1117.6385651 89502 303A82583 A82484 a-Alanine, conf. I
223745.5072 5.9624 -6.1007 3 1117.6385651 89502 303A82683 A82584 a-Alanine, conf. I
223784.9848 2.7087 -5.6749 3 830.5109573 89502 303951778 951679 a-Alanine, conf. I
223784.9848 2.7087 -5.6749 3 830.5109573 89502 303951878 951779 a-Alanine, conf. I
223793.2536 0.1419 -4.8560 3 159.6355243 89502 303401427 391426 a-Alanine, conf. I
223800.9003 0.2743 -6.2231 3 214.4734279 89502 303461630 451728 a-Alanine, conf. I
223816.1617 0.8399 -5.4190 3 683.7012447 89502 303744925 744826 a-Alanine, conf. I
223816.1617 0.8399 -5.4190 3 683.7012447 89502 303744926 744827 a-Alanine, conf. I
223826.6807 2.3148 -6.1195 3 642.4675453 89502 303754134 744233 a-Alanine, conf. I
223826.6807 2.3148 -6.1195 3 642.4675453 89502 303754135 744232 a-Alanine, conf. I
223850.0098 1.6664 -6.1103 3 597.7393459 89502 303762947 762650 a-Alanine, conf. I
223882.7436 0.3849 -4.8894 3 89.7700183 89502 303301218 291119 a-Alanine, conf. I
223885.8460 2.2740 -5.5996 3 768.2566555 89502 303921577 921478 a-Alanine, conf. I
223885.8460 2.2740 -5.5996 3 768.2566555 89502 303921677 921578 a-Alanine, conf. I
223913.4144 0.1308 -5.2385 3 219.2791249 89502 303413011 403010 a-Alanine, conf. I
223913.4144 0.1308 -5.2385 3 219.2791249 89502 303413012 403011 a-Alanine, conf. I
223924.6906 0.0369 -4.6075 3 93.0884183 89502 303301417 291316 a-Alanine, conf. I
223931.7209 4.4684 -5.9202 3 1003.5243621 89502 303A32281 A32182 a-Alanine, conf. I
223931.7209 4.4684 -5.9202 3 1003.5243621 89502 303A32381 A32282 a-Alanine, conf. I
223951.5727 0.0255 -4.4252 3 83.9396165 89502 303271711 261610 a-Alanine, conf. I
223951.5743 0.0255 -5.4749 3 83.9396165 89502 303271710 261610 a-Alanine, conf. I
223951.5826 0.0255 -5.4749 3 83.9396165 89502 303271711 261611 a-Alanine, conf. I
223951.5842 0.0255 -4.4252 3 83.9396165 89502 303271710 261611 a-Alanine, conf. I
223958.3124 0.1125 -4.3861 3 171.7154261 89502 30343 934 421033 a-Alanine, conf. I
223958.3602 0.1125 -4.8351 3 171.7154261 89502 303431034 421033 a-Alanine, conf. I
223958.4296 0.1125 -4.8351 3 171.7154261 89502 30343 934 42 933 a-Alanine, conf. I
223958.4773 0.1125 -4.3861 3 171.7154261 89502 303431034 42 933 a-Alanine, conf. I
223986.9675 1.9050 -5.5315 3 396.0207369 89502 303612735 602832 a-Alanine, conf. I
224002.1539 2.0472 -5.4637 3 572.5788495 89502 30382 874 82 775 a-Alanine, conf. I
224002.1539 2.0472 -5.4637 3 572.5788495 89502 30382 974 82 875 a-Alanine, conf. I
224003.0065 1.9124 -5.5315 3 396.0206369 89502 303612734 602833 a-Alanine, conf. I
224007.5622 2.7200 -5.7631 3 429.2518447 89502 30374 272 74 173 a-Alanine, conf. I
224007.5622 2.7200 -5.7631 3 429.2518447 89502 30374 372 74 273 a-Alanine, conf. I
224039.0268 0.2131 -5.5555 3 91.8891189 89502 30331 922 30 822 a-Alanine, conf. I
224056.1426 0.7879 -5.4057 3 670.2360441 89502 303734924 734825 a-Alanine, conf. I
224056.1426 0.7879 -5.4057 3 670.2360441 89502 303734925 734826 a-Alanine, conf. I
224079.7279 1.9143 -5.7259 3 915.2494537 89502 303895039 894940 a-Alanine, conf. I
224079.7279 1.9143 -5.7259 3 915.2494537 89502 303895040 894941 a-Alanine, conf. I
224104.0787 0.0352 -5.4885 3 93.0884183 89502 303301416 291316 a-Alanine, conf. I
224108.0008 0.1335 -5.1966 3 214.7069249 89502 303412912 402911 a-Alanine, conf. I
224108.0008 0.1335 -5.1966 3 214.7069249 89502 303412913 402912 a-Alanine, conf. I
224127.5162 3.1362 -6.0459 3 1113.5147603 89502 303A05149 A05050 a-Alanine, conf. I
224127.5162 3.1362 -6.0459 3 1113.5147603 89502 303A05150 A05051 a-Alanine, conf. I
224138.7079 2.3598 -6.1657 3 662.6120459 89502 303764234 754333 a-Alanine, conf. I
224138.7079 2.3598 -6.1657 3 662.6120459 89502 303764235 754332 a-Alanine, conf. I
224201.2367 2.3587 -5.5124 3 499.0861471 89502 30378 573 78 474 a-Alanine, conf. I
224201.2367 2.3587 -5.5124 3 499.0861471 89502 30378 673 78 574 a-Alanine, conf. I
224240.2691 0.0878 -5.4708 3 60.2322153 89502 303251016 24 717 a-Alanine, conf. I
224285.8156 0.7391 -5.3935 3 656.9557435 89502 303724923 724824 a-Alanine, conf. I
224285.8156 0.7391 -5.3935 3 656.9557435 89502 303724924 724825 a-Alanine, conf. I
224325.9619 0.1392 -5.1581 3 210.2988249 89502 303412813 402812 a-Alanine, conf. I
224325.9619 0.1392 -5.1581 3 210.2988249 89502 303412814 402813 a-Alanine, conf. I
224427.7308 0.0297 -4.4706 3 86.5604171 89502 303281613 271512 a-Alanine, conf. I
224427.8592 0.0297 -5.4803 3 86.5604171 89502 303281612 271512 a-Alanine, conf. I
224428.4149 0.0297 -5.4803 3 86.5604171 89502 303281613 271513 a-Alanine, conf. I
224428.5433 0.0297 -4.4706 3 86.5604171 89502 303281612 271513 a-Alanine, conf. I
224469.3029 2.4059 -6.2125 3 683.0933465 89502 303774334 764433 a-Alanine, conf. I
224469.3029 2.4059 -6.2125 3 683.0933465 89502 303774335 764432 a-Alanine, conf. I
224489.0401 1.8190 -5.7009 3 899.0098531 89502 303885038 884939 a-Alanine, conf. I
224489.0401 1.8190 -5.7009 3 899.0098531 89502 303885039 884940 a-Alanine, conf. I
224505.5064 0.6937 -5.3824 3 643.8602429 89502 303714922 714823 a-Alanine, conf. I
224505.5064 0.6937 -5.3824 3 643.8602429 89502 303714923 714824 a-Alanine, conf. I
224513.8356 8.1382 -6.1268 3 427.8538387 89502 303642638 642341 a-Alanine, conf. I
224535.9994 0.5072 -5.0767 3 82.8165177 89502 303291118 281019 a-Alanine, conf. I
224561.5226 1.5161 -5.4868 3 308.6796333 89502 303552036 542133 a-Alanine, conf. I
224571.2672 0.1476 -5.1224 3 206.0561249 89502 303412714 402713 a-Alanine, conf. I
224571.2672 0.1476 -5.1224 3 206.0561249 89502 303412715 402714 a-Alanine, conf. I
224577.7116 0.1561 -4.7724 3 181.9542291 89502 30348 246 47 245 a-Alanine, conf. I
224577.7116 0.1561 -4.1634 3 181.9542291 89502 30348 246 47 345 a-Alanine, conf. I
224577.7116 0.1561 -4.1634 3 181.9542291 89502 30348 346 47 245 a-Alanine, conf. I
224577.7116 0.1561 -4.7724 3 181.9542291 89502 30348 346 47 345 a-Alanine, conf. I
224578.9113 6.5652 -6.1745 3 1163.2416663 89502 303B02684 B02585 a-Alanine, conf. I
224578.9113 6.5652 -6.1745 3 1163.2416663 89502 303B02784 B02685 a-Alanine, conf. I
224584.9826 0.0414 -5.4870 3 93.0664183 89502 303301417 291317 a-Alanine, conf. I
224641.9322 0.0337 -4.5274 3 89.5925177 89502 303291515 281414 a-Alanine, conf. I
224648.1137 0.0338 -5.4845 3 89.5925177 89502 303291514 281414 a-Alanine, conf. I
224669.8711 0.0342 -5.4844 3 89.5915177 89502 303291515 281415 a-Alanine, conf. I
224671.2515 0.0791 -5.8343 3 75.4545183 89502 30330 426 29 326 a-Alanine, conf. I
224671.2540 0.0791 -5.8343 3 75.4545183 89502 30330 526 29 426 a-Alanine, conf. I
224676.0525 0.0344 -4.5273 3 89.5915177 89502 303291514 281415 a-Alanine, conf. I
224687.5558 1.9522 -5.4807 3 628.1843513 89502 303851075 85 976 a-Alanine, conf. I
224687.5558 1.9522 -5.4807 3 628.1843513 89502 303851175 851076 a-Alanine, conf. I
224695.8162 2.9961 -6.0142 3 1095.2352597 89502 303995148 995049 a-Alanine, conf. I
224695.8162 2.9961 -6.0142 3 1095.2352597 89502 303995149 995050 a-Alanine, conf. I
224700.9496 0.1812 -5.5531 3 91.8962189 89502 303311022 30 922 a-Alanine, conf. I
224715.5313 0.6520 -5.3725 3 630.9493423 89502 303704921 704822 a-Alanine, conf. I
224715.5313 0.6520 -5.3725 3 630.9493423 89502 303704922 704823 a-Alanine, conf. I
224718.8410 3.6717 -5.8193 3 936.0879603 89502 303A02080 A01981 a-Alanine, conf. I
224718.8410 3.6717 -5.8193 3 936.0879603 89502 303A02180 A02081 a-Alanine, conf. I
224750.7306 0.3103 -4.8879 3 165.8519243 89502 303401724 391723 a-Alanine, conf. I
224761.7192 1.9099 -5.4934 3 380.9854363 89502 303602635 592732 a-Alanine, conf. I
224764.3707 0.0482 -4.6051 3 93.0664183 89502 303301416 291317 a-Alanine, conf. I
224786.1183 0.1289 -4.5709 3 164.9215249 89502 303411229 401328 a-Alanine, conf. I
224822.8852 1.9354 -5.4932 3 380.9853363 89502 303602634 592733 a-Alanine, conf. I
224848.8628 0.1583 -5.0893 3 201.9801249 89502 303412615 402614 a-Alanine, conf. I
224848.8628 0.1583 -5.0893 3 201.9801249 89502 303412616 402615 a-Alanine, conf. I
224883.0425 1.7271 -5.6765 3 882.9567525 89502 303875037 874938 a-Alanine, conf. I
224883.0425 1.7271 -5.6765 3 882.9567525 89502 303875038 874939 a-Alanine, conf. I
224899.7848 0.1108 -4.8001 3 179.8955279 89502 30346 541 45 540 a-Alanine, conf. I
224899.7848 0.1108 -4.2413 3 179.8955279 89502 30346 541 45 640 a-Alanine, conf. I
224899.7848 0.1108 -4.2413 3 179.8955279 89502 30346 641 45 540 a-Alanine, conf. I
224899.7848 0.1108 -4.8001 3 179.8955279 89502 30346 641 45 640 a-Alanine, conf. I
224904.4109 0.3344 -5.4571 3 108.3565201 89502 303331221 321121 a-Alanine, conf. I
224916.1979 0.6141 -5.3638 3 618.2230417 89502 303694920 694821 a-Alanine, conf. I
224916.1979 0.6141 -5.3638 3 618.2230417 89502 303694921 694822 a-Alanine, conf. I
224931.5077 2.8805 -6.0205 3 410.4813441 89502 30373 172 73 073 a-Alanine, conf. I
224931.5077 2.8805 -6.0205 3 410.4813441 89502 30373 272 73 173 a-Alanine, conf. I
225008.1254 4.9531 -5.9866 3 1047.0215633 89502 303A52382 A52283 a-Alanine, conf. I
225008.1254 4.9531 -5.9866 3 1047.0215633 89502 303A52482 A52383 a-Alanine, conf. I
225093.0863 0.0827 -5.4865 3 96.9823189 89502 303311319 301219 a-Alanine, conf. I
225107.8057 0.5804 -5.3564 3 605.6812411 89502 303684919 684820 a-Alanine, conf. I
225107.8057 0.5804 -5.3564 3 605.6812411 89502 303684920 684821 a-Alanine, conf. I
225108.1140 5.9956 -6.1761 3 341.1617345 89502 303572433 572136 a-Alanine, conf. I
225160.5762 0.1122 -4.8479 3 164.9215249 89502 303411329 401328 a-Alanine, conf. I
225165.0121 0.1710 -5.0585 3 198.0727249 89502 303412516 402515 a-Alanine, conf. I
225165.0121 0.1710 -5.0585 3 198.0727249 89502 303412517 402516 a-Alanine, conf. I
225165.0236 1.9736 -5.5200 3 685.8029531 89502 303881276 881177 a-Alanine, conf. I
225165.0236 1.9736 -5.5200 3 685.8029531 89502 303881376 881277 a-Alanine, conf. I
225173.3071 2.1730 -5.4739 3 551.9738489 89502 30381 774 81 675 a-Alanine, conf. I
225173.3071 2.1730 -5.4739 3 551.9738489 89502 30381 874 81 775 a-Alanine, conf. I
225215.9950 3.0130 -5.7276 3 870.5791585 89502 303971879 971780 a-Alanine, conf. I
225215.9950 3.0130 -5.7276 3 870.5791585 89502 303971979 971880 a-Alanine, conf. I
225242.6403 2.5143 -5.5635 3 479.3914465 89502 30377 473 77 374 a-Alanine, conf. I
225242.6403 2.5143 -5.5635 3 479.3914465 89502 30377 573 77 474 a-Alanine, conf. I
225244.0397 2.8614 -5.9830 3 1077.1432591 89502 303985147 985048 a-Alanine, conf. I
225244.0397 2.8614 -5.9830 3 1077.1432591 89502 303985148 985049 a-Alanine, conf. I
225262.2176 1.6385 -5.6529 3 867.0897519 89502 303865036 864937 a-Alanine, conf. I
225262.2176 1.6385 -5.6529 3 867.0897519 89502 303865037 864938 a-Alanine, conf. I
225269.9778 0.1140 -4.3392 3 175.9478267 89502 30344 836 43 935 a-Alanine, conf. I
225269.9789 0.1140 -4.8241 3 175.9478267 89502 30344 936 43 935 a-Alanine, conf. I
225269.9805 0.1140 -4.8241 3 175.9478267 89502 30344 836 43 835 a-Alanine, conf. I
225269.9815 0.1140 -4.3392 3 175.9478267 89502 30344 936 43 835 a-Alanine, conf. I
225290.6459 0.5512 -5.3505 3 593.3237405 89502 303674918 674819 a-Alanine, conf. I
225290.6459 0.5512 -5.3505 3 593.3237405 89502 303674919 674820 a-Alanine, conf. I
225297.0591 4.8872 -6.1162 3 583.2234453 89502 303752946 752649 a-Alanine, conf. I
225317.0782 0.3739 -4.8857 3 165.8689243 89502 303401723 391722 a-Alanine, conf. I
225329.3677 2.4768 -5.3605 3 314.0575333 89502 303552233 542332 a-Alanine, conf. I
225375.8550 3.0891 -5.2591 3 256.7607303 89502 303501931 492030 a-Alanine, conf. I
225421.9712 2.1520 -5.5762 3 745.4191549 89502 303911477 911378 a-Alanine, conf. I
225421.9712 2.1520 -5.5762 3 745.4191549 89502 303911577 911478 a-Alanine, conf. I
225444.2857 2.5015 -5.6461 3 807.0169567 89502 303941678 941579 a-Alanine, conf. I
225444.2857 2.5015 -5.6461 3 807.0169567 89502 303941778 941679 a-Alanine, conf. I
225465.0025 0.5268 -5.3462 3 581.1505399 89502 303664917 664818 a-Alanine, conf. I
225465.0025 0.5268 -5.3462 3 581.1505399 89502 303664918 664819 a-Alanine, conf. I
225473.3035 1.5399 -4.9428 3 186.8103261 89502 303431528 421627 a-Alanine, conf. I
225527.8035 0.1855 -5.0296 3 194.3360249 89502 303412418 402417 a-Alanine, conf. I
225527.8036 0.1855 -5.0296 3 194.3360249 89502 303412417 402416 a-Alanine, conf. I
225533.5639 0.1102 -4.8463 3 164.8966249 89502 303411229 401228 a-Alanine, conf. I
225560.4910 0.5256 -4.8512 3 154.5580237 89502 303391524 381523 a-Alanine, conf. I
225585.0284 8.3357 -6.1142 3 524.2245429 89502 303712843 712546 a-Alanine, conf. I
225594.8976 2.0143 -6.2385 3 235.1449291 89502 303481831 481534 a-Alanine, conf. I
225599.2994 0.2235 -4.8575 3 161.6145243 89502 303401526 391525 a-Alanine, conf. I
225612.0864 0.0928 -5.9425 3 72.8159183 89502 30330 327 29 227 a-Alanine, conf. I
225612.0864 0.0928 -5.9425 3 72.8159183 89502 30330 427 29 327 a-Alanine, conf. I
225627.0296 1.5532 -5.6300 3 851.4089513 89502 303855035 854936 a-Alanine, conf. I
225627.0296 1.5532 -5.6300 3 851.4089513 89502 303855036 854937 a-Alanine, conf. I
225631.1521 0.5073 -5.3435 3 569.1613393 89502 303654916 654817 a-Alanine, conf. I
225631.1521 0.5073 -5.3435 3 569.1613393 89502 303654917 654818 a-Alanine, conf. I
225703.7487 0.2959 -4.8692 3 163.6456243 89502 303401625 391624 a-Alanine, conf. I
225757.8406 1.9149 -5.4560 3 366.2997357 89502 303592535 582632 a-Alanine, conf. I
225772.8627 2.7320 -5.9525 3 1059.2384585 89502 303975146 975047 a-Alanine, conf. I
225772.8627 2.7320 -5.9525 3 1059.2384585 89502 303975147 975048 a-Alanine, conf. I
225789.3642 0.4930 -5.3427 3 557.3562387 89502 303644915 644816 a-Alanine, conf. I
225789.3642 0.4930 -5.3427 3 557.3562387 89502 303644916 644817 a-Alanine, conf. I
225908.0218 0.1217 -4.5660 3 164.8966249 89502 303411329 401228 a-Alanine, conf. I
225930.1729 0.0272 -5.4141 3 80.4111141 89502 3032322 1 2221 1 a-Alanine, conf. I
225930.1729 0.0272 -4.2577 3 80.4111141 89502 3032322 1 2221 2 a-Alanine, conf. I
225930.1729 0.0272 -4.2577 3 80.4111141 89502 3032322 2 2221 1 a-Alanine, conf. I
225930.1729 0.0272 -5.4141 3 80.4111141 89502 3032322 2 2221 2 a-Alanine, conf. I
225935.6127 0.3509 -4.6716 3 167.1005249 89502 303411328 401427 a-Alanine, conf. I
225939.9022 0.4839 -5.3438 3 545.7350381 89502 303634914 634815 a-Alanine, conf. I
225939.9022 0.4839 -5.3438 3 545.7350381 89502 303634915 634816 a-Alanine, conf. I
225944.5239 4.0847 -5.8808 3 978.3013615 89502 303A22181 A22082 a-Alanine, conf. I
225944.5239 4.0847 -5.8808 3 978.3013615 89502 303A22281 A22182 a-Alanine, conf. I
225947.9372 0.2018 -5.0025 3 190.7727249 89502 303412319 402318 a-Alanine, conf. I
225947.9380 0.2018 -5.0025 3 190.7727249 89502 303412318 402317 a-Alanine, conf. I
225954.6157 2.0346 -5.4770 3 606.8960507 89502 30384 975 84 876 a-Alanine, conf. I
225954.6157 2.0346 -5.4770 3 606.8960507 89502 303841075 84 976 a-Alanine, conf. I
225955.8768 0.1979 -4.7590 3 184.7115297 89502 30349 148 48 147 a-Alanine, conf. I
225955.8768 0.1979 -4.1364 3 184.7115297 89502 30349 148 48 247 a-Alanine, conf. I
225955.8768 0.1979 -4.1364 3 184.7115297 89502 30349 248 48 147 a-Alanine, conf. I
225955.8768 0.1979 -4.7590 3 184.7115297 89502 30349 248 48 247 a-Alanine, conf. I
225977.9256 1.4709 -5.6078 3 835.9141507 89502 303845034 844935 a-Alanine, conf. I
225977.9256 1.4709 -5.6078 3 835.9141507 89502 303845035 844936 a-Alanine, conf. I
225978.6594 1.9980 -5.4551 3 366.2993357 89502 303592534 582633 a-Alanine, conf. I
225996.0459 0.6324 -6.1671 3 261.2990303 89502 303502130 501833 a-Alanine, conf. I
226007.9663 5.4773 -6.0559 3 1091.3572645 89502 303A72483 A72384 a-Alanine, conf. I
226007.9663 5.4773 -6.0559 3 1091.3572645 89502 303A72583 A72484 a-Alanine, conf. I
226078.8413 0.1140 -4.4831 3 169.9401255 89502 303421131 411230 a-Alanine, conf. I
226083.0225 0.4800 -5.3473 3 534.2976375 89502 303624913 624814 a-Alanine, conf. I
226083.0225 0.4800 -5.3473 3 534.2976375 89502 303624914 624815 a-Alanine, conf. I
226098.1862 0.1139 -4.8410 3 169.9401255 89502 303421231 411230 a-Alanine, conf. I
226121.1625 0.1139 -4.8409 3 169.9387255 89502 303421131 411130 a-Alanine, conf. I
226140.5074 0.1139 -4.4828 3 169.9387255 89502 303421231 411130 a-Alanine, conf. I
226181.5607 0.1575 -5.4747 3 58.7730153 89502 30325 917 24 618 a-Alanine, conf. I
226218.9758 0.4809 -5.3533 3 523.0439369 89502 303614912 614813 a-Alanine, conf. I
226218.9758 0.4809 -5.3533 3 523.0439369 89502 303614913 614814 a-Alanine, conf. I
226245.9515 2.6749 -5.6433 3 459.9181459 89502 30376 373 76 274 a-Alanine, conf. I
226245.9515 2.6749 -5.6433 3 459.9181459 89502 30376 473 76 374 a-Alanine, conf. I
226282.9291 2.6074 -5.9226 3 1041.5207579 89502 303965145 965046 a-Alanine, conf. I
226282.9291 2.6074 -5.9226 3 1041.5207579 89502 303965146 965047 a-Alanine, conf. I
226296.7004 0.1189 -4.7874 3 183.2702285 89502 30347 443 46 442 a-Alanine, conf. I
226296.7004 0.1189 -4.2094 3 183.2702285 89502 30347 443 46 542 a-Alanine, conf. I
226296.7004 0.1189 -4.2094 3 183.2702285 89502 30347 543 46 442 a-Alanine, conf. I
226296.7004 0.1189 -4.7874 3 183.2702285 89502 30347 543 46 542 a-Alanine, conf. I
226301.7167 2.3146 -5.4935 3 531.5857483 89502 30380 674 80 575 a-Alanine, conf. I
226301.7167 2.3146 -5.4935 3 531.5857483 89502 30380 774 80 675 a-Alanine, conf. I
226315.3365 1.3917 -5.5863 3 820.6051501 89502 303835033 834934 a-Alanine, conf. I
226315.3365 1.3917 -5.5863 3 820.6051501 89502 303835034 834935 a-Alanine, conf. I
226348.0068 0.4864 -5.3622 3 511.9738363 89502 303604911 604812 a-Alanine, conf. I
226348.0068 0.4864 -5.3622 3 511.9738363 89502 303604912 604813 a-Alanine, conf. I
226440.0026 0.2202 -4.9769 3 187.3865249 89502 303412220 402219 a-Alanine, conf. I
226440.0154 0.2202 -4.9769 3 187.3865249 89502 303412219 402218 a-Alanine, conf. I
226440.8702 0.1149 -6.1022 3 70.0466183 89502 30330 228 29 128 a-Alanine, conf. I
226440.8702 0.1149 -6.1022 3 70.0466183 89502 30330 328 29 228 a-Alanine, conf. I
226470.3546 0.4959 -5.3744 3 501.0872357 89502 303594910 594811 a-Alanine, conf. I
226470.3546 0.4959 -5.3744 3 501.0872357 89502 303594911 594812 a-Alanine, conf. I
226523.6110 1.5696 -6.1573 3 268.2413309 89502 303512032 511735 a-Alanine, conf. I
226534.4833 1.9871 -5.5067 3 663.8385525 89502 303871176 871077 a-Alanine, conf. I
226534.4833 1.9871 -5.5067 3 663.8385525 89502 303871276 871177 a-Alanine, conf. I
226545.1366 0.5598 -6.1493 3 270.8606309 89502 303512131 511834 a-Alanine, conf. I
226581.0804 3.3544 -5.7837 3 911.4987597 89502 303991980 991881 a-Alanine, conf. I
226581.0804 3.3544 -5.7837 3 911.4987597 89502 303992080 991981 a-Alanine, conf. I
226586.2526 0.5090 -5.3906 3 490.3841351 89502 3035849 9 584810 a-Alanine, conf. I
226586.2526 0.5090 -5.3906 3 490.3841351 89502 303584910 584811 a-Alanine, conf. I
226628.6411 0.1145 -4.2981 3 179.9669273 89502 30345 738 44 837 a-Alanine, conf. I
226628.6411 0.1145 -4.8126 3 179.9669273 89502 30345 838 44 837 a-Alanine, conf. I
226628.6412 0.1145 -4.8126 3 179.9669273 89502 30345 738 44 737 a-Alanine, conf. I
226628.6412 0.1145 -4.2981 3 179.9669273 89502 30345 838 44 737 a-Alanine, conf. I
226639.6785 1.3154 -5.5656 3 805.4818495 89502 303825032 824933 a-Alanine, conf. I
226639.6785 1.3154 -5.5656 3 805.4818495 89502 303825033 824934 a-Alanine, conf. I
226664.9622 0.0205 -5.4245 3 81.3878147 89502 3032421 3 2320 3 a-Alanine, conf. I
226664.9622 0.0205 -4.2847 3 81.3878147 89502 3032421 3 2320 4 a-Alanine, conf. I
226664.9622 0.0205 -4.2847 3 81.3878147 89502 3032421 4 2320 3 a-Alanine, conf. I
226664.9622 0.0205 -5.4245 3 81.3878147 89502 3032421 4 2320 4 a-Alanine, conf. I
226684.4262 0.1553 -5.5848 3 89.9009189 89502 30331 823 30 723 a-Alanine, conf. I
226695.9292 0.5252 -5.4114 3 479.8642345 89502 3035749 8 5748 9 a-Alanine, conf. I
226695.9292 0.5252 -5.4114 3 479.8642345 89502 3035749 9 574810 a-Alanine, conf. I
226759.0804 0.8493 -6.1927 3 251.8996297 89502 303492129 491832 a-Alanine, conf. I
226763.6434 0.1511 -5.5845 3 89.9016189 89502 30331 923 30 823 a-Alanine, conf. I
226774.8538 2.4876 -5.8933 3 1023.9900573 89502 303955144 955045 a-Alanine, conf. I
226774.8538 2.4876 -5.8933 3 1023.9900573 89502 303955145 955046 a-Alanine, conf. I
226799.6076 0.5439 -5.4379 3 469.5276339 89502 3035649 7 5648 8 a-Alanine, conf. I
226799.6076 0.5439 -5.4379 3 469.5276339 89502 3035649 8 5648 9 a-Alanine, conf. I
226827.6572 3.7954 -6.2146 3 1215.1002633 89502 303A55253 A55154 a-Alanine, conf. I
226827.6572 3.7954 -6.2146 3 1215.1002633 89502 303A55254 A55155 a-Alanine, conf. I
226897.5059 0.5646 -5.4716 3 459.3742333 89502 3035549 6 5548 7 a-Alanine, conf. I
226897.5059 0.5646 -5.4716 3 459.3742333 89502 3035549 7 5548 8 a-Alanine, conf. I
226901.0984 2.0782 -5.5557 3 722.7861543 89502 303901377 901278 a-Alanine, conf. I
226901.0984 2.0782 -5.5557 3 722.7861543 89502 303901477 901378 a-Alanine, conf. I
226928.8391 6.0425 -6.1279 3 1136.5285657 89502 303A92584 A92485 a-Alanine, conf. I
226928.8391 6.0425 -6.1279 3 1136.5285657 89502 303A92684 A92585 a-Alanine, conf. I
226940.2270 2.7678 -5.6964 3 846.6332579 89502 303961779 961680 a-Alanine, conf. I
226940.2270 2.7678 -5.6964 3 846.6332579 89502 303961879 961780 a-Alanine, conf. I
226951.3532 1.2421 -5.5457 3 790.5441489 89502 303815031 814932 a-Alanine, conf. I
226951.3532 1.2421 -5.5457 3 790.5441489 89502 303815032 814933 a-Alanine, conf. I
226958.5095 1.8972 -5.4201 3 351.9670351 89502 303582435 572532 a-Alanine, conf. I
226980.1435 0.1240 -4.8402 3 159.3770243 89502 303401327 391326 a-Alanine, conf. I
226989.8376 0.5870 -5.5144 3 449.4038327 89502 3035449 5 5448 6 a-Alanine, conf. I
226989.8376 0.5870 -5.5144 3 449.4038327 89502 3035449 6 5448 7 a-Alanine, conf. I
227024.6455 0.2410 -4.9526 3 184.1820249 89502 303412121 402120 a-Alanine, conf. I
227024.8259 0.2411 -4.9526 3 184.1820249 89502 303412120 402119 a-Alanine, conf. I
227041.2873 2.3379 -5.6198 3 783.7232561 89502 303931578 931479 a-Alanine, conf. I
227041.2873 2.3379 -5.6198 3 783.7232561 89502 303931678 931579 a-Alanine, conf. I
227076.8113 0.6107 -5.5699 3 439.6163321 89502 3035349 4 5348 5 a-Alanine, conf. I
227076.8113 0.6107 -5.5699 3 439.6163321 89502 3035349 5 5348 6 a-Alanine, conf. I
227098.4245 4.5352 -5.9452 3 1021.3586627 89502 303A42282 A42183 a-Alanine, conf. I
227098.4245 4.5352 -5.9452 3 1021.3586627 89502 303A42382 A42283 a-Alanine, conf. I
227136.3517 12.0366 -6.1287 3 475.9057411 89502 303682543 682246 a-Alanine, conf. I
227158.6313 0.6353 -5.6433 3 430.0117315 89502 3035249 3 5248 4 a-Alanine, conf. I
227158.6313 0.6353 -5.6433 3 430.0117315 89502 3035249 4 5248 5 a-Alanine, conf. I
227175.5426 2.1445 -5.4792 3 585.8213501 89502 30383 875 83 776 a-Alanine, conf. I
227175.5426 2.1445 -5.4792 3 585.8213501 89502 30383 975 83 876 a-Alanine, conf. I
227203.0860 0.1171 -4.4190 3 174.6853261 89502 303431033 421132 a-Alanine, conf. I
227203.7950 0.1171 -4.8325 3 174.6853261 89502 303431133 421132 a-Alanine, conf. I
227204.7465 0.1171 -4.8325 3 174.6852261 89502 303431033 421032 a-Alanine, conf. I
227205.4555 0.1171 -4.4190 3 174.6852261 89502 303431133 421032 a-Alanine, conf. I
227212.6718 2.8383 -5.7747 3 440.6678453 89502 30375 273 75 174 a-Alanine, conf. I
227212.6718 2.8383 -5.7747 3 440.6678453 89502 30375 373 75 274 a-Alanine, conf. I
227235.4972 0.6607 -5.7450 3 420.5899309 89502 3035149 2 5148 3 a-Alanine, conf. I
227235.4972 0.6607 -5.7450 3 420.5899309 89502 3035149 3 5148 4 a-Alanine, conf. I
227249.2244 2.3721 -5.8647 3 1006.6461567 89502 303945143 945044 a-Alanine, conf. I
227249.2244 2.3721 -5.8647 3 1006.6461567 89502 303945144 945045 a-Alanine, conf. I
227250.7491 1.1716 -5.5266 3 775.7919483 89502 303805030 804931 a-Alanine, conf. I
227250.7491 1.1716 -5.5266 3 775.7919483 89502 303805031 804932 a-Alanine, conf. I
227307.6045 0.6866 -5.8981 3 411.3508303 89502 3035049 1 5048 2 a-Alanine, conf. I
227307.6045 0.6866 -5.8981 3 411.3508303 89502 3035049 2 5048 3 a-Alanine, conf. I
227320.7314 0.2527 -4.7455 3 187.2806303 89502 30350 050 49 049 a-Alanine, conf. I
227320.7314 0.2527 -4.1108 3 187.2806303 89502 30350 050 49 149 a-Alanine, conf. I
227320.7314 0.2527 -4.1108 3 187.2806303 89502 30350 150 49 049 a-Alanine, conf. I
227320.7314 0.2527 -4.7455 3 187.2806303 89502 30350 150 49 149 a-Alanine, conf. I
227321.1387 0.0472 -5.4493 3 109.4353201 89502 303331320 321220 a-Alanine, conf. I
227375.1442 0.7128 -6.1765 3 402.2944297 89502 3034949 0 4948 1 a-Alanine, conf. I
227375.1442 0.7128 -6.1765 3 402.2944297 89502 3034949 1 4948 2 a-Alanine, conf. I
227386.6693 0.0191 -5.4339 3 82.7181153 89502 3032520 5 2419 5 a-Alanine, conf. I
227386.6693 0.0191 -4.3136 3 82.7181153 89502 3032520 5 2419 6 a-Alanine, conf. I
227386.6693 0.0191 -4.3136 3 82.7181153 89502 3032520 6 2419 5 a-Alanine, conf. I
227386.6693 0.0191 -5.4339 3 82.7181153 89502 3032520 6 2419 6 a-Alanine, conf. I
227389.1641 2.4672 -5.5259 3 511.4160477 89502 30379 574 79 475 a-Alanine, conf. I
227389.1641 2.4672 -5.5259 3 511.4160477 89502 30379 674 79 575 a-Alanine, conf. I
227454.1043 3.6312 -6.1802 3 1195.9036627 89502 303A45252 A45153 a-Alanine, conf. I
227454.1043 3.6312 -6.1802 3 1195.9036627 89502 303A45253 A45154 a-Alanine, conf. I
227538.2419 1.1040 -5.5084 3 761.2250477 89502 303795029 794930 a-Alanine, conf. I
227538.2419 1.1040 -5.5084 3 761.2250477 89502 303795030 794931 a-Alanine, conf. I
227587.7618 0.2830 -4.8287 3 153.1982237 89502 303391425 381424 a-Alanine, conf. I
227588.6757 7.0770 -6.1348 3 612.3472465 89502 303772948 772651 a-Alanine, conf. I
227690.1460 0.1369 -4.7746 3 186.4529291 89502 30348 345 47 344 a-Alanine, conf. I
227690.1460 0.1369 -4.1798 3 186.4529291 89502 30348 345 47 444 a-Alanine, conf. I
227690.1460 0.1369 -4.1798 3 186.4529291 89502 30348 445 47 344 a-Alanine, conf. I
227690.1460 0.1369 -4.7746 3 186.4529291 89502 30348 445 47 444 a-Alanine, conf. I
227706.6029 2.2609 -5.8367 3 989.4889561 89502 303935142 935043 a-Alanine, conf. I
227706.6029 2.2609 -5.8367 3 989.4889561 89502 303935143 935044 a-Alanine, conf. I
227706.7419 2.1484 -5.4169 3 351.9655351 89502 303582434 572533 a-Alanine, conf. I
227713.8428 0.1154 -5.6977 3 51.1772147 89502 30324 618 23 519 a-Alanine, conf. I
227732.1016 0.2652 -4.9295 3 181.1656249 89502 303412022 402021 a-Alanine, conf. I
227734.2617 0.2656 -4.9295 3 181.1657249 89502 303412021 402020 a-Alanine, conf. I
227768.1727 6.6508 -6.2026 3 1182.5325669 89502 303B12685 B12586 a-Alanine, conf. I
227768.1727 6.6508 -6.2026 3 1182.5325669 89502 303B12785 B12686 a-Alanine, conf. I
227775.2455 6.1330 -6.2302 3 297.4816327 89502 303541935 541638 a-Alanine, conf. I
227814.1957 1.0394 -5.4910 3 746.8434471 89502 303785028 784929 a-Alanine, conf. I
227814.1957 1.0394 -5.4910 3 746.8434471 89502 303785029 784930 a-Alanine, conf. I
227854.0165 2.0413 -5.4976 3 642.0841519 89502 303861076 86 977 a-Alanine, conf. I
227854.0165 2.0413 -5.4976 3 642.0841519 89502 303861176 861077 a-Alanine, conf. I
227878.5214 3.7330 -5.8430 3 953.2673609 89502 303A12081 A11982 a-Alanine, conf. I
227878.5214 3.7330 -5.8430 3 953.2673609 89502 303A12181 A12082 a-Alanine, conf. I
227933.2436 0.1101 -5.6971 3 51.1772147 89502 30324 718 23 419 a-Alanine, conf. I
227996.1509 0.2230 -4.7395 3 96.9823189 89502 303311318 301219 a-Alanine, conf. I
228010.9833 0.9083 -5.3639 3 311.1634333 89502 303552135 542232 a-Alanine, conf. I
228011.4789 0.1150 -4.8008 3 183.7814279 89502 30346 640 45 639 a-Alanine, conf. I
228011.4789 0.1150 -4.2613 3 183.7814279 89502 30346 640 45 739 a-Alanine, conf. I
228011.4789 0.1150 -4.2613 3 183.7814279 89502 30346 740 45 639 a-Alanine, conf. I
228011.4789 0.1150 -4.8008 3 183.7814279 89502 30346 740 45 739 a-Alanine, conf. I
228037.3794 10.8742 -6.1317 3 580.2466453 89502 303752847 752550 a-Alanine, conf. I
228059.0014 3.4736 -6.1464 3 1176.8945621 89502 303A35251 A35152 a-Alanine, conf. I
228059.0014 3.4736 -6.1464 3 1176.8945621 89502 303A35252 A35153 a-Alanine, conf. I
228078.9630 0.9776 -5.4744 3 732.6469465 89502 303775027 774928 a-Alanine, conf. I
228078.9630 0.9776 -5.4744 3 732.6469465 89502 303775028 774929 a-Alanine, conf. I
228082.6947 0.0213 -5.4424 3 84.4075159 89502 3032619 7 2518 7 a-Alanine, conf. I
228082.6947 0.0213 -4.3450 3 84.4075159 89502 3032619 7 2518 8 a-Alanine, conf. I
228082.6947 0.0213 -4.3450 3 84.4075159 89502 3032619 8 2518 7 a-Alanine, conf. I
228082.6947 0.0213 -5.4424 3 84.4075159 89502 3032619 8 2518 8 a-Alanine, conf. I
228144.2129 3.0029 -6.0316 3 421.6417447 89502 30374 173 74 074 a-Alanine, conf. I
228144.2129 3.0029 -6.0316 3 421.6417447 89502 30374 273 74 174 a-Alanine, conf. I
228147.5279 2.1536 -5.8094 3 972.5182555 89502 303925141 925042 a-Alanine, conf. I
228147.5279 2.1536 -5.8094 3 972.5182555 89502 303925142 925043 a-Alanine, conf. I
228178.4612 5.0242 -6.0126 3 1065.2570639 89502 303A62383 A62284 a-Alanine, conf. I
228178.4612 5.0242 -6.0126 3 1065.2570639 89502 303A62483 A62384 a-Alanine, conf. I
228198.7259 1.7999 -5.3875 3 337.9924345 89502 303572335 562432 a-Alanine, conf. I
228238.6128 0.2502 -6.0395 3 281.3032255 89502 3034240 2 4140 1 a-Alanine, conf. I
228238.6128 0.2502 -6.0395 3 281.3032255 89502 3034240 3 4140 2 a-Alanine, conf. I
228255.3712 0.0564 -4.6209 3 98.7267189 89502 303311418 301317 a-Alanine, conf. I
228275.0540 3.1941 -5.2873 3 278.4173315 89502 303522032 512131 a-Alanine, conf. I
228277.6767 0.3117 -5.5138 3 99.3622195 89502 303321022 31 922 a-Alanine, conf. I
228318.3138 0.2301 -5.8556 3 275.1275255 89502 3034239 3 4139 2 a-Alanine, conf. I
228318.3138 0.2301 -5.8556 3 275.1275255 89502 3034239 4 4139 3 a-Alanine, conf. I
228326.0189 2.0528 -5.5383 3 700.3595537 89502 303891277 891178 a-Alanine, conf. I
228326.0189 2.0528 -5.5383 3 700.3595537 89502 303891377 891278 a-Alanine, conf. I
228332.8860 0.9189 -5.4589 3 718.6354459 89502 303765026 764927 a-Alanine, conf. I
228332.8860 0.9189 -5.4589 3 718.6354459 89502 303765027 764928 a-Alanine, conf. I
228352.3337 2.2755 -5.4889 3 564.9617495 89502 30382 775 82 676 a-Alanine, conf. I
228352.3337 2.2755 -5.4889 3 564.9617495 89502 30382 875 82 776 a-Alanine, conf. I
228372.1459 3.0725 -5.7500 3 887.1033591 89502 303981880 981781 a-Alanine, conf. I
228372.1459 3.0725 -5.7500 3 887.1033591 89502 303981980 981881 a-Alanine, conf. I
228398.3056 0.5084 -5.2473 3 76.0873171 89502 303281018 27 919 a-Alanine, conf. I
228405.3174 0.2113 -5.7232 3 269.1109255 89502 3034238 4 4138 3 a-Alanine, conf. I
228405.3174 0.2113 -5.7232 3 269.1109255 89502 3034238 5 4138 4 a-Alanine, conf. I
228437.3148 2.6273 -5.5766 3 491.4662471 89502 30378 474 78 375 a-Alanine, conf. I
228437.3148 2.6273 -5.5766 3 491.4662471 89502 30378 574 78 475 a-Alanine, conf. I
228448.4287 0.1195 -4.3669 3 179.1859267 89502 30344 935 431034 a-Alanine, conf. I
228448.4480 0.1195 -4.8227 3 179.1859267 89502 303441035 431034 a-Alanine, conf. I
228448.4764 0.1195 -4.8227 3 179.1858267 89502 30344 935 43 934 a-Alanine, conf. I
228448.4957 0.1195 -4.3669 3 179.1858267 89502 303441035 43 934 a-Alanine, conf. I
228472.4783 0.5297 -4.8576 3 163.7549243 89502 303401624 391623 a-Alanine, conf. I
228483.5222 0.1339 -4.8420 3 167.1005249 89502 303411428 401427 a-Alanine, conf. I
228500.4264 0.1941 -5.6192 3 263.2535255 89502 3034237 5 4137 4 a-Alanine, conf. I
228500.4264 0.1941 -5.6192 3 263.2535255 89502 3034237 6 4137 5 a-Alanine, conf. I
228522.7467 0.8319 -4.7781 3 176.8402255 89502 303421428 411527 a-Alanine, conf. I
228523.2183 0.1209 -5.6237 3 87.7372189 89502 30331 724 30 624 a-Alanine, conf. I
228530.2036 0.1205 -5.6237 3 87.7372189 89502 30331 824 30 724 a-Alanine, conf. I
228572.5161 2.0502 -5.7827 3 955.7339549 89502 303915140 915041 a-Alanine, conf. I
228572.5161 2.0502 -5.7827 3 955.7339549 89502 303915141 915042 a-Alanine, conf. I
228576.2966 0.8632 -5.4442 3 704.8087453 89502 303755025 754926 a-Alanine, conf. I
228576.2966 0.8632 -5.4442 3 704.8087453 89502 303755026 754927 a-Alanine, conf. I
228579.2106 2.2213 -5.5959 3 760.6320555 89502 303921478 921379 a-Alanine, conf. I
228579.2106 2.2213 -5.5959 3 760.6320555 89502 303921578 921479 a-Alanine, conf. I
228587.4906 0.8578 -6.1402 3 280.5780315 89502 303522132 521835 a-Alanine, conf. I
228589.2632 1.0275 -6.2245 3 242.6699291 89502 303482128 481831 a-Alanine, conf. I
228599.7834 2.5636 -5.6672 3 822.8856573 89502 303951679 951580 a-Alanine, conf. I
228599.7834 2.5636 -5.6672 3 822.8856573 89502 303951779 951680 a-Alanine, conf. I
228604.5644 0.1786 -5.5332 3 257.5559255 89502 3034236 6 4136 5 a-Alanine, conf. I
228604.5644 0.1786 -5.5332 3 257.5559255 89502 3034236 7 4136 6 a-Alanine, conf. I
228605.0253 0.2937 -4.9072 3 178.3464249 89502 303411923 401922 a-Alanine, conf. I
228626.6210 0.2969 -4.9071 3 178.3469249 89502 303411922 401921 a-Alanine, conf. I
228643.0837 3.3224 -6.1132 3 1158.0728615 89502 303A25250 A25151 a-Alanine, conf. I
228643.0837 3.3224 -6.1132 3 1158.0728615 89502 303A25251 A25152 a-Alanine, conf. I
228674.2829 0.0413 -5.4702 3 98.7267189 89502 303311417 301317 a-Alanine, conf. I
228683.2230 0.0644 -6.0668 3 43.5491141 89502 30323 419 22 320 a-Alanine, conf. I
228685.7561 0.0643 -6.0668 3 43.5491141 89502 30323 519 22 220 a-Alanine, conf. I
228718.7982 0.1653 -5.4599 3 252.0182255 89502 3034235 7 4135 6 a-Alanine, conf. I
228718.7982 0.1653 -5.4599 3 252.0182255 89502 3034235 8 4135 7 a-Alanine, conf. I
228731.5357 0.0249 -4.3800 3 86.4636165 89502 303271810 2617 9 a-Alanine, conf. I
228731.5358 0.0249 -5.4498 3 86.4636165 89502 3032718 9 2617 9 a-Alanine, conf. I
228731.5361 0.0249 -5.4498 3 86.4636165 89502 303271810 261710 a-Alanine, conf. I
228731.5362 0.0249 -4.3800 3 86.4636165 89502 3032718 9 261710 a-Alanine, conf. I
228736.6045 9.5401 -6.1679 3 381.6166369 89502 303612239 611942 a-Alanine, conf. I
228809.5172 0.8108 -5.4306 3 691.1669447 89502 303745024 744925 a-Alanine, conf. I
228809.5172 0.8108 -5.4306 3 691.1669447 89502 303745025 744926 a-Alanine, conf. I
228825.4494 2.1897 -5.7960 3 523.4157417 89502 303693436 683533 a-Alanine, conf. I
228825.4506 2.1897 -5.7960 3 523.4157417 89502 303693435 683534 a-Alanine, conf. I
228844.3677 0.1545 -5.3960 3 246.6411255 89502 3034234 8 4134 7 a-Alanine, conf. I
228844.3677 0.1545 -5.3960 3 246.6411255 89502 3034234 9 4134 8 a-Alanine, conf. I
228853.5694 2.1591 -5.7540 3 505.8056411 89502 303683336 673433 a-Alanine, conf. I
228853.5750 2.1591 -5.7540 3 505.8056411 89502 303683335 673434 a-Alanine, conf. I
228857.4917 2.2233 -5.8386 3 541.3660423 89502 303703536 693633 a-Alanine, conf. I
228857.4919 2.2233 -5.8386 3 541.3660423 89502 303703535 693634 a-Alanine, conf. I
228941.1558 2.2594 -5.8817 3 559.6559429 89502 303713635 703734 a-Alanine, conf. I
228941.1558 2.2594 -5.8817 3 559.6559429 89502 303713636 703733 a-Alanine, conf. I
228952.3872 2.1320 -5.7124 3 488.5365405 89502 303673236 663333 a-Alanine, conf. I
228952.4137 2.1320 -5.7124 3 488.5365405 89502 303673235 663334 a-Alanine, conf. I
228952.9266 1.5150 -5.3639 3 324.3851339 89502 303562235 552332 a-Alanine, conf. I
228982.0634 1.9505 -5.7567 3 939.1358543 89502 303905139 905040 a-Alanine, conf. I
228982.0634 1.9505 -5.7567 3 939.1358543 89502 303905140 905041 a-Alanine, conf. I
228982.7214 0.1466 -5.3392 3 241.4249255 89502 3034233 9 4133 8 a-Alanine, conf. I
228982.7214 0.1466 -5.3392 3 241.4249255 89502 303423310 4133 9 a-Alanine, conf. I
229008.1750 2.1038 -6.1995 3 256.0706303 89502 303501932 501635 a-Alanine, conf. I
229032.8612 0.7618 -5.4181 3 677.7097441 89502 303735023 734924 a-Alanine, conf. I
229032.8612 0.7618 -5.4181 3 677.7097441 89502 303735024 734925 a-Alanine, conf. I
229069.4314 2.2977 -5.9254 3 578.2850435 89502 303723735 713834 a-Alanine, conf. I
229069.4314 2.2977 -5.9254 3 578.2850435 89502 303723736 713833 a-Alanine, conf. I
229075.6463 0.1675 -4.7617 3 189.4453297 89502 30349 247 48 246 a-Alanine, conf. I
229075.6463 0.1675 -4.1520 3 189.4453297 89502 30349 247 48 346 a-Alanine, conf. I
229075.6463 0.1675 -4.1520 3 189.4453297 89502 30349 347 48 246 a-Alanine, conf. I
229075.6463 0.1675 -4.7617 3 189.4453297 89502 30349 347 48 346 a-Alanine, conf. I
229106.4957 4.1490 -5.9054 3 995.8822621 89502 303A32182 A32083 a-Alanine, conf. I
229106.4957 4.1490 -5.9054 3 995.8822621 89502 303A32282 A32183 a-Alanine, conf. I
229125.8781 2.1296 -5.4934 3 620.5415513 89502 30385 976 85 877 a-Alanine, conf. I
229125.8781 2.1296 -5.4934 3 620.5415513 89502 303851076 85 977 a-Alanine, conf. I
229135.0815 2.1092 -5.6714 3 471.6091399 89502 303663136 653233 a-Alanine, conf. I
229135.2030 2.1093 -5.6714 3 471.6091399 89502 303663135 653234 a-Alanine, conf. I
229135.5635 0.1418 -5.2881 3 236.3702255 89502 303423210 4132 9 a-Alanine, conf. I
229135.5635 0.1418 -5.2881 3 236.3702255 89502 303423211 413210 a-Alanine, conf. I
229182.4177 5.5530 -6.0827 3 1109.9938651 89502 303A82484 A82385 a-Alanine, conf. I
229182.4177 5.5530 -6.0827 3 1109.9938651 89502 303A82584 A82485 a-Alanine, conf. I
229207.0502 3.1770 -6.0806 3 1139.4383609 89502 303A15249 A15150 a-Alanine, conf. I
229207.0502 3.1770 -6.0806 3 1139.4383609 89502 303A15250 A15151 a-Alanine, conf. I
229236.4997 2.3379 -5.9696 3 597.2527441 89502 303733835 723934 a-Alanine, conf. I
229236.4997 2.3379 -5.9696 3 597.2527441 89502 303733836 723933 a-Alanine, conf. I
229246.6332 0.7163 -5.4066 3 664.4370435 89502 303725022 724923 a-Alanine, conf. I
229246.6332 0.7163 -5.4066 3 664.4370435 89502 303725023 724924 a-Alanine, conf. I
229295.2292 0.0290 -4.4200 3 88.8974171 89502 303281712 271611 a-Alanine, conf. I
229295.2355 0.0290 -5.4561 3 88.8974171 89502 303281711 271611 a-Alanine, conf. I
229295.2662 0.0290 -5.4561 3 88.8974171 89502 303281712 271612 a-Alanine, conf. I
229295.2725 0.0290 -4.4200 3 88.8974171 89502 303281711 271612 a-Alanine, conf. I
229304.9134 0.1404 -5.2418 3 231.4776255 89502 303423111 413110 a-Alanine, conf. I
229304.9134 0.1404 -5.2418 3 231.4776255 89502 303423112 413111 a-Alanine, conf. I
229376.2494 0.1839 -5.4851 3 101.1453195 89502 303321221 311121 a-Alanine, conf. I
229376.2904 5.2938 -5.7586 3 365.7196363 89502 303602140 592237 a-Alanine, conf. I
229376.6466 1.8543 -5.7314 3 922.7239537 89502 303895138 895039 a-Alanine, conf. I
229376.6466 1.8543 -5.7314 3 922.7239537 89502 303895139 895040 a-Alanine, conf. I
229398.4764 0.1241 -4.5364 3 172.4321255 89502 303421230 411329 a-Alanine, conf. I
229404.7532 0.1180 -4.7888 3 187.3974285 89502 30347 542 46 541 a-Alanine, conf. I
229404.7532 0.1180 -4.2279 3 187.3974285 89502 30347 542 46 641 a-Alanine, conf. I
229404.7532 0.1180 -4.2279 3 187.3974285 89502 30347 642 46 541 a-Alanine, conf. I
229404.7532 0.1180 -4.7888 3 187.3974285 89502 30347 642 46 641 a-Alanine, conf. I
229418.3720 2.0916 -5.6309 3 455.0243393 89502 303653036 643133 a-Alanine, conf. I
229418.9077 2.0920 -5.6309 3 455.0243393 89502 303653035 643134 a-Alanine, conf. I
229437.4832 2.3797 -6.0145 3 616.5587447 89502 303743935 734034 a-Alanine, conf. I
229437.4832 2.3797 -6.0145 3 616.5587447 89502 303743936 734033 a-Alanine, conf. I
229447.7290 2.7922 -5.6559 3 471.7378465 89502 30377 374 77 275 a-Alanine, conf. I
229447.7290 2.7922 -5.6559 3 471.7378465 89502 30377 474 77 375 a-Alanine, conf. I
229451.1298 0.6747 -5.3964 3 651.3489429 89502 303715021 714922 a-Alanine, conf. I
229451.1298 0.6747 -5.3964 3 651.3489429 89502 303715022 714923 a-Alanine, conf. I
229486.8478 2.4218 -5.5080 3 544.3189489 89502 30381 675 81 576 a-Alanine, conf. I
229486.8478 2.4218 -5.5080 3 544.3189489 89502 30381 775 81 676 a-Alanine, conf. I
229493.1834 0.1424 -5.1995 3 226.7480255 89502 303423012 413011 a-Alanine, conf. I
229493.1834 0.1424 -5.1995 3 226.7480255 89502 303423013 413012 a-Alanine, conf. I
229581.4447 0.1184 -4.8356 3 172.4321255 89502 303421330 411329 a-Alanine, conf. I
229646.6397 0.6372 -5.3874 3 638.4450423 89502 303705020 704921 a-Alanine, conf. I
229646.6397 0.6372 -5.3874 3 638.4450423 89502 303705021 704922 a-Alanine, conf. I
229668.2573 2.4232 -6.0599 3 636.2025453 89502 303754035 744134 a-Alanine, conf. I
229668.2573 2.4232 -6.0599 3 636.2025453 89502 303754036 744133 a-Alanine, conf. I
229678.4609 0.3239 -4.8856 3 175.7367249 89502 303411824 401823 a-Alanine, conf. I
229685.4367 0.0498 -5.4672 3 98.6790189 89502 303311418 301318 a-Alanine, conf. I
229699.2980 2.0730 -5.5245 3 678.1410531 89502 303881177 881078 a-Alanine, conf. I
229699.2980 2.0730 -5.5245 3 678.1410531 89502 303881277 881178 a-Alanine, conf. I
229701.2030 0.0334 -4.4679 3 91.7259177 89502 303291614 281513 a-Alanine, conf. I
229701.6218 0.0334 -5.4612 3 91.7259177 89502 303291613 281513 a-Alanine, conf. I
229703.2821 0.1475 -5.1605 3 222.1823255 89502 303422913 412912 a-Alanine, conf. I
229703.2821 0.1475 -5.1605 3 222.1823255 89502 303422914 412913 a-Alanine, conf. I
229703.3214 0.0335 -5.4611 3 91.7258177 89502 303291614 281514 a-Alanine, conf. I
229703.7402 0.0335 -4.4679 3 91.7258177 89502 303291613 281514 a-Alanine, conf. I
229738.4321 3.4151 -5.8071 3 928.4246603 89502 303A01981 A01882 a-Alanine, conf. I
229738.4321 3.4151 -5.8071 3 928.4246603 89502 303A02081 A01982 a-Alanine, conf. I
229751.5665 3.0372 -6.0486 3 1120.9908603 89502 303A05248 A05149 a-Alanine, conf. I
229751.5665 3.0372 -6.0486 3 1120.9908603 89502 303A05249 A05150 a-Alanine, conf. I
229756.7078 0.0370 -4.5293 3 94.9777183 89502 303301516 291415 a-Alanine, conf. I
229756.7245 1.7615 -5.7067 3 906.4980531 89502 303885137 885038 a-Alanine, conf. I
229756.7245 1.7615 -5.7067 3 906.4980531 89502 303885138 885039 a-Alanine, conf. I
229769.9336 0.1209 -4.3222 3 183.4620273 89502 30345 837 44 936 a-Alanine, conf. I
229769.9340 0.1209 -4.8122 3 183.4620273 89502 30345 937 44 936 a-Alanine, conf. I
229769.9346 0.1209 -4.8122 3 183.4620273 89502 30345 837 44 836 a-Alanine, conf. I
229769.9350 0.1209 -4.3222 3 183.4620273 89502 30345 937 44 836 a-Alanine, conf. I
229772.9343 0.1172 -4.8348 3 172.4196255 89502 303421230 411229 a-Alanine, conf. I
229773.7656 0.0373 -5.4652 3 94.9777183 89502 303301515 291415 a-Alanine, conf. I
229823.6992 2.0806 -5.5909 3 438.7833387 89502 303642936 633033 a-Alanine, conf. I
229825.9700 2.0819 -5.5909 3 438.7833387 89502 303642935 633034 a-Alanine, conf. I
229829.4774 0.0384 -5.4650 3 94.9752183 89502 303301516 291416 a-Alanine, conf. I
229833.4440 0.6040 -5.3797 3 625.7254417 89502 303695019 694920 a-Alanine, conf. I
229833.4440 0.6040 -5.3797 3 625.7254417 89502 303695020 694921 a-Alanine, conf. I
229846.5352 0.0389 -4.5290 3 94.9752183 89502 303301515 291416 a-Alanine, conf. I
229853.8788 0.3471 -4.8849 3 175.7414249 89502 303411823 401822 a-Alanine, conf. I
229925.3067 2.4680 -6.1059 3 656.1839459 89502 303764135 754234 a-Alanine, conf. I
229925.3067 2.4680 -6.1059 3 656.1839459 89502 303764136 754233 a-Alanine, conf. I
229938.7548 0.1554 -5.1244 3 217.7815255 89502 303422814 412813 a-Alanine, conf. I
229938.7548 0.1554 -5.1244 3 217.7815255 89502 303422815 412814 a-Alanine, conf. I
229955.9026 0.1199 -4.5340 3 172.4196255 89502 303421330 411229 a-Alanine, conf. I
229992.8505 0.0974 -5.6727 3 85.4163189 89502 30331 625 30 525 a-Alanine, conf. I
229993.3188 0.0973 -5.6727 3 85.4163189 89502 30331 725 30 625 a-Alanine, conf. I
230011.8169 0.5755 -5.3734 3 613.1900411 89502 303685018 684919 a-Alanine, conf. I
230011.8169 0.5755 -5.3734 3 613.1900411 89502 303685019 684920 a-Alanine, conf. I
230060.9989 2.1538 -5.5749 3 737.7451549 89502 303911378 911279 a-Alanine, conf. I
230060.9989 2.1538 -5.5749 3 737.7451549 89502 303911478 911379 a-Alanine, conf. I
230096.0250 2.8291 -5.7183 3 862.9039585 89502 303971780 971681 a-Alanine, conf. I
230096.0250 2.8291 -5.7183 3 862.9039585 89502 303971880 971781 a-Alanine, conf. I
230104.3484 0.0696 -4.6161 3 98.6790189 89502 303311417 301318 a-Alanine, conf. I
230107.9305 6.1234 -6.1556 3 1155.5660663 89502 303B02585 B02486 a-Alanine, conf. I
230107.9305 6.1234 -6.1556 3 1155.5660663 89502 303B02685 B02586 a-Alanine, conf. I
230118.8020 0.3501 -6.1944 3 82.6302177 89502 303291118 28 919 a-Alanine, conf. I
230122.7392 1.6719 -5.6828 3 890.4580525 89502 303875136 875037 a-Alanine, conf. I
230122.7392 1.6719 -5.6828 3 890.4580525 89502 303875137 875038 a-Alanine, conf. I
230137.9804 9.3370 -6.1408 3 468.2668405 89502 303672740 672443 a-Alanine, conf. I
230182.0255 0.5520 -5.3687 3 600.8386405 89502 303675017 674918 a-Alanine, conf. I
230182.0255 0.5520 -5.3687 3 600.8386405 89502 303675018 674919 a-Alanine, conf. I
230198.0725 2.4044 -5.6404 3 799.3383567 89502 303941579 941480 a-Alanine, conf. I
230198.0725 2.4044 -5.6404 3 799.3383567 89502 303941679 941580 a-Alanine, conf. I
230203.9754 0.1658 -5.0909 3 213.5470255 89502 303422715 412714 a-Alanine, conf. I
230203.9754 0.1658 -5.0909 3 213.5470255 89502 303422716 412715 a-Alanine, conf. I
230205.6142 2.5141 -6.1524 3 676.5026465 89502 303774235 764334 a-Alanine, conf. I
230205.6142 2.5141 -6.1524 3 676.5026465 89502 303774236 764333 a-Alanine, conf. I
230263.0704 4.6030 -5.9708 3 1039.3407633 89502 303A52283 A52184 a-Alanine, conf. I
230263.0704 4.6030 -5.9708 3 1039.3407633 89502 303A52383 A52284 a-Alanine, conf. I
230277.2670 2.9027 -6.0172 3 1102.7303597 89502 303995247 995148 a-Alanine, conf. I
230277.2670 2.9027 -6.0172 3 1102.7303597 89502 303995248 995149 a-Alanine, conf. I
230344.3307 0.5336 -5.3657 3 588.6712399 89502 303665016 664917 a-Alanine, conf. I
230344.3307 0.5336 -5.3657 3 588.6712399 89502 303665017 664918 a-Alanine, conf. I
230352.1572 2.2450 -5.4952 3 599.2123507 89502 30384 876 84 777 a-Alanine, conf. I
230352.1572 2.2450 -5.4952 3 599.2123507 89502 30384 976 84 877 a-Alanine, conf. I
230378.4634 2.0774 -5.5514 3 422.8875381 89502 303632836 622933 a-Alanine, conf. I
230387.6894 2.0822 -5.5513 3 422.8875381 89502 303632835 622934 a-Alanine, conf. I
230416.1220 4.4343 -6.2289 3 296.2729321 89502 303532330 532033 a-Alanine, conf. I
230421.8720 2.9599 -5.7869 3 452.2321459 89502 30376 274 76 175 a-Alanine, conf. I
230421.8720 2.9599 -5.7869 3 452.2321459 89502 30376 374 76 275 a-Alanine, conf. I
230431.3824 0.2120 -5.5070 3 99.3914195 89502 303321122 311022 a-Alanine, conf. I
230449.9321 0.2115 -4.7488 3 192.2486303 89502 30350 149 49 148 a-Alanine, conf. I
230449.9321 0.2115 -4.1259 3 192.2486303 89502 30350 149 49 248 a-Alanine, conf. I
230449.9321 0.2115 -4.1259 3 192.2486303 89502 30350 249 49 148 a-Alanine, conf. I
230449.9321 0.2115 -4.7488 3 192.2486303 89502 30350 249 49 248 a-Alanine, conf. I
230475.1167 1.5856 -5.6595 3 874.6037519 89502 303865135 865036 a-Alanine, conf. I
230475.1167 1.5856 -5.6595 3 874.6037519 89502 303865136 865037 a-Alanine, conf. I
230498.9868 0.5205 -5.3645 3 576.6876393 89502 303655015 654916 a-Alanine, conf. I
230498.9868 0.5205 -5.3645 3 576.6876393 89502 303655016 654917 a-Alanine, conf. I
230500.3860 0.1295 -4.8327 3 166.9482249 89502 303411328 401327 a-Alanine, conf. I
230504.4200 0.1784 -5.0596 3 209.4803255 89502 303422616 412615 a-Alanine, conf. I
230504.4200 0.1784 -5.0596 3 209.4803255 89502 303422617 412616 a-Alanine, conf. I
230506.5730 2.5614 -6.1996 3 697.1582471 89502 303784335 774434 a-Alanine, conf. I
230506.5730 2.5614 -6.1996 3 697.1582471 89502 303784336 774433 a-Alanine, conf. I
230529.4117 0.1212 -4.4579 3 177.4819261 89502 303431132 421231 a-Alanine, conf. I
230538.1127 0.1212 -4.8289 3 177.4819261 89502 303431232 421231 a-Alanine, conf. I
230542.1660 2.0803 -5.0096 3 205.3470273 89502 303451629 441728 a-Alanine, conf. I
230546.1177 2.4890 -5.3771 3 337.9869345 89502 303572334 562433 a-Alanine, conf. I
230548.1815 10.9820 -6.1397 3 468.2668411 89502 303682346 672443 a-Alanine, conf. I
230548.7566 0.1212 -4.8289 3 177.4813261 89502 303431132 421131 a-Alanine, conf. I
230557.4575 0.1212 -4.4578 3 177.4813261 89502 303431232 421131 a-Alanine, conf. I
230580.8198 2.5790 -5.5400 3 523.8943483 89502 30380 575 80 476 a-Alanine, conf. I
230580.8198 2.5790 -5.5400 3 523.8943483 89502 30380 675 80 576 a-Alanine, conf. I
230621.7194 0.0347 -5.3875 3 83.7738141 89502 3032323 0 2222 0 a-Alanine, conf. I
230621.7194 0.0347 -4.2235 3 83.7738141 89502 3032323 0 2222 1 a-Alanine, conf. I
230621.7194 0.0347 -4.2235 3 83.7738141 89502 3032323 1 2222 0 a-Alanine, conf. I
230621.7194 0.0347 -5.3875 3 83.7738141 89502 3032323 1 2222 1 a-Alanine, conf. I
230646.2423 0.5128 -5.3654 3 564.8877387 89502 303645014 644915 a-Alanine, conf. I
230646.2423 0.5128 -5.3654 3 564.8877387 89502 303645015 644916 a-Alanine, conf. I
230784.7576 2.7732 -5.9864 3 1084.6565591 89502 303985246 985147 a-Alanine, conf. I
230784.7576 2.7732 -5.9864 3 1084.6565591 89502 303985247 985148 a-Alanine, conf. I
230786.3399 0.5102 -5.3685 3 553.2715381 89502 303635013 634914 a-Alanine, conf. I
230786.3399 0.5102 -5.3685 3 553.2715381 89502 303635014 634915 a-Alanine, conf. I
230799.6522 0.1272 -4.7766 3 190.8186291 89502 30348 444 47 443 a-Alanine, conf. I
230799.6522 0.1272 -4.1971 3 190.8186291 89502 30348 444 47 543 a-Alanine, conf. I
230799.6522 0.1272 -4.1971 3 190.8186291 89502 30348 544 47 443 a-Alanine, conf. I
230799.6522 0.1272 -4.7766 3 190.8186291 89502 30348 544 47 543 a-Alanine, conf. I
230814.2684 1.5023 -5.6370 3 858.9350513 89502 303855134 855035 a-Alanine, conf. I
230814.2684 1.5023 -5.6370 3 858.9350513 89502 303855135 855036 a-Alanine, conf. I
230821.8220 2.3862 -6.1615 3 645.2261477 89502 303793049 792752 a-Alanine, conf. I
230831.0795 0.1151 -5.4662 3 102.7991195 89502 303321320 311220 a-Alanine, conf. I
230845.6504 0.3380 -4.8652 3 173.3488249 89502 303411725 401724 a-Alanine, conf. I
230847.0644 0.1929 -5.0303 3 205.5834255 89502 303422517 412516 a-Alanine, conf. I
230847.0644 0.1929 -5.0303 3 205.5834255 89502 303422518 412517 a-Alanine, conf. I
230856.0446 0.2064 -4.8406 3 169.1397249 89502 303411527 401526 a-Alanine, conf. I
230919.5167 0.5125 -5.3742 3 541.8389375 89502 303625012 624913 a-Alanine, conf. I
230919.5167 0.5125 -5.3742 3 541.8389375 89502 303625013 624914 a-Alanine, conf. I
231007.5866 7.1883 -6.1726 3 377.3798363 89502 303602535 602238 a-Alanine, conf. I
231023.3013 2.1336 -5.5149 3 656.1324525 89502 303871077 87 978 a-Alanine, conf. I
231023.3013 2.1336 -5.5149 3 656.1324525 89502 303871177 871078 a-Alanine, conf. I
231030.1766 0.4344 -5.4787 3 106.9768201 89502 303331122 321022 a-Alanine, conf. I
231037.3829 3.7957 -5.8673 3 970.5947615 89502 303A22082 A21983 a-Alanine, conf. I
231037.3829 3.7957 -5.8673 3 970.5947615 89502 303A22182 A22083 a-Alanine, conf. I
231046.0044 0.5193 -5.3827 3 530.5897369 89502 303615011 614912 a-Alanine, conf. I
231046.0044 0.5193 -5.3827 3 530.5897369 89502 303615012 614913 a-Alanine, conf. I
231116.0872 2.0825 -5.5124 3 407.3385375 89502 303622736 612833 a-Alanine, conf. I
231132.6984 0.1213 -4.8012 3 187.5264279 89502 30346 739 45 738 a-Alanine, conf. I
231132.6984 0.1213 -4.2829 3 187.5264279 89502 30346 739 45 838 a-Alanine, conf. I
231132.6984 0.1213 -4.2829 3 187.5264279 89502 30346 839 45 738 a-Alanine, conf. I
231132.6984 0.1213 -4.8012 3 187.5264279 89502 30346 839 45 838 a-Alanine, conf. I
231140.5914 1.4221 -5.6152 3 843.4519507 89502 303845133 845034 a-Alanine, conf. I
231140.5914 1.4221 -5.6152 3 843.4519507 89502 303845134 845035 a-Alanine, conf. I
231151.8705 2.0992 -5.5122 3 407.3385375 89502 303622735 612834 a-Alanine, conf. I
231166.0295 0.5301 -5.3947 3 519.5239363 89502 303605010 604911 a-Alanine, conf. I
231166.0295 0.5301 -5.3947 3 519.5239363 89502 303605011 604912 a-Alanine, conf. I
231227.4097 0.0856 -5.7346 3 82.9488189 89502 30331 526 30 426 a-Alanine, conf. I
231227.4337 0.0856 -5.7346 3 82.9488189 89502 30331 626 30 526 a-Alanine, conf. I
231240.9845 0.2092 -5.0027 3 201.8588255 89502 303422419 412418 a-Alanine, conf. I
231240.9846 0.2092 -5.0027 3 201.8588255 89502 303422418 412417 a-Alanine, conf. I
231257.0323 0.6008 -4.7182 3 151.9216237 89502 303391426 381325 a-Alanine, conf. I
231274.6173 2.6484 -5.9562 3 1066.7693585 89502 303975245 975146 a-Alanine, conf. I
231274.6173 2.6484 -5.9562 3 1066.7693585 89502 303975246 975147 a-Alanine, conf. I
231279.8137 0.5445 -5.4105 3 508.6415357 89502 3035950 9 594910 a-Alanine, conf. I
231279.8137 0.5445 -5.4105 3 508.6415357 89502 303595010 594911 a-Alanine, conf. I
231346.1922 5.0962 -6.0390 3 1083.6403645 89502 303A72384 A72285 a-Alanine, conf. I
231346.1922 5.0962 -6.0390 3 1083.6403645 89502 303A72484 A72385 a-Alanine, conf. I
231359.8674 0.0251 -5.3982 3 84.5876147 89502 3032422 2 2321 2 a-Alanine, conf. I
231359.8674 0.0251 -4.2493 3 84.5876147 89502 3032422 2 2321 3 a-Alanine, conf. I
231359.8674 0.0251 -4.2493 3 84.5876147 89502 3032422 3 2321 2 a-Alanine, conf. I
231359.8674 0.0251 -5.3982 3 84.5876147 89502 3032422 3 2321 3 a-Alanine, conf. I
231361.1230 3.1288 -6.0433 3 432.9504453 89502 30375 174 75 075 a-Alanine, conf. I
231361.1230 3.1288 -6.0433 3 432.9504453 89502 30375 274 75 175 a-Alanine, conf. I
231372.5271 8.2079 -5.9506 3 415.4094387 89502 303642243 632340 a-Alanine, conf. I
231386.8187 0.1743 -5.5643 3 57.1017153 89502 30325 718 24 619 a-Alanine, conf. I
231387.5736 0.5618 -5.4310 3 497.9422351 89502 3035850 8 5849 9 a-Alanine, conf. I
231387.5736 0.5618 -5.4310 3 497.9422351 89502 3035850 9 584910 a-Alanine, conf. I
231454.4700 1.3448 -5.5942 3 828.1541501 89502 303835132 835033 a-Alanine, conf. I
231454.4700 1.3448 -5.5942 3 828.1541501 89502 303835133 835034 a-Alanine, conf. I
231474.6286 9.1144 -6.1470 3 568.8026447 89502 303742945 742648 a-Alanine, conf. I
231489.3518 2.1352 -5.5571 3 715.0645543 89502 303901278 901179 a-Alanine, conf. I
231489.3518 2.1352 -5.5571 3 715.0645543 89502 303901378 901279 a-Alanine, conf. I
231489.5213 0.5817 -5.4572 3 487.4260345 89502 3035750 7 5749 8 a-Alanine, conf. I
231489.5213 0.5817 -5.4572 3 487.4260345 89502 3035750 8 5749 9 a-Alanine, conf. I
231527.9690 13.3077 -6.1466 3 548.9377441 89502 303732746 732449 a-Alanine, conf. I
231528.4990 3.1338 -5.7729 3 903.7758597 89502 303991881 991782 a-Alanine, conf. I
231528.4990 3.1338 -5.7729 3 903.7758597 89502 303991981 991882 a-Alanine, conf. I
231534.7956 2.3811 -5.5043 3 578.0981501 89502 30383 776 83 677 a-Alanine, conf. I
231534.7956 2.3811 -5.5043 3 578.0981501 89502 30383 876 83 777 a-Alanine, conf. I
231544.9168 0.4755 -4.6788 3 159.3770243 89502 303401427 391326 a-Alanine, conf. I
231547.2556 0.2985 -4.8486 3 171.1743249 89502 303411626 401625 a-Alanine, conf. I
231585.8643 0.6035 -5.4905 3 477.0929339 89502 3035650 6 5649 7 a-Alanine, conf. I
231585.8643 0.6035 -5.4905 3 477.0929339 89502 3035650 7 5649 8 a-Alanine, conf. I
231635.8730 2.7436 -5.5902 3 503.6895477 89502 30379 475 79 376 a-Alanine, conf. I
231635.8730 2.7436 -5.5902 3 503.6895477 89502 30379 575 79 476 a-Alanine, conf. I
231656.3757 3.2011 -5.3107 3 300.9524327 89502 303542133 532232 a-Alanine, conf. I
231676.8055 0.6270 -5.5331 3 466.9427333 89502 3035550 5 5549 6 a-Alanine, conf. I
231676.8055 0.6270 -5.5331 3 466.9427333 89502 3035550 6 5549 7 a-Alanine, conf. I
231677.5544 0.1244 -4.3983 3 182.2640267 89502 303441034 431133 a-Alanine, conf. I
231677.8537 0.1244 -4.8206 3 182.2640267 89502 303441134 431133 a-Alanine, conf. I
231678.2635 0.1244 -4.8206 3 182.2640267 89502 303441034 431033 a-Alanine, conf. I
231678.5627 0.1244 -4.3983 3 182.2640267 89502 303441134 431033 a-Alanine, conf. I
231680.1123 0.2436 -4.6170 3 174.7219255 89502 303421329 411428 a-Alanine, conf. I
231683.4357 4.8963 -6.1615 3 630.1534471 89502 303783048 782751 a-Alanine, conf. I
231698.3021 0.2275 -4.9768 3 198.3095255 89502 303422320 412319 a-Alanine, conf. I
231698.3045 0.2275 -4.9768 3 198.3095255 89502 303422319 412318 a-Alanine, conf. I
231738.2020 2.2934 -5.6161 3 775.9933561 89502 303931479 931380 a-Alanine, conf. I
231738.2020 2.2934 -5.6161 3 775.9933561 89502 303931579 931480 a-Alanine, conf. I
231747.4004 2.5282 -5.9267 3 1049.0687579 89502 303965244 965145 a-Alanine, conf. I
231747.4004 2.5282 -5.9267 3 1049.0687579 89502 303965245 965146 a-Alanine, conf. I
231756.2757 1.2705 -5.5740 3 813.0417495 89502 303825131 825032 a-Alanine, conf. I
231756.2757 1.2705 -5.5740 3 813.0417495 89502 303825132 825033 a-Alanine, conf. I
231756.3295 2.6282 -5.6887 3 838.9027579 89502 303961680 961581 a-Alanine, conf. I
231756.3295 2.6282 -5.6887 3 838.9027579 89502 303961780 961681 a-Alanine, conf. I
231762.5437 0.6518 -5.5881 3 456.9753327 89502 3035450 4 5449 5 a-Alanine, conf. I
231762.5437 0.6518 -5.5881 3 456.9753327 89502 3035450 5 5449 6 a-Alanine, conf. I
231810.5169 0.2687 -4.7358 3 194.8632309 89502 30351 051 50 050 a-Alanine, conf. I
231810.5169 0.2687 -4.1010 3 194.8632309 89502 30351 051 50 150 a-Alanine, conf. I
231810.5169 0.2687 -4.1010 3 194.8632309 89502 30351 151 50 050 a-Alanine, conf. I
231810.5169 0.2687 -4.7358 3 194.8632309 89502 30351 151 50 150 a-Alanine, conf. I
231843.2735 0.6776 -5.6613 3 447.1908321 89502 3035350 3 5349 4 a-Alanine, conf. I
231843.2735 0.6776 -5.6613 3 447.1908321 89502 3035350 4 5349 5 a-Alanine, conf. I
231919.1853 0.7041 -5.7627 3 437.5889315 89502 3035250 2 5249 3 a-Alanine, conf. I
231919.1853 0.7041 -5.7627 3 437.5889315 89502 3035250 3 5249 4 a-Alanine, conf. I
231935.7027 0.4592 -4.8609 3 173.3847249 89502 303411724 401723 a-Alanine, conf. I
231936.8587 0.1471 -5.4254 3 115.8585207 89502 303341321 331221 a-Alanine, conf. I
231937.1498 0.1076 -4.6412 3 104.5874195 89502 303321419 311318 a-Alanine, conf. I
231990.4654 0.7310 -5.9155 3 428.1697309 89502 3035150 1 5149 2 a-Alanine, conf. I
231990.4654 0.7310 -5.9155 3 428.1697309 89502 3035150 2 5149 3 a-Alanine, conf. I
232046.3686 1.1991 -5.5546 3 798.1144489 89502 303815130 815031 a-Alanine, conf. I
232046.3686 1.1991 -5.5546 3 798.1144489 89502 303815131 815032 a-Alanine, conf. I
232053.9822 0.1445 -6.0601 3 52.2895141 89502 303231113 22 814 a-Alanine, conf. I
232057.2965 0.7583 -6.1935 3 418.9330303 89502 3035050 0 5049 1 a-Alanine, conf. I
232057.2965 0.7583 -6.1935 3 418.9330303 89502 3035050 1 5049 2 a-Alanine, conf. I
232070.4568 2.0923 -5.4740 3 392.1386369 89502 303612636 602733 a-Alanine, conf. I
232076.8848 0.6736 -4.7494 3 144.5917231 89502 303381425 371324 a-Alanine, conf. I
232089.4872 0.0207 -5.4080 3 85.7527153 89502 3032521 4 2420 4 a-Alanine, conf. I
232089.4872 0.0207 -4.2766 3 85.7527153 89502 3032521 4 2420 5 a-Alanine, conf. I
232089.4872 0.0207 -4.2766 3 85.7527153 89502 3032521 5 2420 4 a-Alanine, conf. I
232089.4872 0.0207 -5.4080 3 85.7527153 89502 3032521 5 2420 5 a-Alanine, conf. I
232184.3250 0.4033 -5.3653 3 69.5614165 89502 30327 918 26 819 a-Alanine, conf. I
232190.2128 0.1468 -4.7643 3 194.0478297 89502 30349 346 48 345 a-Alanine, conf. I
232190.2128 0.1468 -4.1684 3 194.0478297 89502 30349 346 48 445 a-Alanine, conf. I
232190.2128 0.1468 -4.1684 3 194.0478297 89502 30349 446 48 345 a-Alanine, conf. I
232190.2128 0.1468 -4.7643 3 194.0478297 89502 30349 446 48 445 a-Alanine, conf. I
232191.0872 0.2108 -5.5342 3 97.4623195 89502 30332 923 31 823 a-Alanine, conf. I
232202.2519 2.1481 -5.4735 3 392.1383369 89502 303612635 602734 a-Alanine, conf. I
232203.6379 2.4122 -5.8978 3 1031.5544573 89502 303955243 955144 a-Alanine, conf. I
232203.6379 2.4122 -5.8978 3 1031.5544573 89502 303955244 955145 a-Alanine, conf. I
232218.1129 1.3847 -6.1400 3 290.4466321 89502 303532133 531836 a-Alanine, conf. I
232235.7486 0.2480 -4.9522 3 194.9397255 89502 303422221 412220 a-Alanine, conf. I
232235.7860 0.2480 -4.9522 3 194.9397255 89502 303422220 412219 a-Alanine, conf. I
232267.1955 4.2145 -5.9305 3 1013.6110627 89502 303A42183 A42084 a-Alanine, conf. I
232267.1955 4.2145 -5.9305 3 1013.6110627 89502 303A42283 A42184 a-Alanine, conf. I
232290.0746 0.0886 -5.8147 3 80.3415189 89502 30331 427 30 327 a-Alanine, conf. I
232290.0755 0.0886 -5.8147 3 80.3415189 89502 30331 527 30 427 a-Alanine, conf. I
232300.2170 2.2279 -5.5103 3 634.3354519 89502 30386 977 86 878 a-Alanine, conf. I
232300.2170 2.2279 -5.5103 3 634.3354519 89502 303861077 86 978 a-Alanine, conf. I
232325.0974 1.1307 -5.5360 3 783.3722483 89502 303805129 805030 a-Alanine, conf. I
232325.0974 1.1307 -5.5360 3 783.3722483 89502 303805130 805031 a-Alanine, conf. I
232345.4532 0.1499 -5.5622 3 57.1011153 89502 30325 818 24 519 a-Alanine, conf. I
232353.6773 5.6298 -6.1100 3 1128.7780657 89502 303A92485 A92386 a-Alanine, conf. I
232353.6773 5.6298 -6.1100 3 1128.7780657 89502 303A92585 A92486 a-Alanine, conf. I
232425.7515 0.1422 -5.4122 3 64.8199159 89502 303261017 25 718 a-Alanine, conf. I
232441.1575 0.1361 -5.8722 3 56.7476147 89502 303241114 23 815 a-Alanine, conf. I
232516.4486 0.1219 -4.7899 3 191.3871285 89502 30347 641 46 640 a-Alanine, conf. I
232516.4486 0.1219 -4.2476 3 191.3871285 89502 30347 641 46 740 a-Alanine, conf. I
232516.4486 0.1219 -4.2476 3 191.3871285 89502 30347 741 46 640 a-Alanine, conf. I
232516.4486 0.1219 -4.7899 3 191.3871285 89502 30347 741 46 740 a-Alanine, conf. I
232524.6655 0.1925 -5.5330 3 97.4656195 89502 303321023 31 923 a-Alanine, conf. I
232584.2675 3.6720 -6.2168 3 1222.6663633 89502 303A55352 A55253 a-Alanine, conf. I
232584.2675 3.6720 -6.2168 3 1222.6663633 89502 303A55353 A55254 a-Alanine, conf. I
232591.7233 0.1776 -4.8153 3 160.7897243 89502 303401426 391425 a-Alanine, conf. I
232592.8005 1.0652 -5.5183 3 768.8149477 89502 303795128 795029 a-Alanine, conf. I
232592.8005 1.0652 -5.5183 3 768.8149477 89502 303795129 795030 a-Alanine, conf. I
232643.8394 2.3003 -5.8695 3 1014.2263567 89502 303945242 945143 a-Alanine, conf. I
232643.8394 2.3003 -5.8695 3 1014.2263567 89502 303945243 945144 a-Alanine, conf. I
232653.5297 2.9129 -5.6690 3 483.7058471 89502 30378 375 78 276 a-Alanine, conf. I
232653.5297 2.9129 -5.6690 3 483.7058471 89502 30378 475 78 376 a-Alanine, conf. I
232675.6025 2.5323 -5.5230 3 557.2005495 89502 30382 676 82 577 a-Alanine, conf. I
232675.6025 2.5323 -5.5230 3 557.2005495 89502 30382 776 82 677 a-Alanine, conf. I
232746.1358 0.5142 -4.8228 3 162.0818243 89502 303401525 391524 a-Alanine, conf. I
232801.5041 0.0212 -5.4170 3 87.2736159 89502 3032620 6 2519 6 a-Alanine, conf. I
232801.5041 0.0212 -4.3060 3 87.2736159 89502 3032620 6 2519 7 a-Alanine, conf. I
232801.5041 0.0212 -4.3060 3 87.2736159 89502 3032620 7 2519 6 a-Alanine, conf. I
232801.5041 0.0212 -5.4170 3 87.2736159 89502 3032620 7 2519 7 a-Alanine, conf. I
232849.8062 1.0028 -5.5014 3 754.4425471 89502 303785127 785028 a-Alanine, conf. I
232849.8062 1.0028 -5.5014 3 754.4425471 89502 303785128 785029 a-Alanine, conf. I
232863.2925 0.0579 -5.4535 3 104.5874195 89502 303321418 311318 a-Alanine, conf. I
232866.7540 2.1621 -5.5428 3 692.5919537 89502 303891178 891079 a-Alanine, conf. I
232866.7540 2.1621 -5.5428 3 692.5919537 89502 303891278 891179 a-Alanine, conf. I
232877.3228 0.2715 -4.9288 3 191.7547255 89502 303422122 412121 a-Alanine, conf. I
232877.8109 0.2716 -4.9288 3 191.7547255 89502 303422121 412120 a-Alanine, conf. I
232895.6082 3.4775 -5.8309 3 945.4987609 89502 303A11982 A11883 a-Alanine, conf. I
232895.6082 3.4775 -5.8309 3 945.4987609 89502 303A12082 A11983 a-Alanine, conf. I
232901.7489 2.1050 -6.1694 3 277.8442315 89502 303522033 521736 a-Alanine, conf. I
232940.4025 0.1268 -4.3490 3 186.8061273 89502 30345 936 441035 a-Alanine, conf. I
232940.4103 0.1268 -4.8113 3 186.8061273 89502 303451036 441035 a-Alanine, conf. I
232940.4218 0.1268 -4.8113 3 186.8061273 89502 30345 936 44 935 a-Alanine, conf. I
232940.4296 0.1268 -4.3490 3 186.8061273 89502 303451036 44 935 a-Alanine, conf. I
232948.1501 0.5412 -5.3834 3 321.5736339 89502 303562136 552233 a-Alanine, conf. I
233043.3872 0.1315 -4.8296 3 174.7219255 89502 303421429 411428 a-Alanine, conf. I
233048.2955 0.3409 -4.6381 3 166.9482249 89502 303411428 401327 a-Alanine, conf. I
233068.4941 2.1923 -5.8419 3 997.0843561 89502 303935241 935142 a-Alanine, conf. I
233068.4941 2.1923 -5.8419 3 997.0843561 89502 303935242 935143 a-Alanine, conf. I
233096.4336 0.9434 -5.4855 3 740.2548465 89502 303775126 775027 a-Alanine, conf. I
233096.4336 0.9434 -5.4855 3 740.2548465 89502 303775127 775028 a-Alanine, conf. I
233163.2814 3.5154 -6.1827 3 1203.4906627 89502 303A45351 A45252 a-Alanine, conf. I
233163.2814 3.5154 -6.1827 3 1203.4906627 89502 303A45352 A45253 a-Alanine, conf. I
233219.9218 0.1044 -5.9232 3 77.5998189 89502 30331 328 30 228 a-Alanine, conf. I
233219.9218 0.1044 -5.9232 3 77.5998189 89502 30331 428 30 328 a-Alanine, conf. I
233223.0164 2.2325 -5.5946 3 752.8525555 89502 303921379 921280 a-Alanine, conf. I
233223.0164 2.2325 -5.5946 3 752.8525555 89502 303921479 921380 a-Alanine, conf. I
233252.0375 2.0913 -5.4367 3 377.2905363 89502 303602536 592633 a-Alanine, conf. I
233252.5552 2.8925 -5.7408 3 879.3228591 89502 303981781 981682 a-Alanine, conf. I
233252.5552 2.8925 -5.7408 3 879.3228591 89502 303981881 981782 a-Alanine, conf. I
233259.5158 0.2700 -5.4579 3 63.2319159 89502 30326 818 25 719 a-Alanine, conf. I
233273.7862 0.4595 -5.4414 3 114.6831207 89502 303341222 331122 a-Alanine, conf. I
233283.1996 6.2053 -6.1838 3 1174.7510669 89502 303B12586 B12487 a-Alanine, conf. I
233283.1996 6.2053 -6.1838 3 1174.7510669 89502 303B12686 B12587 a-Alanine, conf. I
233332.9927 0.8873 -5.4706 3 726.2517459 89502 303765125 765026 a-Alanine, conf. I
233332.9927 0.8873 -5.4706 3 726.2517459 89502 303765126 765027 a-Alanine, conf. I
233356.3452 2.4736 -5.6615 3 815.1017573 89502 303951580 951481 a-Alanine, conf. I
233356.3452 2.4736 -5.6615 3 815.1017573 89502 303951680 951581 a-Alanine, conf. I
233425.9594 4.6720 -5.9968 3 1057.4708639 89502 303A62284 A62185 a-Alanine, conf. I
233425.9594 4.6720 -5.9968 3 1057.4708639 89502 303A62384 A62285 a-Alanine, conf. I
233428.0497 12.0900 -6.1614 3 447.4606399 89502 303662442 662145 a-Alanine, conf. I
233478.0727 2.0880 -5.8149 3 980.1283555 89502 303925240 925141 a-Alanine, conf. I
233478.0727 2.0880 -5.8149 3 980.1283555 89502 303925241 925142 a-Alanine, conf. I
233480.7562 0.0243 -5.4250 3 89.1564165 89502 3032719 8 2618 8 a-Alanine, conf. I
233480.7562 0.0243 -4.3382 3 89.1564165 89502 3032719 8 2618 9 a-Alanine, conf. I
233480.7562 0.0243 -4.3382 3 89.1564165 89502 3032719 9 2618 8 a-Alanine, conf. I
233480.7562 0.0243 -5.4250 3 89.1564165 89502 3032719 9 2618 9 a-Alanine, conf. I
233495.1812 0.0953 -6.2106 3 83.7059177 89502 303291217 281018 a-Alanine, conf. I
233532.0752 2.3488 -5.5116 3 612.7517513 89502 30385 877 85 778 a-Alanine, conf. I
233532.0752 2.3488 -5.5116 3 612.7517513 89502 30385 977 85 878 a-Alanine, conf. I
233558.7171 0.8743 -6.2117 3 234.1071291 89502 303481731 471829 a-Alanine, conf. I
233559.7849 0.8346 -5.4566 3 712.4332453 89502 303755124 755025 a-Alanine, conf. I
233559.7849 0.8346 -5.4566 3 712.4332453 89502 303755125 755026 a-Alanine, conf. I
233572.2093 0.1794 -4.7519 3 197.0865303 89502 30350 248 49 247 a-Alanine, conf. I
233572.2093 0.1794 -4.1416 3 197.0865303 89502 30350 248 49 347 a-Alanine, conf. I
233572.2093 0.1794 -4.1416 3 197.0865303 89502 30350 348 49 247 a-Alanine, conf. I
233572.2093 0.1794 -4.7519 3 197.0865303 89502 30350 348 49 347 a-Alanine, conf. I
233579.1460 0.6710 -4.7647 3 137.4084225 89502 303371424 361323 a-Alanine, conf. I
233635.2210 3.0849 -5.7994 3 463.9446465 89502 30377 275 77 176 a-Alanine, conf. I
233635.2210 3.0849 -5.7994 3 463.9446465 89502 30377 375 77 276 a-Alanine, conf. I
233651.4763 0.2695 -6.0481 3 295.2484261 89502 3034341 2 4241 1 a-Alanine, conf. I
233651.4763 0.2695 -6.0481 3 295.2484261 89502 3034341 3 4241 2 a-Alanine, conf. I
233658.2007 0.2991 -4.9063 3 188.7619255 89502 303422023 412022 a-Alanine, conf. I
233663.5944 0.3000 -4.9063 3 188.7621255 89502 303422022 412021 a-Alanine, conf. I
233709.7063 2.2654 -5.4348 3 377.2896363 89502 303602535 592634 a-Alanine, conf. I
233722.8273 3.3648 -6.1492 3 1184.5017621 89502 303A35350 A35251 a-Alanine, conf. I
233722.8273 3.3648 -6.1492 3 1184.5017621 89502 303A35351 A35252 a-Alanine, conf. I
233730.3067 0.2484 -5.8637 3 288.9164261 89502 3034340 3 4240 2 a-Alanine, conf. I
233730.3067 0.2484 -5.8637 3 288.9164261 89502 3034340 4 4240 3 a-Alanine, conf. I
233776.2685 2.6942 -5.5545 3 536.5210489 89502 30381 576 81 477 a-Alanine, conf. I
233776.2685 2.6942 -5.5545 3 536.5210489 89502 30381 676 81 577 a-Alanine, conf. I
233777.1037 0.7854 -5.4437 3 698.7991447 89502 303745123 745024 a-Alanine, conf. I
233777.1037 0.7854 -5.4437 3 698.7991447 89502 303745124 745025 a-Alanine, conf. I
233816.2207 0.2286 -5.7309 3 282.7434261 89502 3034339 4 4239 3 a-Alanine, conf. I
233816.2207 0.2286 -5.7309 3 282.7434261 89502 3034339 5 4239 4 a-Alanine, conf. I
233873.0278 1.9874 -5.7886 3 963.3582549 89502 303915239 915140 a-Alanine, conf. I
233873.0278 1.9874 -5.7886 3 963.3582549 89502 303915240 915141 a-Alanine, conf. I
233906.5300 0.1273 -4.5061 3 180.0901261 89502 303431231 421330 a-Alanine, conf. I
233908.7362 0.1255 -4.7783 3 195.0495291 89502 30348 543 47 542 a-Alanine, conf. I
233908.7362 0.1255 -4.2154 3 195.0495291 89502 30348 543 47 642 a-Alanine, conf. I
233908.7362 0.1255 -4.2154 3 195.0495291 89502 30348 643 47 542 a-Alanine, conf. I
233908.7362 0.1255 -4.7783 3 195.0495291 89502 30348 643 47 642 a-Alanine, conf. I
233909.9747 0.2103 -5.6264 3 276.7296261 89502 3034338 5 4238 4 a-Alanine, conf. I
233909.9747 0.2103 -5.6264 3 276.7296261 89502 3034338 6 4238 5 a-Alanine, conf. I
233949.1793 0.1024 -5.6911 3 61.3662153 89502 303251115 24 816 a-Alanine, conf. I
233955.4687 0.0834 -5.8516 3 49.2972147 89502 30324 519 23 420 a-Alanine, conf. I
233972.9797 0.0830 -5.8516 3 49.2972147 89502 30324 619 23 320 a-Alanine, conf. I
233985.2347 0.7399 -5.4320 3 685.3494441 89502 303735122 735023 a-Alanine, conf. I
233985.2347 0.7399 -5.4320 3 685.3494441 89502 303735123 735024 a-Alanine, conf. I
233994.0169 0.1254 -4.8243 3 180.0901261 89502 303431331 421330 a-Alanine, conf. I
234012.4355 0.1939 -5.5401 3 270.8755261 89502 3034337 6 4237 5 a-Alanine, conf. I
234012.4355 0.1939 -5.5401 3 270.8755261 89502 3034337 7 4237 6 a-Alanine, conf. I
234043.7935 0.1286 -6.0831 3 74.7275189 89502 30331 229 30 129 a-Alanine, conf. I
234043.7935 0.1286 -6.0831 3 74.7275189 89502 30331 329 30 229 a-Alanine, conf. I
234089.4983 0.1249 -4.8239 3 180.0840261 89502 303431231 421230 a-Alanine, conf. I
234101.4025 0.0283 -4.3743 3 91.4098171 89502 303281811 271710 a-Alanine, conf. I
234101.4028 0.0283 -5.4320 3 91.4098171 89502 303281810 271710 a-Alanine, conf. I
234101.4041 0.0283 -5.4320 3 91.4098171 89502 303281811 271711 a-Alanine, conf. I
234101.4044 0.0283 -4.3743 3 91.4098171 89502 303281810 271711 a-Alanine, conf. I
234124.6004 0.1796 -5.4663 3 265.1813261 89502 3034336 7 4236 6 a-Alanine, conf. I
234124.6004 0.1796 -5.4663 3 265.1813261 89502 3034336 8 4236 7 a-Alanine, conf. I
234176.9852 0.1253 -4.5050 3 180.0840261 89502 303431331 421230 a-Alanine, conf. I
234184.4562 0.6985 -5.4214 3 672.0839435 89502 303725121 725022 a-Alanine, conf. I
234184.4562 0.6985 -5.4214 3 672.0839435 89502 303725122 725023 a-Alanine, conf. I
234195.4999 2.2292 -5.5328 3 670.3291531 89502 303881078 88 979 a-Alanine, conf. I
234195.4999 2.2292 -5.5328 3 670.3291531 89502 303881178 881079 a-Alanine, conf. I
234195.6650 3.8599 -5.8920 3 988.0702621 89502 303A32083 A31984 a-Alanine, conf. I
234195.6650 3.8599 -5.8920 3 988.0702621 89502 303A32183 A32084 a-Alanine, conf. I
234228.0218 0.1283 -4.8245 3 174.6369255 89502 303421329 411328 a-Alanine, conf. I
234247.6235 0.1678 -5.4019 3 259.6475261 89502 3034335 8 4235 7 a-Alanine, conf. I
234247.6235 0.1678 -5.4019 3 259.6475261 89502 3034335 9 4235 8 a-Alanine, conf. I
234253.7958 1.8902 -5.7629 3 946.7738543 89502 303905238 905139 a-Alanine, conf. I
234253.7958 1.8902 -5.7629 3 946.7738543 89502 303905239 905140 a-Alanine, conf. I
234263.5292 3.2198 -6.1164 3 1165.6995615 89502 303A25349 A25250 a-Alanine, conf. I
234263.5292 3.2198 -6.1164 3 1165.6995615 89502 303A25350 A25251 a-Alanine, conf. I
234270.2784 0.1279 -4.3065 3 191.1263279 89502 30346 838 45 937 a-Alanine, conf. I
234270.2786 0.1279 -4.8012 3 191.1263279 89502 30346 938 45 937 a-Alanine, conf. I
234270.2788 0.1279 -4.8012 3 191.1263279 89502 30346 838 45 837 a-Alanine, conf. I
234270.2790 0.1279 -4.3065 3 191.1263279 89502 30346 938 45 837 a-Alanine, conf. I
234375.0395 0.6613 -5.4120 3 659.0025429 89502 303715120 715021 a-Alanine, conf. I
234375.0395 0.6613 -5.4120 3 659.0025429 89502 303715121 715022 a-Alanine, conf. I
234382.8470 0.1589 -5.3447 3 254.2745261 89502 3034334 9 4234 8 a-Alanine, conf. I
234382.8470 0.1589 -5.3447 3 254.2745261 89502 303433410 4234 9 a-Alanine, conf. I
234399.5336 2.6428 -5.0764 3 224.7524285 89502 303471730 461829 a-Alanine, conf. I
234511.6471 5.1693 -6.0659 3 1102.1713651 89502 303A82385 A82286 a-Alanine, conf. I
234511.6471 5.1693 -6.0659 3 1102.1713651 89502 303A82485 A82386 a-Alanine, conf. I
234512.9863 0.1599 -5.5650 3 95.3599195 89502 30332 824 31 724 a-Alanine, conf. I
234531.8418 0.1531 -5.2932 3 249.0629261 89502 303433310 4233 9 a-Alanine, conf. I
234531.8418 0.1531 -5.2932 3 249.0629261 89502 303433311 423310 a-Alanine, conf. I
234549.2552 0.1578 -5.5649 3 95.3602195 89502 30332 924 31 824 a-Alanine, conf. I
234557.2492 0.6288 -5.4040 3 646.1052423 89502 303705119 705020 a-Alanine, conf. I
234557.2492 0.6288 -5.4040 3 646.1052423 89502 303705120 705021 a-Alanine, conf. I
234557.6226 3.6678 -5.6180 3 354.2967357 89502 303592139 582236 a-Alanine, conf. I
234577.0551 2.0359 -5.4016 3 362.7987357 89502 303592436 582533 a-Alanine, conf. I
234582.2951 3.2580 -6.0554 3 444.4073459 89502 30376 175 76 076 a-Alanine, conf. I
234582.2951 3.2580 -6.0554 3 444.4073459 89502 30376 275 76 176 a-Alanine, conf. I
234617.4465 0.0328 -4.4162 3 94.0465177 89502 303291713 281612 a-Alanine, conf. I
234617.4695 0.0328 -5.4380 3 94.0465177 89502 303291712 281612 a-Alanine, conf. I
234617.5749 0.0328 -5.4380 3 94.0465177 89502 303291713 281613 a-Alanine, conf. I
234617.5979 0.0328 -4.4162 3 94.0465177 89502 303291712 281613 a-Alanine, conf. I
234620.7973 1.7964 -5.7380 3 930.3751537 89502 303895237 895138 a-Alanine, conf. I
234620.7973 1.7964 -5.7380 3 930.3751537 89502 303895238 895139 a-Alanine, conf. I
234623.9144 0.3310 -4.8846 3 185.9719255 89502 303421924 411923 a-Alanine, conf. I
234639.9173 0.2002 -4.6692 3 110.6817201 89502 303331420 321319 a-Alanine, conf. I
234655.1287 2.2208 -5.5763 3 729.9179549 89502 303911279 911180 a-Alanine, conf. I
234655.1287 2.2208 -5.5763 3 729.9179549 89502 303911379 911280 a-Alanine, conf. I
234673.4096 0.3386 -4.8845 3 185.9731255 89502 303421923 411922 a-Alanine, conf. I
234685.2465 3.1971 -5.7963 3 920.5964603 89502 303A01882 A01783 a-Alanine, conf. I
234685.2465 3.1971 -5.7963 3 920.5964603 89502 303A01982 A01883 a-Alanine, conf. I
234696.4590 0.1508 -5.2464 3 244.0133261 89502 303433211 423210 a-Alanine, conf. I
234696.4590 0.1508 -5.2464 3 244.0133261 89502 303433212 423211 a-Alanine, conf. I
234720.7650 2.4900 -5.5203 3 591.3829507 89502 30384 777 84 678 a-Alanine, conf. I
234720.7650 2.4900 -5.5203 3 591.3829507 89502 30384 877 84 778 a-Alanine, conf. I
234731.3435 0.6011 -5.3974 3 633.3919417 89502 303695118 695019 a-Alanine, conf. I
234731.3435 0.6011 -5.3974 3 633.3919417 89502 303695119 695020 a-Alanine, conf. I
234763.5227 0.0398 -4.5340 3 100.5637189 89502 303311517 301416 a-Alanine, conf. I
234785.9826 3.0802 -6.0841 3 1147.0838609 89502 303A15348 A15249 a-Alanine, conf. I
234785.9826 3.0802 -6.0841 3 1147.0838609 89502 303A15349 A15250 a-Alanine, conf. I
234808.1593 0.0405 -5.4469 3 100.5637189 89502 303311516 301416 a-Alanine, conf. I
234838.3767 2.8633 -5.6042 3 516.0610483 89502 30380 476 80 377 a-Alanine, conf. I
234838.3767 2.8633 -5.6042 3 516.0610483 89502 30380 576 80 477 a-Alanine, conf. I
234840.2143 0.0632 -5.4482 3 104.4906195 89502 303321419 311319 a-Alanine, conf. I
234848.6747 8.5624 -6.2014 3 356.0795357 89502 303592138 591841 a-Alanine, conf. I
234878.8963 0.1519 -5.2036 3 239.1264261 89502 303433112 423111 a-Alanine, conf. I
234878.8963 0.1519 -5.2036 3 239.1264261 89502 303433113 423112 a-Alanine, conf. I
234897.5742 0.5786 -5.3924 3 620.8624411 89502 303685117 685018 a-Alanine, conf. I
234897.5742 0.5786 -5.3924 3 620.8624411 89502 303685118 685019 a-Alanine, conf. I
234899.0734 2.3687 -5.6367 3 791.5029567 89502 303941480 941381 a-Alanine, conf. I
234899.0734 2.3687 -5.6367 3 791.5029567 89502 303941580 941481 a-Alanine, conf. I
234914.0800 2.6953 -5.7107 3 855.0680585 89502 303971681 971582 a-Alanine, conf. I
234914.0800 2.6953 -5.7107 3 855.0680585 89502 303971781 971682 a-Alanine, conf. I
234937.2474 0.0374 -4.4670 3 97.0859183 89502 303301615 291514 a-Alanine, conf. I
234938.5346 0.0375 -5.4428 3 97.0859183 89502 303301614 291514 a-Alanine, conf. I
234942.5188 0.2256 -4.7394 3 199.9356309 89502 30351 150 50 149 a-Alanine, conf. I
234942.5188 0.2256 -4.1162 3 199.9356309 89502 30351 150 50 249 a-Alanine, conf. I
234942.5188 0.2256 -4.1162 3 199.9356309 89502 30351 250 50 149 a-Alanine, conf. I
234942.5188 0.2256 -4.7394 3 199.9356309 89502 30351 250 50 249 a-Alanine, conf. I
234942.9108 0.0431 -5.4465 3 100.5578189 89502 303311517 301417 a-Alanine, conf. I
234943.4289 0.0376 -5.4428 3 97.0857183 89502 303301615 291515 a-Alanine, conf. I
234944.7161 0.0376 -4.4670 3 97.0857183 89502 303301614 291515 a-Alanine, conf. I
234974.4383 1.7059 -5.7137 3 914.1619531 89502 303885236 885137 a-Alanine, conf. I
234974.4383 1.7059 -5.7137 3 914.1619531 89502 303885237 885138 a-Alanine, conf. I
234982.0267 0.1288 -4.4348 3 185.1718267 89502 303441133 431232 a-Alanine, conf. I
234985.8832 0.1288 -4.8177 3 185.1718267 89502 303441233 431232 a-Alanine, conf. I
234987.5474 0.0445 -4.5333 3 100.5578189 89502 303311516 301417 a-Alanine, conf. I
234990.7276 0.1288 -4.8177 3 185.1715267 89502 303441133 431132 a-Alanine, conf. I
234994.5841 0.1288 -4.4348 3 185.1715267 89502 303441233 431132 a-Alanine, conf. I
235056.1876 0.5614 -5.3890 3 608.5167405 89502 303675116 675017 a-Alanine, conf. I
235056.1876 0.5614 -5.3890 3 608.5167405 89502 303675117 675018 a-Alanine, conf. I
235081.7854 0.1563 -5.1642 3 234.4031261 89502 303433013 423012 a-Alanine, conf. I
235081.7854 0.1563 -5.1642 3 234.4031261 89502 303433014 423013 a-Alanine, conf. I
235150.6773 0.5975 -4.7598 3 130.3999219 89502 303361423 351322 a-Alanine, conf. I
235207.4238 0.5496 -5.3875 3 596.3546399 89502 303665115 665016 a-Alanine, conf. I
235207.4238 0.5496 -5.3875 3 596.3546399 89502 303665116 665017 a-Alanine, conf. I
235238.3537 8.8982 -6.1912 3 660.3897483 89502 303803050 802753 a-Alanine, conf. I
235257.0153 2.3825 -5.8241 3 554.2335429 89502 303713537 703634 a-Alanine, conf. I
235257.0159 2.3825 -5.8241 3 554.2335429 89502 303713536 703635 a-Alanine, conf. I
235263.4809 0.5626 -4.9533 3 95.3739189 89502 303311219 301120 a-Alanine, conf. I
235284.1231 2.4180 -5.8677 3 572.6954435 89502 303723637 713734 a-Alanine, conf. I
235284.1232 2.4180 -5.8677 3 572.6954435 89502 303723636 713735 a-Alanine, conf. I
235287.9641 2.3500 -5.7812 3 536.1116423 89502 303703437 693534 a-Alanine, conf. I
235287.9671 2.3500 -5.7812 3 536.1116423 89502 303703436 693535 a-Alanine, conf. I
235290.7572 2.9456 -6.0525 3 1128.6545603 89502 303A05347 A05248 a-Alanine, conf. I
235290.7572 2.9456 -6.0525 3 1128.6545603 89502 303A05348 A05249 a-Alanine, conf. I
235301.4396 0.1360 -4.7666 3 198.5173297 89502 30349 445 48 444 a-Alanine, conf. I
235301.4396 0.1360 -4.1857 3 198.5173297 89502 30349 445 48 544 a-Alanine, conf. I
235301.4396 0.1360 -4.1857 3 198.5173297 89502 30349 545 48 444 a-Alanine, conf. I
235301.4396 0.1360 -4.7666 3 198.5173297 89502 30349 545 48 544 a-Alanine, conf. I
235308.3089 0.1638 -5.1276 3 229.8444261 89502 303432914 422913 a-Alanine, conf. I
235308.3089 0.1638 -5.1276 3 229.8444261 89502 303432915 422914 a-Alanine, conf. I
235315.1112 1.6185 -5.6902 3 898.1340525 89502 303875235 875136 a-Alanine, conf. I
235315.1112 1.6185 -5.6902 3 898.1340525 89502 303875236 875137 a-Alanine, conf. I
235351.5180 0.5432 -5.3880 3 584.3762393 89502 303655114 655015 a-Alanine, conf. I
235351.5180 0.5432 -5.3880 3 584.3762393 89502 303655115 655016 a-Alanine, conf. I
235361.2500 2.4562 -5.9117 3 591.4969441 89502 303733736 723835 a-Alanine, conf. I
235361.2500 2.4562 -5.9117 3 591.4969441 89502 303733737 723834 a-Alanine, conf. I
235386.8215 2.3210 -5.7387 3 518.3305417 89502 303693337 683434 a-Alanine, conf. I
235386.8360 2.3210 -5.7387 3 518.3305417 89502 303693336 683435 a-Alanine, conf. I
235426.8844 4.2813 -5.9561 3 1031.4877633 89502 303A52184 A52085 a-Alanine, conf. I
235426.8844 4.2813 -5.9561 3 1031.4877633 89502 303A52284 A52185 a-Alanine, conf. I
235477.7148 2.3294 -5.5276 3 648.2777525 89502 30387 978 87 879 a-Alanine, conf. I
235477.7148 2.3294 -5.5276 3 648.2777525 89502 303871078 87 979 a-Alanine, conf. I
235481.7610 2.4965 -5.9564 3 610.6374447 89502 303743836 733935 a-Alanine, conf. I
235481.7610 2.4965 -5.9564 3 610.6374447 89502 303743837 733934 a-Alanine, conf. I
235488.6997 0.5420 -5.3908 3 572.5812387 89502 303645113 645014 a-Alanine, conf. I
235488.6997 0.5420 -5.3908 3 572.5812387 89502 303645114 645015 a-Alanine, conf. I
235522.1045 5.7074 -6.1378 3 1147.7099663 89502 303B02486 B02387 a-Alanine, conf. I
235522.1045 5.7074 -6.1378 3 1147.7099663 89502 303B02586 B02487 a-Alanine, conf. I
235562.3587 0.1738 -5.0937 3 225.4515261 89502 303432815 422814 a-Alanine, conf. I
235562.3587 0.1738 -5.0937 3 225.4515261 89502 303432816 422815 a-Alanine, conf. I
235565.8263 2.2964 -5.6968 3 500.8910411 89502 303683237 673334 a-Alanine, conf. I
235565.8930 2.2965 -5.6968 3 500.8910411 89502 303683236 673335 a-Alanine, conf. I
235591.2967 0.2344 -4.5998 3 174.6369255 89502 303421429 411328 a-Alanine, conf. I
235606.3502 3.1558 -5.3319 3 324.3663339 89502 303562234 552333 a-Alanine, conf. I
235619.1935 0.5457 -5.3962 3 560.9697381 89502 303635112 635013 a-Alanine, conf. I
235619.1935 0.5457 -5.3962 3 560.9697381 89502 303635113 635014 a-Alanine, conf. I
235636.3920 0.1283 -4.7906 3 195.2361285 89502 30347 740 46 739 a-Alanine, conf. I
235636.3920 0.1283 -4.2688 3 195.2361285 89502 30347 740 46 839 a-Alanine, conf. I
235636.3920 0.1283 -4.2688 3 195.2361285 89502 30347 840 46 739 a-Alanine, conf. I
235636.3920 0.1283 -4.7906 3 195.2361285 89502 30347 840 46 839 a-Alanine, conf. I
235640.1206 2.5388 -6.0016 3 630.1164453 89502 303753936 744035 a-Alanine, conf. I
235640.1206 2.5388 -6.0016 3 630.1164453 89502 303753937 744034 a-Alanine, conf. I
235643.1953 1.5342 -5.6673 3 882.2915519 89502 303865234 865135 a-Alanine, conf. I
235643.1953 1.5342 -5.6673 3 882.2915519 89502 303865235 865136 a-Alanine, conf. I
235677.1123 0.7054 -6.1497 3 293.0911321 89502 303532232 531935 a-Alanine, conf. I
235704.7379 1.8325 -5.3725 3 348.6705351 89502 303582336 572433 a-Alanine, conf. I
235743.2191 0.5538 -5.4044 3 549.5415375 89502 303625111 625012 a-Alanine, conf. I
235743.2191 0.5538 -5.4044 3 549.5415375 89502 303625112 625013 a-Alanine, conf. I
235752.1757 1.3335 -5.3589 3 334.9195345 89502 303572236 562333 a-Alanine, conf. I
235766.3571 0.1144 -4.6327 3 104.4906195 89502 303321418 311319 a-Alanine, conf. I
235778.3983 2.8158 -6.0214 3 1110.4115597 89502 303995346 995247 a-Alanine, conf. I
235778.3983 2.8158 -6.0214 3 1110.4115597 89502 303995347 995248 a-Alanine, conf. I
235781.8701 10.6170 -6.1623 3 510.4817423 89502 303702842 702545 a-Alanine, conf. I
235783.2983 0.3606 -4.8636 3 183.3979255 89502 303421825 411824 a-Alanine, conf. I
235831.6672 2.5829 -6.0474 3 649.9336459 89502 303764036 754135 a-Alanine, conf. I
235831.6672 2.5829 -6.0474 3 649.9336459 89502 303764037 754134 a-Alanine, conf. I
235840.3992 2.2771 -5.6554 3 483.7939405 89502 303673137 663234 a-Alanine, conf. I
235840.6967 2.2773 -5.6554 3 483.7939405 89502 303673136 663235 a-Alanine, conf. I
235848.7575 0.1862 -5.0619 3 221.2258261 89502 303432716 422715 a-Alanine, conf. I
235848.7575 0.1862 -5.0619 3 221.2258261 89502 303432717 422716 a-Alanine, conf. I
235860.9916 0.5660 -5.4160 3 538.2966369 89502 303615110 615011 a-Alanine, conf. I
235860.9916 0.5660 -5.4160 3 538.2966369 89502 303615111 615012 a-Alanine, conf. I
235863.4135 3.0370 -5.6825 3 495.8219477 89502 30379 376 79 277 a-Alanine, conf. I
235863.4135 3.0370 -5.6825 3 495.8219477 89502 30379 476 79 377 a-Alanine, conf. I
235868.0487 2.6461 -5.5385 3 570.2304501 89502 30383 677 83 578 a-Alanine, conf. I
235868.0487 2.6461 -5.5385 3 570.2304501 89502 30383 777 83 678 a-Alanine, conf. I
235880.1446 0.1879 -4.8261 3 176.8402255 89502 303421528 411527 a-Alanine, conf. I
235900.5173 0.6219 -4.8298 3 171.3759249 89502 303411625 401624 a-Alanine, conf. I
235959.0576 1.4529 -5.6453 3 866.6342513 89502 303855233 855134 a-Alanine, conf. I
235959.0576 1.4529 -5.6453 3 866.6342513 89502 303855234 855135 a-Alanine, conf. I
235972.7212 0.5816 -5.4314 3 527.2348363 89502 3036051 9 605010 a-Alanine, conf. I
235972.7212 0.5816 -5.4314 3 527.2348363 89502 303605110 605011 a-Alanine, conf. I
236036.9476 2.2546 -5.5616 3 707.1911543 89502 303901179 901080 a-Alanine, conf. I
236036.9476 2.2546 -5.5616 3 707.1911543 89502 303901279 901180 a-Alanine, conf. I
236052.4428 2.6286 -6.0938 3 670.0885465 89502 303774136 764235 a-Alanine, conf. I
236052.4428 2.6286 -6.0938 3 670.0885465 89502 303774137 764234 a-Alanine, conf. I
236052.5183 0.0315 -5.3726 3 87.9473147 89502 3032423 1 2322 1 a-Alanine, conf. I
236052.5183 0.0315 -4.2157 3 87.9473147 89502 3032423 1 2322 2 a-Alanine, conf. I
236052.5183 0.0315 -4.2157 3 87.9473147 89502 3032423 2 2322 1 a-Alanine, conf. I
236052.5183 0.0315 -5.3726 3 87.9473147 89502 3032423 2 2322 2 a-Alanine, conf. I
236052.8179 3.5416 -5.8551 3 962.7209615 89502 303A21983 A21884 a-Alanine, conf. I
236052.8179 3.5416 -5.8551 3 962.7209615 89502 303A22083 A21984 a-Alanine, conf. I
236059.3400 2.5349 -5.3954 3 362.7954357 89502 303592435 582534 a-Alanine, conf. I
236069.5724 0.3300 -4.7033 3 117.0179207 89502 303341421 331320 a-Alanine, conf. I
236072.3707 0.9212 -5.4285 3 332.2252345 89502 303572137 562234 a-Alanine, conf. I
236078.6140 0.6002 -5.4516 3 516.3561357 89502 3035951 8 5950 9 a-Alanine, conf. I
236078.6140 0.6002 -5.4516 3 516.3561357 89502 3035951 9 595010 a-Alanine, conf. I
236147.4408 0.4095 -4.8623 3 183.4085255 89502 303421824 411823 a-Alanine, conf. I
236154.0144 0.4738 -4.7368 3 123.5951213 89502 303351422 341321 a-Alanine, conf. I
236155.8475 0.1320 -4.3791 3 189.9919273 89502 303451035 441134 a-Alanine, conf. I
236155.9724 0.1320 -4.8097 3 189.9919273 89502 303451135 441134 a-Alanine, conf. I
236156.1468 0.1320 -4.8097 3 189.9919273 89502 303451035 441034 a-Alanine, conf. I
236156.2717 0.1320 -4.3791 3 189.9919273 89502 303451135 441034 a-Alanine, conf. I
236173.5742 0.2006 -5.0322 3 217.1691261 89502 303432617 422616 a-Alanine, conf. I
236173.5742 0.2006 -5.0322 3 217.1691261 89502 303432618 422617 a-Alanine, conf. I
236178.8715 0.6212 -5.4775 3 505.6604351 89502 3035851 7 5850 8 a-Alanine, conf. I
236178.8715 0.6212 -5.4775 3 505.6604351 89502 3035851 8 5850 9 a-Alanine, conf. I
236230.2213 2.2643 -5.6145 3 467.0403399 89502 303663037 653134 a-Alanine, conf. I
236231.4980 2.2651 -5.6145 3 467.0403399 89502 303663036 653135 a-Alanine, conf. I
236241.4688 0.1265 -5.6046 3 93.0881195 89502 30332 725 31 625 a-Alanine, conf. I
236244.4415 0.1264 -5.6046 3 93.0881195 89502 30332 825 31 725 a-Alanine, conf. I
236249.4286 2.6907 -5.9910 3 1092.3546591 89502 303985345 985246 a-Alanine, conf. I
236249.4286 2.6907 -5.9910 3 1092.3546591 89502 303985346 985247 a-Alanine, conf. I
236263.0538 1.3747 -5.6239 3 851.1619507 89502 303845232 845133 a-Alanine, conf. I
236263.0538 1.3747 -5.6239 3 851.1619507 89502 303845233 845134 a-Alanine, conf. I
236265.2996 0.9668 -6.1702 3 283.1266315 89502 303522231 521934 a-Alanine, conf. I
236273.6912 0.6443 -5.5105 3 495.1477345 89502 3035751 6 5750 7 a-Alanine, conf. I
236273.6912 0.6443 -5.5105 3 495.1477345 89502 3035751 7 5750 8 a-Alanine, conf. I
236298.7426 0.2854 -4.7269 3 202.5955315 89502 30352 052 51 051 a-Alanine, conf. I
236298.7426 0.2854 -4.0921 3 202.5955315 89502 30352 052 51 151 a-Alanine, conf. I
236298.7426 0.2854 -4.0921 3 202.5955315 89502 30352 152 51 051 a-Alanine, conf. I
236298.7426 0.2854 -4.7269 3 202.5955315 89502 30352 152 51 151 a-Alanine, conf. I
236299.0611 2.6757 -6.1408 3 690.5808471 89502 303784236 774335 a-Alanine, conf. I
236299.0611 2.6757 -6.1408 3 690.5808471 89502 303784237 774334 a-Alanine, conf. I
236314.2327 0.3760 -4.7830 3 102.7991195 89502 303321319 311220 a-Alanine, conf. I
236363.2665 0.6689 -5.5527 3 484.8177339 89502 3035651 5 5650 6 a-Alanine, conf. I
236363.2665 0.6689 -5.5527 3 484.8177339 89502 3035651 6 5650 7 a-Alanine, conf. I
236387.2655 2.3145 -5.6148 3 768.1082561 89502 303931380 931281 a-Alanine, conf. I
236387.2655 2.3145 -5.6148 3 768.1082561 89502 303931480 931381 a-Alanine, conf. I
236392.2118 0.5986 -4.6957 3 184.7083261 89502 303431429 421528 a-Alanine, conf. I
236409.9871 2.9583 -5.7637 3 895.8900597 89502 303991782 991683 a-Alanine, conf. I
236409.9871 2.9583 -5.7637 3 895.8900597 89502 303991882 991783 a-Alanine, conf. I
236447.7867 0.6948 -5.6075 3 474.6706333 89502 3035551 4 5550 5 a-Alanine, conf. I
236447.7867 0.6948 -5.6075 3 474.6706333 89502 3035551 5 5550 6 a-Alanine, conf. I
236458.8730 13.2078 -6.1867 3 627.0536471 89502 303782949 782652 a-Alanine, conf. I
236467.8226 0.6910 -6.1367 3 303.2161327 89502 303542233 541936 a-Alanine, conf. I
236509.2735 0.2225 -5.4660 3 107.0778201 89502 303331222 321122 a-Alanine, conf. I
236516.2440 2.5458 -5.6830 3 831.0133579 89502 303961581 961482 a-Alanine, conf. I
236516.2440 2.5458 -5.6830 3 831.0133579 89502 303961681 961582 a-Alanine, conf. I
236527.4375 0.7217 -5.6803 3 464.7061327 89502 3035451 3 5450 4 a-Alanine, conf. I
236527.4375 0.7217 -5.6803 3 464.7061327 89502 3035451 4 5450 5 a-Alanine, conf. I
236537.1085 1.2895 -4.8292 3 194.9042267 89502 303441529 431628 a-Alanine, conf. I
236544.5901 0.2169 -5.0043 3 213.2836261 89502 303432518 422517 a-Alanine, conf. I
236544.5901 0.2169 -5.0043 3 213.2836261 89502 303432519 422518 a-Alanine, conf. I
236555.5283 1.2994 -5.6034 3 835.8746501 89502 303835231 835132 a-Alanine, conf. I
236555.5283 1.2994 -5.6034 3 835.8746501 89502 303835232 835133 a-Alanine, conf. I
236568.6054 2.7242 -6.1883 3 711.4103477 89502 303794336 784435 a-Alanine, conf. I
236568.6054 2.7242 -6.1883 3 711.4103477 89502 303794337 784434 a-Alanine, conf. I
236573.2345 0.0847 -5.4379 3 110.6817201 89502 303331419 321319 a-Alanine, conf. I
236587.3761 4.7422 -6.0233 3 1075.7486645 89502 303A72285 A72186 a-Alanine, conf. I
236587.3761 4.7422 -6.0233 3 1075.7486645 89502 303A72385 A72286 a-Alanine, conf. I
236602.4004 0.7493 -5.7814 3 454.9242321 89502 3035351 2 5350 3 a-Alanine, conf. I
236602.4004 0.7493 -5.7814 3 454.9242321 89502 3035351 3 5350 4 a-Alanine, conf. I
236672.8536 0.7774 -5.9339 3 445.3249315 89502 3035251 1 5250 2 a-Alanine, conf. I
236672.8536 0.7774 -5.9339 3 445.3249315 89502 3035251 2 5250 3 a-Alanine, conf. I
236672.9147 0.1847 -5.4538 3 63.2286159 89502 30326 918 25 619 a-Alanine, conf. I
236688.9838 0.1573 -4.7548 3 201.7928303 89502 30350 347 49 346 a-Alanine, conf. I
236688.9838 0.1573 -4.1579 3 201.7928303 89502 30350 347 49 446 a-Alanine, conf. I
236688.9838 0.1573 -4.1579 3 201.7928303 89502 30350 447 49 346 a-Alanine, conf. I
236688.9838 0.1573 -4.7548 3 201.7928303 89502 30350 447 49 446 a-Alanine, conf. I
236704.3499 2.5699 -5.9612 3 1074.4838585 89502 303975344 975245 a-Alanine, conf. I
236704.3499 2.5699 -5.9612 3 1074.4838585 89502 303975345 975246 a-Alanine, conf. I
236715.3729 2.4559 -5.5285 3 626.4394519 89502 30386 878 86 779 a-Alanine, conf. I
236715.3729 2.4559 -5.5285 3 626.4394519 89502 30386 978 86 879 a-Alanine, conf. I
236760.0582 0.1133 -4.8080 3 168.5481249 89502 303411427 401426 a-Alanine, conf. I
236760.5260 2.2596 -5.5741 3 450.6316393 89502 303652937 643034 a-Alanine, conf. I
236763.1943 2.1222 -5.5059 3 343.1305351 89502 303582138 572235 a-Alanine, conf. I
236765.7865 2.2626 -5.5741 3 450.6316393 89502 303652936 643035 a-Alanine, conf. I
236787.2078 0.0240 -5.3827 3 88.9485153 89502 3032522 3 2421 3 a-Alanine, conf. I
236787.2078 0.0240 -4.2416 3 88.9485153 89502 3032522 3 2421 4 a-Alanine, conf. I
236787.2078 0.0240 -4.2416 3 88.9485153 89502 3032522 4 2421 3 a-Alanine, conf. I
236787.2078 0.0240 -5.3827 3 88.9485153 89502 3032522 4 2421 4 a-Alanine, conf. I
236812.4208 0.1831 -4.5736 3 182.4953261 89502 303431330 421429 a-Alanine, conf. I
236817.4637 8.5165 -6.1770 3 415.4094381 89502 303632637 632340 a-Alanine, conf. I
236836.8156 1.2272 -5.5837 3 820.7722495 89502 303825230 825131 a-Alanine, conf. I
236836.8156 1.2272 -5.5837 3 820.7722495 89502 303825231 825132 a-Alanine, conf. I
236852.7772 3.2133 -5.8125 3 475.8052471 89502 30378 276 78 177 a-Alanine, conf. I
236852.7772 3.2133 -5.8125 3 475.8052471 89502 30378 376 78 277 a-Alanine, conf. I
236899.0778 0.3589 -4.8443 3 181.0490255 89502 303421726 411725 a-Alanine, conf. I
236918.4768 0.1563 -5.4471 3 108.7965201 89502 303331321 321221 a-Alanine, conf. I
236972.0129 0.2352 -4.9779 3 209.5722261 89502 303432420 422419 a-Alanine, conf. I
236972.0133 0.2352 -4.9779 3 209.5722261 89502 303432419 422418 a-Alanine, conf. I
236975.5745 2.8127 -5.5695 3 549.2959495 89502 30382 577 82 478 a-Alanine, conf. I
236975.5745 2.8127 -5.5695 3 549.2959495 89502 30382 677 82 578 a-Alanine, conf. I
236976.0323 0.2979 -5.4919 3 105.2073201 89502 303331023 32 923 a-Alanine, conf. I
237020.6386 0.1292 -4.7798 3 199.1430291 89502 30348 642 47 641 a-Alanine, conf. I
237020.6386 0.1292 -4.2349 3 199.1430291 89502 30348 642 47 741 a-Alanine, conf. I
237020.6386 0.1292 -4.2349 3 199.1430291 89502 30348 742 47 641 a-Alanine, conf. I
237020.6386 0.1292 -4.7798 3 199.1430291 89502 30348 742 47 741 a-Alanine, conf. I
237107.2400 1.1579 -5.5647 3 805.8546489 89502 303815229 815130 a-Alanine, conf. I
237107.2400 1.1579 -5.5647 3 805.8546489 89502 303815230 815131 a-Alanine, conf. I
237143.5766 0.0524 -5.5373 3 66.1250159 89502 303261116 25 817 a-Alanine, conf. I
237143.6439 2.4532 -5.9320 3 1056.7989579 89502 303965343 965244 a-Alanine, conf. I
237143.6439 2.4532 -5.9320 3 1056.7989579 89502 303965344 965245 a-Alanine, conf. I
237208.6622 0.2902 -4.8304 3 178.8979255 89502 303421627 411626 a-Alanine, conf. I
237236.2737 14.4071 -6.1713 3 518.4325429 89502 303712645 712348 a-Alanine, conf. I
237332.7161 3.1721 -5.1381 3 245.0288297 89502 303491831 481930 a-Alanine, conf. I
237353.5955 3.9256 -5.9171 3 1005.6937627 89502 303A42084 A41985 a-Alanine, conf. I
237353.5955 3.9256 -5.9171 3 1005.6937627 89502 303A42184 A42085 a-Alanine, conf. I
237367.1167 1.0917 -5.5467 3 791.1217483 89502 303805228 805129 a-Alanine, conf. I
237367.1167 1.0917 -5.5467 3 791.1217483 89502 303805229 805130 a-Alanine, conf. I
237370.7003 2.3281 -5.5511 3 684.6740537 89502 303891079 89 980 a-Alanine, conf. I
237370.7003 2.3281 -5.5511 3 684.6740537 89502 303891179 891080 a-Alanine, conf. I
237382.3519 0.0836 -6.1410 3 89.3197183 89502 303301218 291019 a-Alanine, conf. I
237433.3398 9.9030 -6.1870 3 615.1733465 89502 303773047 772750 a-Alanine, conf. I
237433.8405 0.1342 -4.3324 3 194.5761279 89502 30346 937 451036 a-Alanine, conf. I
237433.8436 0.1342 -4.8007 3 194.5761279 89502 303461037 451036 a-Alanine, conf. I
237433.8483 0.1342 -4.8007 3 194.5761279 89502 30346 937 45 936 a-Alanine, conf. I
237433.8513 0.1342 -4.3324 3 194.5761279 89502 303461037 45 936 a-Alanine, conf. I
237434.9984 1.9987 -6.1481 3 300.4630327 89502 303542134 541837 a-Alanine, conf. I
237462.9447 2.2640 -5.5342 3 434.5693387 89502 303642837 632934 a-Alanine, conf. I
237469.6208 0.2555 -4.9530 3 206.0382261 89502 303432321 422320 a-Alanine, conf. I
237469.6282 0.2556 -4.9530 3 206.0382261 89502 303432320 422319 a-Alanine, conf. I
237483.6783 2.2748 -5.5341 3 434.5692387 89502 303642836 632935 a-Alanine, conf. I
237509.9450 0.0219 -5.3921 3 90.3029159 89502 3032621 5 2520 5 a-Alanine, conf. I
237509.9450 0.0219 -4.2693 3 90.3029159 89502 3032621 5 2520 6 a-Alanine, conf. I
237509.9450 0.0219 -4.2693 3 90.3029159 89502 3032621 6 2520 5 a-Alanine, conf. I
237509.9450 0.0219 -5.3921 3 90.3029159 89502 3032621 6 2520 6 a-Alanine, conf. I
237517.6509 0.1337 -4.8186 3 182.4953261 89502 303431430 421429 a-Alanine, conf. I
237567.7741 2.3406 -5.9034 3 1039.2999573 89502 303955342 955243 a-Alanine, conf. I
237567.7741 2.3406 -5.9034 3 1039.2999573 89502 303955343 955244 a-Alanine, conf. I
237616.7522 1.0286 -5.5295 3 776.5733477 89502 303795227 795128 a-Alanine, conf. I
237616.7522 1.0286 -5.5295 3 776.5733477 89502 303795228 795129 a-Alanine, conf. I
237657.9065 0.1037 -5.6540 3 90.6617195 89502 30332 626 31 526 a-Alanine, conf. I
237658.0940 0.1037 -5.6540 3 90.6617195 89502 30332 726 31 626 a-Alanine, conf. I
237675.1364 5.2434 -6.0932 3 1120.8500657 89502 303A92386 A92287 a-Alanine, conf. I
237675.1364 5.2434 -6.0932 3 1120.8500657 89502 303A92486 A92387 a-Alanine, conf. I
237807.7862 3.3908 -6.0679 3 456.0122465 89502 30377 176 77 077 a-Alanine, conf. I
237807.7862 3.3908 -6.0679 3 456.0122465 89502 30377 276 77 177 a-Alanine, conf. I
237823.4531 2.3097 -5.5960 3 744.9196555 89502 303921280 921181 a-Alanine, conf. I
237823.4531 2.3097 -5.5960 3 744.9196555 89502 303921380 921281 a-Alanine, conf. I
237842.5724 3.2625 -5.8201 3 937.5651609 89502 303A11883 A11784 a-Alanine, conf. I
237842.5724 3.2625 -5.8201 3 937.5651609 89502 303A11983 A11884 a-Alanine, conf. I
237856.4444 0.9687 -5.5133 3 762.2095471 89502 303785226 785127 a-Alanine, conf. I
237856.4444 0.9687 -5.5133 3 762.2095471 89502 303785227 785128 a-Alanine, conf. I
237904.3343 0.3041 -5.4056 3 122.4643213 89502 303351322 341222 a-Alanine, conf. I
237910.3133 2.6023 -5.5367 3 604.8159513 89502 30385 778 85 679 a-Alanine, conf. I
237910.3133 2.6023 -5.5367 3 604.8159513 89502 30385 878 85 779 a-Alanine, conf. I
237977.1867 2.2317 -5.8755 3 1021.9865567 89502 303945341 945242 a-Alanine, conf. I
237977.1867 2.2317 -5.8755 3 1021.9865567 89502 303945342 945243 a-Alanine, conf. I
237998.1257 1.2054 -6.1970 3 273.3300309 89502 303512230 511933 a-Alanine, conf. I
238044.8876 2.9863 -5.6187 3 528.5807489 89502 30381 477 81 378 a-Alanine, conf. I
238044.8876 2.9863 -5.6187 3 528.5807489 89502 30381 577 81 478 a-Alanine, conf. I
238056.6830 0.2786 -4.9293 3 202.6863261 89502 303432222 422221 a-Alanine, conf. I
238056.7881 0.2786 -4.9293 3 202.6863261 89502 303432221 422220 a-Alanine, conf. I
238061.9486 2.4470 -5.6578 3 807.1608573 89502 303951481 951382 a-Alanine, conf. I
238061.9486 2.4470 -5.6578 3 807.1608573 89502 303951581 951482 a-Alanine, conf. I
238067.3687 0.1919 -4.7429 3 204.8776309 89502 30351 249 50 248 a-Alanine, conf. I
238067.3687 0.1919 -4.1319 3 204.8776309 89502 30351 249 50 348 a-Alanine, conf. I
238067.3687 0.1919 -4.1319 3 204.8776309 89502 30351 349 50 248 a-Alanine, conf. I
238067.3687 0.1919 -4.7429 3 204.8776309 89502 30351 349 50 348 a-Alanine, conf. I
238073.1849 2.7650 -5.7332 3 871.3816591 89502 303981682 981583 a-Alanine, conf. I
238073.1849 2.7650 -5.7332 3 871.3816591 89502 303981782 981683 a-Alanine, conf. I
238086.4833 0.9122 -5.4980 3 748.0300465 89502 303775225 775126 a-Alanine, conf. I
238086.4833 0.9122 -5.4980 3 748.0300465 89502 303775226 775127 a-Alanine, conf. I
238167.1383 0.2325 -5.4880 3 105.2218201 89502 303331123 321023 a-Alanine, conf. I
238175.6957 0.1304 -4.8158 3 182.4499261 89502 303431330 421329 a-Alanine, conf. I
238209.8137 0.0239 -5.4006 3 92.0155165 89502 3032720 7 2619 7 a-Alanine, conf. I
238209.8137 0.0239 -4.2993 3 92.0155165 89502 3032720 7 2619 8 a-Alanine, conf. I
238209.8137 0.0239 -4.2993 3 92.0155165 89502 3032720 8 2619 7 a-Alanine, conf. I
238209.8137 0.0239 -5.4006 3 92.0155165 89502 3032720 8 2619 8 a-Alanine, conf. I
238307.1513 0.8592 -5.4837 3 734.0349459 89502 303765224 765125 a-Alanine, conf. I
238307.1513 0.8592 -5.4837 3 734.0349459 89502 303765225 765126 a-Alanine, conf. I
238367.5490 0.1336 -4.4792 3 187.8953267 89502 303441232 431331 a-Alanine, conf. I
238372.3116 2.1266 -5.8482 3 1004.8587561 89502 303935340 935241 a-Alanine, conf. I
238372.3116 2.1266 -5.8482 3 1004.8587561 89502 303935341 935242 a-Alanine, conf. I
238373.2168 2.2763 -5.4949 3 418.8554381 89502 303632737 622834 a-Alanine, conf. I
238408.5880 0.1331 -4.8137 3 187.8953267 89502 303441332 431331 a-Alanine, conf. I
238411.6870 0.1335 -4.7687 3 202.8519297 89502 30349 544 48 543 a-Alanine, conf. I
238411.6870 0.1335 -4.2039 3 202.8519297 89502 30349 544 48 643 a-Alanine, conf. I
238411.6870 0.1335 -4.2039 3 202.8519297 89502 30349 644 48 543 a-Alanine, conf. I
238411.6870 0.1335 -4.7687 3 202.8519297 89502 30349 644 48 643 a-Alanine, conf. I
238451.0287 2.3132 -5.4946 3 418.8553381 89502 303632736 622835 a-Alanine, conf. I
238455.0359 0.1329 -4.8135 3 187.8924267 89502 303441232 431231 a-Alanine, conf. I
238496.0750 0.1329 -4.4787 3 187.8924267 89502 303441332 431231 a-Alanine, conf. I
238518.7236 0.8099 -5.4705 3 720.2239453 89502 303755223 755124 a-Alanine, conf. I
238518.7236 0.8099 -5.4705 3 720.2239453 89502 303755224 755125 a-Alanine, conf. I
238542.8765 0.6339 -5.1316 3 88.1855183 89502 303301119 291020 a-Alanine, conf. I
238585.8103 4.3495 -5.9822 3 1049.5124639 89502 303A62185 A62086 a-Alanine, conf. I
238585.8103 4.3495 -5.9822 3 1049.5124639 89502 303A62285 A62186 a-Alanine, conf. I
238658.4526 2.4343 -5.5455 3 662.3683531 89502 30388 979 88 880 a-Alanine, conf. I
238658.4526 2.4343 -5.5455 3 662.3683531 89502 303881079 88 980 a-Alanine, conf. I
238688.0381 5.7861 -6.1660 3 1166.7893669 89502 303B12487 B12388 a-Alanine, conf. I
238688.0381 5.7861 -6.1660 3 1166.7893669 89502 303B12587 B12488 a-Alanine, conf. I
238721.4684 0.7645 -5.4584 3 706.5971447 89502 303745222 745123 a-Alanine, conf. I
238721.4684 0.7645 -5.4584 3 706.5971447 89502 303745223 745124 a-Alanine, conf. I
238753.5633 2.0250 -5.8216 3 987.9163555 89502 303925339 925240 a-Alanine, conf. I
238753.5633 2.0250 -5.8216 3 987.9163555 89502 303925340 925241 a-Alanine, conf. I
238760.6271 0.1203 -5.6842 3 55.2644153 89502 30325 619 24 520 a-Alanine, conf. I
238761.1644 0.3051 -4.9066 3 199.5226261 89502 303432123 422122 a-Alanine, conf. I
238762.4354 0.3054 -4.9066 3 199.5227261 89502 303432122 422121 a-Alanine, conf. I
238770.8208 0.1353 -4.2919 3 198.9407285 89502 30347 839 46 938 a-Alanine, conf. I
238770.8209 0.1353 -4.7910 3 198.9407285 89502 30347 939 46 938 a-Alanine, conf. I
238770.8210 0.1353 -4.7910 3 198.9407285 89502 30347 839 46 838 a-Alanine, conf. I
238770.8210 0.1353 -4.2919 3 198.9407285 89502 30347 939 46 838 a-Alanine, conf. I
238779.9991 3.4092 -6.1865 3 1211.2681627 89502 303A45450 A45351 a-Alanine, conf. I
238779.9991 3.4092 -6.1865 3 1211.2681627 89502 303A45451 A45352 a-Alanine, conf. I
238801.6976 1.1211 -6.1321 3 313.4955333 89502 303552234 551937 a-Alanine, conf. I
238859.7415 0.1175 -5.6839 3 55.2644153 89502 30325 719 24 420 a-Alanine, conf. I
238862.0301 0.0938 -5.7162 3 88.0899195 89502 30332 527 31 427 a-Alanine, conf. I
238862.0392 0.0938 -5.7162 3 88.0899195 89502 30332 627 31 527 a-Alanine, conf. I
238867.7378 0.5698 -4.8367 3 181.1212255 89502 303421725 411724 a-Alanine, conf. I
238868.6714 0.0277 -5.4083 3 94.0932171 89502 3032819 9 2718 9 a-Alanine, conf. I
238868.6714 0.0277 -4.3324 3 94.0932171 89502 303281910 2718 9 a-Alanine, conf. I
238868.6715 0.0277 -4.3324 3 94.0932171 89502 3032819 9 271810 a-Alanine, conf. I
238868.6715 0.0277 -5.4083 3 94.0932171 89502 303281910 271810 a-Alanine, conf. I
238880.9258 0.1722 -4.5649 3 182.4499261 89502 303431430 421329 a-Alanine, conf. I
238915.6473 0.7234 -5.4474 3 693.1543441 89502 303735221 735122 a-Alanine, conf. I
238915.6473 0.7234 -5.4474 3 693.1543441 89502 303735222 735123 a-Alanine, conf. I
239063.1492 0.2898 -6.0579 3 309.5305267 89502 3034442 2 4342 1 a-Alanine, conf. I
239063.1492 0.2898 -6.0579 3 309.5305267 89502 3034442 3 4342 2 a-Alanine, conf. I
239064.2537 2.7633 -5.5544 3 583.4085507 89502 30384 678 84 579 a-Alanine, conf. I
239064.2537 2.7633 -5.5544 3 583.4085507 89502 30384 778 84 679 a-Alanine, conf. I
239077.4398 3.1645 -5.6965 3 508.0862483 89502 30380 377 80 278 a-Alanine, conf. I
239077.4398 3.1645 -5.6965 3 508.0862483 89502 30380 477 80 378 a-Alanine, conf. I
239101.5158 0.6867 -5.4377 3 679.8954435 89502 303725220 725121 a-Alanine, conf. I
239101.5158 0.6867 -5.4377 3 679.8954435 89502 303725221 725122 a-Alanine, conf. I
239121.3422 1.9268 -5.7956 3 971.1594549 89502 303915338 915239 a-Alanine, conf. I
239121.3422 1.9268 -5.7956 3 971.1594549 89502 303915339 915240 a-Alanine, conf. I
239141.1188 0.2676 -5.8731 3 303.0422267 89502 3034441 3 4341 2 a-Alanine, conf. I
239141.1188 0.2676 -5.8731 3 303.0422267 89502 3034441 4 4341 3 a-Alanine, conf. I
239209.9731 2.3504 -5.5808 3 721.9387549 89502 303911180 911081 a-Alanine, conf. I
239209.9731 2.3504 -5.5808 3 721.9387549 89502 303911280 911181 a-Alanine, conf. I
239210.2611 3.6075 -5.8798 3 980.0910621 89502 303A31984 A31885 a-Alanine, conf. I
239210.2611 3.6075 -5.8798 3 980.0910621 89502 303A32084 A31985 a-Alanine, conf. I
239225.9661 0.2467 -5.7398 3 296.7128267 89502 3034440 4 4340 3 a-Alanine, conf. I
239225.9661 0.2467 -5.7398 3 296.7128267 89502 3034440 5 4340 4 a-Alanine, conf. I
239279.3230 0.6549 -5.4294 3 666.8204429 89502 303715219 715120 a-Alanine, conf. I
239279.3230 0.6549 -5.4294 3 666.8204429 89502 303715220 715121 a-Alanine, conf. I
239299.0846 3.2644 -6.1534 3 1192.2979621 89502 303A35449 A35350 a-Alanine, conf. I
239299.0846 3.2644 -6.1534 3 1192.2979621 89502 303A35450 A35351 a-Alanine, conf. I
239306.2072 0.4385 -4.7999 3 169.8454249 89502 303411526 401525 a-Alanine, conf. I
239318.4046 0.2275 -5.6349 3 290.5426267 89502 3034439 5 4339 4 a-Alanine, conf. I
239318.4046 0.2275 -5.6349 3 290.5426267 89502 3034439 6 4339 5 a-Alanine, conf. I
239419.2494 0.2100 -5.5481 3 284.5320267 89502 3034438 6 4338 5 a-Alanine, conf. I
239419.2494 0.2100 -5.5481 3 284.5320267 89502 3034438 7 4338 6 a-Alanine, conf. I
239432.5268 0.0736 -6.0543 3 47.2778147 89502 30324 420 23 321 a-Alanine, conf. I
239433.5197 0.0736 -6.0543 3 47.2778147 89502 30324 520 23 221 a-Alanine, conf. I
239433.6058 0.2404 -4.7309 3 207.7724315 89502 30352 151 51 150 a-Alanine, conf. I
239433.6058 0.2404 -4.1073 3 207.7724315 89502 30352 151 51 250 a-Alanine, conf. I
239433.6058 0.2404 -4.1073 3 207.7724315 89502 30352 251 51 150 a-Alanine, conf. I
239433.6058 0.2404 -4.7309 3 207.7724315 89502 30352 251 51 250 a-Alanine, conf. I
239439.2164 0.1367 -4.4137 3 193.0101273 89502 303451134 441233 a-Alanine, conf. I
239440.9029 0.1367 -4.8073 3 193.0101273 89502 303451234 441233 a-Alanine, conf. I
239443.0729 0.1367 -4.8073 3 193.0100273 89502 303451134 441133 a-Alanine, conf. I
239444.7594 0.1367 -4.4137 3 193.0100273 89502 303451234 441133 a-Alanine, conf. I
239449.3123 0.6281 -5.4225 3 653.9292423 89502 303705218 705119 a-Alanine, conf. I
239449.3123 0.6281 -5.4225 3 653.9292423 89502 303705219 705120 a-Alanine, conf. I
239455.5394 0.0321 -4.3699 3 96.5459177 89502 303291812 281711 a-Alanine, conf. I
239455.5404 0.0321 -5.4150 3 96.5459177 89502 303291811 281711 a-Alanine, conf. I
239455.5457 0.0321 -5.4150 3 96.5459177 89502 303291812 281712 a-Alanine, conf. I
239455.5467 0.0321 -4.3699 3 96.5459177 89502 303291811 281712 a-Alanine, conf. I
239476.0351 1.8320 -5.7704 3 954.5877543 89502 303905337 905238 a-Alanine, conf. I
239476.0351 1.8320 -5.7704 3 954.5877543 89502 303905338 905239 a-Alanine, conf. I
239517.3643 2.2866 -5.4564 3 403.4926375 89502 303622637 612734 a-Alanine, conf. I
239529.4349 0.1947 -5.4739 3 278.6813267 89502 3034437 7 4337 6 a-Alanine, conf. I
239529.4349 0.1947 -5.4739 3 278.6813267 89502 3034437 8 4337 7 a-Alanine, conf. I
239553.8578 2.3997 -5.6354 3 783.5122567 89502 303941381 941282 a-Alanine, conf. I
239553.8578 2.3997 -5.6354 3 783.5122567 89502 303941481 941382 a-Alanine, conf. I
239568.4835 3.0265 -5.7871 3 912.6052603 89502 303A01783 A01684 a-Alanine, conf. I
239568.4835 3.0265 -5.7871 3 912.6052603 89502 303A01883 A01784 a-Alanine, conf. I
239597.4797 0.0431 -4.5420 3 106.3544195 89502 303321518 311417 a-Alanine, conf. I
239611.7218 0.6067 -5.4171 3 641.2217417 89502 303695217 695118 a-Alanine, conf. I
239611.7218 0.6067 -5.4171 3 641.2217417 89502 303695218 695119 a-Alanine, conf. I
239623.3954 0.3364 -4.8848 3 196.5559261 89502 303432024 422023 a-Alanine, conf. I
239636.3603 0.3387 -4.8848 3 196.5562261 89502 303432023 422022 a-Alanine, conf. I
239650.0377 0.1819 -5.4091 3 272.9909267 89502 3034436 8 4336 7 a-Alanine, conf. I
239650.0377 0.1819 -5.4091 3 272.9909267 89502 3034436 9 4336 8 a-Alanine, conf. I
239677.9029 2.6209 -5.7050 3 847.0732585 89502 303971582 971483 a-Alanine, conf. I
239677.9029 2.6209 -5.7050 3 847.0732585 89502 303971682 971583 a-Alanine, conf. I
239708.4539 0.0432 -5.4298 3 106.3544195 89502 303321517 311417 a-Alanine, conf. I
239710.0021 3.6096 -5.1911 3 266.1783309 89502 303511932 502031 a-Alanine, conf. I
239747.5907 4.8136 -6.0502 3 1094.1742651 89502 303A82286 A82187 a-Alanine, conf. I
239747.5907 4.8136 -6.0502 3 1094.1742651 89502 303A82386 A82287 a-Alanine, conf. I
239766.7838 0.5907 -5.4134 3 628.6977411 89502 303685216 685117 a-Alanine, conf. I
239766.7838 0.5907 -5.4134 3 628.6977411 89502 303685217 685118 a-Alanine, conf. I
239782.3045 0.1719 -5.3514 3 267.4611267 89502 3034435 9 4335 8 a-Alanine, conf. I
239782.3045 0.1719 -5.3514 3 267.4611267 89502 303443510 4335 9 a-Alanine, conf. I
239793.7270 2.4051 -5.4553 3 403.4921375 89502 303622636 612735 a-Alanine, conf. I
239801.0077 3.1247 -6.1208 3 1173.5137615 89502 303A25448 A25349 a-Alanine, conf. I
239801.0077 3.1247 -6.1208 3 1173.5137615 89502 303A25449 A25350 a-Alanine, conf. I
239802.0250 0.1452 -4.7575 3 206.3661303 89502 30350 446 49 445 a-Alanine, conf. I
239802.0250 0.1452 -4.1751 3 206.3661303 89502 30350 446 49 545 a-Alanine, conf. I
239802.0250 0.1452 -4.1751 3 206.3661303 89502 30350 546 49 445 a-Alanine, conf. I
239802.0250 0.1452 -4.7575 3 206.3661303 89502 30350 546 49 545 a-Alanine, conf. I
239818.0160 1.7404 -5.7458 3 938.2012537 89502 303895336 895237 a-Alanine, conf. I
239818.0160 1.7404 -5.7458 3 938.2012537 89502 303895337 895238 a-Alanine, conf. I
239832.3446 6.6169 -5.7957 3 403.1651381 89502 303632242 622339 a-Alanine, conf. I
239839.1974 12.8771 -6.1824 3 510.4817429 89502 303712448 702545 a-Alanine, conf. I
239859.4876 0.1014 -5.4217 3 117.0179207 89502 303341420 331320 a-Alanine, conf. I
239902.1257 2.5664 -5.5458 3 640.2754525 89502 30387 879 87 780 a-Alanine, conf. I
239902.1257 2.5664 -5.5458 3 640.2754525 89502 30387 979 87 880 a-Alanine, conf. I
239906.9767 0.0990 -5.7965 3 85.3792195 89502 30332 428 31 328 a-Alanine, conf. I
239906.9770 0.0990 -5.7965 3 85.3792195 89502 30332 528 31 428 a-Alanine, conf. I
239914.5332 0.0368 -4.4138 3 99.3879183 89502 303301714 291613 a-Alanine, conf. I
239914.6120 0.0368 -5.4207 3 99.3879183 89502 303301713 291613 a-Alanine, conf. I
239914.7257 0.5803 -5.4116 3 616.3573405 89502 303675215 675116 a-Alanine, conf. I
239914.7257 0.5803 -5.4116 3 616.3573405 89502 303675216 675117 a-Alanine, conf. I
239914.9520 0.0368 -5.4207 3 99.3879183 89502 303301714 291614 a-Alanine, conf. I
239915.0308 0.0368 -4.4138 3 99.3879183 89502 303301713 291614 a-Alanine, conf. I
239927.6876 0.1652 -5.2994 3 262.0927267 89502 303443410 4334 9 a-Alanine, conf. I
239927.6876 0.1652 -5.2994 3 262.0927267 89502 303443411 433410 a-Alanine, conf. I
240016.3914 0.0487 -5.4289 3 106.3404195 89502 303321518 311418 a-Alanine, conf. I
240055.7699 0.5753 -5.4117 3 604.2003399 89502 303665214 665115 a-Alanine, conf. I
240055.7699 0.5753 -5.4117 3 604.2003399 89502 303665215 665116 a-Alanine, conf. I
240074.5984 3.3452 -5.8260 3 487.8139477 89502 30379 277 79 178 a-Alanine, conf. I
240074.5984 3.3452 -5.8260 3 487.8139477 89502 30379 377 79 278 a-Alanine, conf. I
240087.8892 0.1619 -5.2522 3 256.8860267 89502 303443311 433310 a-Alanine, conf. I
240087.8892 0.1619 -5.2522 3 256.8860267 89502 303443312 433311 a-Alanine, conf. I
240099.7005 3.1048 -5.3529 3 348.6589351 89502 303582335 572434 a-Alanine, conf. I
240123.0705 0.0848 -5.4300 3 110.4988201 89502 303331420 321320 a-Alanine, conf. I
240126.4002 0.0415 -4.4680 3 102.6421189 89502 303311616 301515 a-Alanine, conf. I
240127.3656 0.0532 -4.5405 3 106.3404195 89502 303321517 311418 a-Alanine, conf. I
240130.1444 0.0416 -5.4254 3 102.6421189 89502 303311615 301515 a-Alanine, conf. I
240139.6201 0.1356 -4.7809 3 203.0961291 89502 30348 741 47 740 a-Alanine, conf. I
240139.6201 0.1356 -4.2558 3 203.0961291 89502 30348 741 47 840 a-Alanine, conf. I
240139.6201 0.1356 -4.2558 3 203.0961291 89502 30348 841 47 740 a-Alanine, conf. I
240139.6201 0.1356 -4.7809 3 203.0961291 89502 30348 841 47 840 a-Alanine, conf. I
240143.4580 0.0419 -5.4253 3 102.6415189 89502 303311616 301516 a-Alanine, conf. I
240147.2022 0.0420 -4.4679 3 102.6415189 89502 303311615 301516 a-Alanine, conf. I
240147.6470 1.6519 -5.7219 3 921.9998531 89502 303885335 885236 a-Alanine, conf. I
240147.6470 1.6519 -5.7219 3 921.9998531 89502 303885336 885237 a-Alanine, conf. I
240178.8020 2.9345 -5.5849 3 562.2189501 89502 30383 578 83 479 a-Alanine, conf. I
240178.8020 2.9345 -5.5849 3 562.2189501 89502 30383 678 83 579 a-Alanine, conf. I
240190.1341 0.5755 -5.4142 3 592.2267393 89502 303655213 655114 a-Alanine, conf. I
240190.1341 0.5755 -5.4142 3 592.2267393 89502 303655214 655115 a-Alanine, conf. I
240196.9424 0.2120 -5.5149 3 103.1824201 89502 30333 924 32 824 a-Alanine, conf. I
240259.5716 11.3838 -6.1916 3 419.8396387 89502 303642341 642044 a-Alanine, conf. I
240264.9189 0.1621 -5.2090 3 251.8419267 89502 303443212 433211 a-Alanine, conf. I
240264.9189 0.1621 -5.2090 3 251.8419267 89502 303443213 433212 a-Alanine, conf. I
240286.2817 2.9899 -6.0889 3 1154.9154609 89502 303A15447 A15348 a-Alanine, conf. I
240286.2817 2.9899 -6.0889 3 1154.9154609 89502 303A15448 A15349 a-Alanine, conf. I
240318.0312 0.5806 -5.4192 3 580.4363387 89502 303645212 645113 a-Alanine, conf. I
240318.0312 0.5806 -5.4192 3 580.4363387 89502 303645213 645114 a-Alanine, conf. I
240353.9055 0.1362 -4.8038 3 176.4456255 89502 303421428 411427 a-Alanine, conf. I
240359.4923 0.2020 -5.5143 3 103.1839201 89502 303331024 32 924 a-Alanine, conf. I
240439.6697 0.5901 -5.4271 3 568.8291381 89502 303635211 635112 a-Alanine, conf. I
240439.6697 0.5901 -5.4271 3 568.8291381 89502 303635212 635113 a-Alanine, conf. I
240461.1677 0.1658 -5.1691 3 246.9611267 89502 303443113 433112 a-Alanine, conf. I
240461.1677 0.1658 -5.1691 3 246.9611267 89502 303443114 433113 a-Alanine, conf. I
240465.2789 1.5666 -5.6988 3 905.9833525 89502 303875334 875235 a-Alanine, conf. I
240465.2789 1.5666 -5.6988 3 905.9833525 89502 303875335 875236 a-Alanine, conf. I
240465.4681 0.4318 -5.4577 3 113.1120207 89502 303341123 331023 a-Alanine, conf. I
240511.3915 3.9930 -5.9428 3 1023.4651633 89502 303A52085 A51986 a-Alanine, conf. I
240511.3915 3.9930 -5.9428 3 1023.4651633 89502 303A52185 A52086 a-Alanine, conf. I
240548.9891 2.4304 -5.5698 3 699.1673543 89502 303901080 90 981 a-Alanine, conf. I
240548.9891 2.4304 -5.5698 3 699.1673543 89502 303901180 901081 a-Alanine, conf. I
240555.2538 0.6036 -5.4383 3 557.4051375 89502 303625210 625111 a-Alanine, conf. I
240555.2538 0.6036 -5.4383 3 557.4051375 89502 303625211 625112 a-Alanine, conf. I
240617.7289 2.6283 -6.1873 3 287.5927321 89502 303532034 531737 a-Alanine, conf. I
240637.3782 0.1398 -4.3614 3 197.8692279 89502 303461036 451135 a-Alanine, conf. I
240637.4298 0.1398 -4.7996 3 197.8692279 89502 303461136 451135 a-Alanine, conf. I
240637.5031 0.1398 -4.7996 3 197.8692279 89502 303461036 451035 a-Alanine, conf. I
240637.5548 0.1398 -4.3614 3 197.8692279 89502 303461136 451035 a-Alanine, conf. I
240664.9834 0.6205 -5.4535 3 546.1641369 89502 3036152 9 615110 a-Alanine, conf. I
240664.9834 0.6205 -5.4535 3 546.1641369 89502 303615210 615111 a-Alanine, conf. I
240679.5064 0.1726 -5.1321 3 242.2446267 89502 303443014 433013 a-Alanine, conf. I
240679.5064 0.1726 -5.1321 3 242.2446267 89502 303443015 433014 a-Alanine, conf. I
240686.4780 0.3714 -4.8636 3 193.7981261 89502 303431925 421924 a-Alanine, conf. I
240695.5846 0.1724 -4.8138 3 184.7083261 89502 303431529 421528 a-Alanine, conf. I
240743.8224 0.0397 -5.3477 3 91.4665147 89502 3032424 0 2323 0 a-Alanine, conf. I
240743.8224 0.0397 -4.1836 3 91.4665147 89502 3032424 0 2323 1 a-Alanine, conf. I
240743.8224 0.0397 -4.1836 3 91.4665147 89502 3032424 1 2323 0 a-Alanine, conf. I
240743.8224 0.0397 -5.3477 3 91.4665147 89502 3032424 1 2323 1 a-Alanine, conf. I
240755.3997 2.8597 -6.0576 3 1136.5030603 89502 303A05446 A05347 a-Alanine, conf. I
240755.3997 2.8597 -6.0576 3 1136.5030603 89502 303A05447 A05348 a-Alanine, conf. I
240769.0544 0.6403 -5.4733 3 535.1060363 89502 3036052 8 6051 9 a-Alanine, conf. I
240769.0544 0.6403 -5.4733 3 535.1060363 89502 3036052 9 605110 a-Alanine, conf. I
240771.2515 1.4844 -5.6764 3 890.1517519 89502 303865333 865234 a-Alanine, conf. I
240771.2515 1.4844 -5.6764 3 890.1517519 89502 303865334 865235 a-Alanine, conf. I
240785.3772 0.3027 -4.7189 3 210.4776321 89502 30353 053 52 052 a-Alanine, conf. I
240785.3772 0.3027 -4.0839 3 210.4776321 89502 30353 053 52 152 a-Alanine, conf. I
240785.3772 0.3027 -4.0839 3 210.4776321 89502 30353 153 52 052 a-Alanine, conf. I
240785.3772 0.3027 -4.7189 3 210.4776321 89502 30353 153 52 152 a-Alanine, conf. I
240795.4580 0.3884 -4.8632 3 193.8009261 89502 303431924 421923 a-Alanine, conf. I
240827.2166 0.1171 -5.9052 3 82.5344195 89502 30332 329 31 229 a-Alanine, conf. I
240827.2166 0.1171 -5.9052 3 82.5344195 89502 30332 429 31 329 a-Alanine, conf. I
240836.9542 5.3187 -6.1211 3 1139.6764663 89502 303B02387 B02288 a-Alanine, conf. I
240836.9542 5.3187 -6.1211 3 1139.6764663 89502 303B02487 B02388 a-Alanine, conf. I
240865.2762 2.2634 -5.4195 3 388.4845369 89502 303612537 602634 a-Alanine, conf. I
240867.6588 0.6626 -5.4989 3 524.2309357 89502 3035952 7 5951 8 a-Alanine, conf. I
240867.6588 0.6626 -5.4989 3 524.2309357 89502 3035952 8 5951 9 a-Alanine, conf. I
240923.4173 0.1823 -5.0977 3 237.6934267 89502 303442915 432914 a-Alanine, conf. I
240923.4173 0.1823 -5.0977 3 237.6934267 89502 303442916 432915 a-Alanine, conf. I
240960.9846 0.6868 -5.5315 3 513.5385351 89502 3035852 6 5851 7 a-Alanine, conf. I
240960.9846 0.6868 -5.5315 3 513.5385351 89502 3035852 7 5851 8 a-Alanine, conf. I
240994.4262 2.4020 -5.6162 3 760.0695561 89502 303931281 931182 a-Alanine, conf. I
240994.4262 2.4020 -5.6162 3 760.0695561 89502 303931381 931282 a-Alanine, conf. I
241000.6534 3.3301 -5.8444 3 954.6819615 89502 303A21884 A21785 a-Alanine, conf. I
241000.6534 3.3301 -5.8444 3 954.6819615 89502 303A21984 A21885 a-Alanine, conf. I
241037.6533 3.5270 -6.0810 3 467.7651471 89502 30378 177 78 078 a-Alanine, conf. I
241037.6533 3.5270 -6.0810 3 467.7651471 89502 30378 277 78 178 a-Alanine, conf. I
241049.2162 0.7126 -5.5735 3 503.0289345 89502 3035752 5 5751 6 a-Alanine, conf. I
241049.2162 0.7126 -5.5735 3 503.0289345 89502 3035752 6 5751 7 a-Alanine, conf. I
241065.8948 1.4051 -5.6547 3 874.5049513 89502 303855332 855233 a-Alanine, conf. I
241065.8948 1.4051 -5.6547 3 874.5049513 89502 303855333 855234 a-Alanine, conf. I
241097.9317 9.8871 -5.9921 3 455.2470405 89502 303672345 662442 a-Alanine, conf. I
241103.5112 2.7180 -5.5535 3 618.3971519 89502 30386 779 86 680 a-Alanine, conf. I
241103.5112 2.7180 -5.5535 3 618.3971519 89502 30386 879 86 780 a-Alanine, conf. I
241132.5342 0.7396 -5.6279 3 492.7020339 89502 3035652 4 5651 5 a-Alanine, conf. I
241132.5342 0.7396 -5.6279 3 492.7020339 89502 3035652 5 5651 6 a-Alanine, conf. I
241186.4254 0.1683 -4.7462 3 209.6879309 89502 30351 348 50 347 a-Alanine, conf. I
241186.4254 0.1683 -4.1483 3 209.6879309 89502 30351 348 50 447 a-Alanine, conf. I
241186.4254 0.1683 -4.1483 3 209.6879309 89502 30351 448 50 347 a-Alanine, conf. I
241186.4254 0.1683 -4.7462 3 209.6879309 89502 30351 448 50 447 a-Alanine, conf. I
241197.1751 0.1944 -5.0656 3 233.3090267 89502 303442816 432815 a-Alanine, conf. I
241197.1751 0.1944 -5.0656 3 233.3090267 89502 303442817 432816 a-Alanine, conf. I
241208.8352 2.7340 -6.0269 3 1118.2762597 89502 303995445 995346 a-Alanine, conf. I
241208.8352 2.7340 -6.0269 3 1118.2762597 89502 303995446 995347 a-Alanine, conf. I
241211.1156 0.7676 -5.7004 3 482.5576333 89502 3035552 3 5551 4 a-Alanine, conf. I
241211.1156 0.7676 -5.7004 3 482.5576333 89502 3035552 4 5551 5 a-Alanine, conf. I
241226.9480 2.5285 -5.6793 3 822.9669579 89502 303961482 961383 a-Alanine, conf. I
241226.9480 2.5285 -5.6793 3 822.9669579 89502 303961582 961483 a-Alanine, conf. I
241233.7893 2.8375 -5.7561 3 887.8433597 89502 303991683 991584 a-Alanine, conf. I
241233.7893 2.8375 -5.7561 3 887.8433597 89502 303991783 991684 a-Alanine, conf. I
241255.4672 3.1128 -5.6337 3 541.2484495 89502 30382 478 82 379 a-Alanine, conf. I
241255.4672 3.1128 -5.6337 3 541.2484495 89502 30382 578 82 479 a-Alanine, conf. I
241285.1340 0.7964 -5.8012 3 472.5958327 89502 3035452 2 5451 3 a-Alanine, conf. I
241285.1340 0.7964 -5.8012 3 472.5958327 89502 3035452 3 5451 4 a-Alanine, conf. I
241349.5289 1.3289 -5.6339 3 859.0428507 89502 303845331 845232 a-Alanine, conf. I
241349.5289 1.3289 -5.6339 3 859.0428507 89502 303845332 845233 a-Alanine, conf. I
241354.7595 0.8256 -5.9534 3 462.8165321 89502 3035352 1 5351 2 a-Alanine, conf. I
241354.7595 0.8256 -5.9534 3 462.8165321 89502 3035352 2 5351 3 a-Alanine, conf. I
241481.6367 0.0291 -5.3581 3 92.3049153 89502 3032523 2 2422 2 a-Alanine, conf. I
241481.6367 0.0291 -4.2084 3 92.3049153 89502 3032523 2 2422 3 a-Alanine, conf. I
241481.6367 0.0291 -4.2084 3 92.3049153 89502 3032523 3 2422 2 a-Alanine, conf. I
241481.6367 0.0291 -5.3581 3 92.3049153 89502 3032523 3 2422 3 a-Alanine, conf. I
241506.1009 0.2087 -5.0354 3 229.0928267 89502 303442717 432716 a-Alanine, conf. I
241506.1009 0.2087 -5.0354 3 229.0928267 89502 303442718 432717 a-Alanine, conf. I
241523.9864 0.1368 -4.7706 3 207.0492297 89502 30349 643 48 642 a-Alanine, conf. I
241523.9864 0.1368 -4.2232 3 207.0492297 89502 30349 643 48 742 a-Alanine, conf. I
241523.9864 0.1368 -4.2232 3 207.0492297 89502 30349 743 48 642 a-Alanine, conf. I
241523.9864 0.1368 -4.7706 3 207.0492297 89502 30349 743 48 742 a-Alanine, conf. I
241588.5420 0.1579 -4.5377 3 190.4181267 89502 303441331 431430 a-Alanine, conf. I
241622.4649 1.2558 -5.6138 3 843.7653501 89502 303835330 835231 a-Alanine, conf. I
241622.4649 1.2558 -5.6138 3 843.7653501 89502 303835331 835232 a-Alanine, conf. I
241646.9543 0.1434 -6.0652 3 79.5591195 89502 30332 230 31 130 a-Alanine, conf. I
241646.9543 0.1434 -6.0652 3 79.5591195 89502 30332 330 31 230 a-Alanine, conf. I
241647.0439 2.6126 -5.9967 3 1100.2351591 89502 303985444 985345 a-Alanine, conf. I
241647.0439 2.6126 -5.9967 3 1100.2351591 89502 303985445 985346 a-Alanine, conf. I
241672.0357 2.5860 -5.8552 3 585.9259441 89502 303733638 723735 a-Alanine, conf. I
241672.0361 2.5860 -5.8552 3 585.9259441 89502 303733637 723736 a-Alanine, conf. I
241693.7954 0.9591 -5.3668 3 345.6771351 89502 303582237 572334 a-Alanine, conf. I
241694.0925 2.6235 -5.8996 3 604.8992447 89502 303743737 733836 a-Alanine, conf. I
241694.0925 2.6235 -5.8996 3 604.8992447 89502 303743738 733835 a-Alanine, conf. I
241706.0459 2.5515 -5.8112 3 567.2926435 89502 303723538 713635 a-Alanine, conf. I
241706.0475 2.5515 -5.8112 3 567.2926435 89502 303723537 713636 a-Alanine, conf. I
241744.2093 4.4191 -6.0087 3 1067.6849645 89502 303A72186 A72087 a-Alanine, conf. I
241744.2093 4.4191 -6.0087 3 1067.6849645 89502 303A72286 A72187 a-Alanine, conf. I
241751.8241 0.1925 -5.3753 3 69.5460165 89502 303271018 26 719 a-Alanine, conf. I
241764.6406 2.6637 -5.9447 3 624.2119453 89502 303753838 743935 a-Alanine, conf. I
241764.6407 2.6637 -5.9447 3 624.2119453 89502 303753837 743936 a-Alanine, conf. I
241786.0343 2.6160 -5.4158 3 388.4826369 89502 303612536 602635 a-Alanine, conf. I
241805.3530 2.5206 -5.7679 3 548.9998429 89502 303713438 703535 a-Alanine, conf. I
241805.3608 2.5207 -5.7679 3 548.9998429 89502 303713437 703536 a-Alanine, conf. I
241842.5104 2.5426 -5.5637 3 676.6071537 89502 30389 980 89 881 a-Alanine, conf. I
241842.5104 2.5426 -5.5637 3 676.6071537 89502 303891080 89 981 a-Alanine, conf. I
241856.9293 0.2250 -5.0071 3 225.0470267 89502 303442618 432617 a-Alanine, conf. I
241856.9293 0.2250 -5.0071 3 225.0470267 89502 303442619 432618 a-Alanine, conf. I
241877.3924 2.7062 -5.9903 3 643.8634459 89502 303763937 754036 a-Alanine, conf. I
241877.3924 2.7062 -5.9903 3 643.8634459 89502 303763938 754035 a-Alanine, conf. I
241885.0052 1.1857 -5.5945 3 828.6723495 89502 303825329 825230 a-Alanine, conf. I
241885.0052 1.1857 -5.5945 3 828.6723495 89502 303825330 825231 a-Alanine, conf. I
241904.4641 0.3959 -4.8432 3 191.2628261 89502 303431826 421825 a-Alanine, conf. I
241928.4058 0.1420 -4.3171 3 202.4961285 89502 30347 938 461037 a-Alanine, conf. I
241928.4070 0.1420 -4.7909 3 202.4961285 89502 303471038 461037 a-Alanine, conf. I
241928.4089 0.1420 -4.7909 3 202.4961285 89502 30347 938 46 937 a-Alanine, conf. I
241928.4101 0.1420 -4.3171 3 202.4961285 89502 303471038 46 937 a-Alanine, conf. I
241932.4277 3.9062 -5.2348 3 288.2029321 89502 303532033 522132 a-Alanine, conf. I
241943.3647 0.1391 -4.8085 3 190.4181267 89502 303441431 431430 a-Alanine, conf. I
241981.3468 2.4942 -5.7250 3 531.0485423 89502 303703338 693435 a-Alanine, conf. I
241981.3831 2.4942 -5.7250 3 531.0485423 89502 303703337 693436 a-Alanine, conf. I
242027.0765 2.7507 -6.0365 3 663.8534465 89502 303774037 764136 a-Alanine, conf. I
242027.0765 2.7507 -6.0365 3 663.8534465 89502 303774038 764135 a-Alanine, conf. I
242056.3877 0.2003 -4.6572 3 110.4988201 89502 303331419 321320 a-Alanine, conf. I
242070.4647 2.4952 -5.9673 3 1082.3794585 89502 303975443 975344 a-Alanine, conf. I
242070.4647 2.4952 -5.9673 3 1082.3794585 89502 303975444 975345 a-Alanine, conf. I
242137.4441 1.1188 -5.5762 3 813.7637489 89502 303815328 815229 a-Alanine, conf. I
242137.4441 1.1188 -5.5762 3 813.7637489 89502 303815329 815230 a-Alanine, conf. I
242209.2349 2.7970 -6.0833 3 684.1814471 89502 303784137 774236 a-Alanine, conf. I
242209.2349 2.7970 -6.0833 3 684.1814471 89502 303784138 774235 a-Alanine, conf. I
242211.5020 0.0240 -5.3678 3 93.4943159 89502 3032622 4 2521 4 a-Alanine, conf. I
242211.5020 0.0240 -4.2347 3 93.4943159 89502 3032622 4 2521 5 a-Alanine, conf. I
242211.5020 0.0240 -4.2347 3 93.4943159 89502 3032622 5 2521 4 a-Alanine, conf. I
242211.5020 0.0240 -5.3678 3 93.4943159 89502 3032622 5 2521 5 a-Alanine, conf. I
242212.1441 2.1304 -5.3865 3 373.8371363 89502 303602437 592534 a-Alanine, conf. I
242248.2780 2.4730 -5.6827 3 513.4393417 89502 303693238 683335 a-Alanine, conf. I
242248.4419 2.4731 -5.6827 3 513.4393417 89502 303693237 683336 a-Alanine, conf. I
242258.3567 0.2432 -4.9803 3 221.1739267 89502 303442520 432519 a-Alanine, conf. I
242258.3568 0.2432 -4.9803 3 221.1739267 89502 303442519 432518 a-Alanine, conf. I
242264.2842 2.8839 -5.5708 3 596.7348513 89502 30385 679 85 580 a-Alanine, conf. I
242264.2842 2.8839 -5.5708 3 596.7348513 89502 30385 779 85 680 a-Alanine, conf. I
242271.3403 0.0649 -5.4229 3 71.0126165 89502 303271117 26 818 a-Alanine, conf. I
242293.7720 0.1366 -4.8071 3 190.3946267 89502 303441331 431330 a-Alanine, conf. I
242295.6683 3.2955 -5.7110 3 520.4985489 89502 30381 378 81 279 a-Alanine, conf. I
242295.6683 3.2955 -5.7110 3 520.4985489 89502 30381 478 81 379 a-Alanine, conf. I
242300.6776 0.1654 -5.5468 3 100.9682201 89502 30333 825 32 725 a-Alanine, conf. I
242316.9217 0.1643 -5.5467 3 100.9683201 89502 30333 925 32 825 a-Alanine, conf. I
242368.1293 3.6754 -5.9050 3 997.6092627 89502 303A41985 A41886 a-Alanine, conf. I
242368.1293 3.6754 -5.9050 3 997.6092627 89502 303A42085 A41986 a-Alanine, conf. I
242380.0677 1.0551 -5.5587 3 799.0394483 89502 303805327 805228 a-Alanine, conf. I
242380.0677 1.0551 -5.5587 3 799.0394483 89502 303805328 805229 a-Alanine, conf. I
242385.9228 2.4496 -5.6005 3 736.8345555 89502 303921181 921082 a-Alanine, conf. I
242385.9228 2.4496 -5.6005 3 736.8345555 89502 303921281 921182 a-Alanine, conf. I
242420.0667 2.8450 -6.1306 3 704.8470477 89502 303794237 784336 a-Alanine, conf. I
242420.0667 2.8450 -6.1306 3 704.8470477 89502 303794238 784335 a-Alanine, conf. I
242479.5203 2.3817 -5.9384 3 1064.7092579 89502 303965442 965343 a-Alanine, conf. I
242479.5203 2.3817 -5.9384 3 1064.7092579 89502 303965443 965344 a-Alanine, conf. I
242561.0926 0.2050 -4.7347 3 212.8187315 89502 30352 250 51 249 a-Alanine, conf. I
242561.0926 0.2050 -4.1231 3 212.8187315 89502 30352 250 51 349 a-Alanine, conf. I
242561.0926 0.2050 -4.1231 3 212.8187315 89502 30352 350 51 249 a-Alanine, conf. I
242561.0926 0.2050 -4.7347 3 212.8187315 89502 30352 350 51 349 a-Alanine, conf. I
242575.8216 0.5456 -5.4261 3 121.1331213 89502 303351223 341123 a-Alanine, conf. I
242613.1551 0.9947 -5.5421 3 784.4994477 89502 303795326 795227 a-Alanine, conf. I
242613.1551 0.9947 -5.5421 3 784.4994477 89502 303795327 795228 a-Alanine, conf. I
242624.2262 2.4584 -5.6409 3 496.1735411 89502 303683138 673235 a-Alanine, conf. I
242624.8954 0.4925 -4.8406 3 191.2855261 89502 303431825 421824 a-Alanine, conf. I
242624.9382 2.4589 -5.6409 3 496.1735411 89502 303683137 673236 a-Alanine, conf. I
242648.5948 0.1489 -4.5335 3 190.3946267 89502 303441431 431330 a-Alanine, conf. I
242648.8047 0.2724 -4.8148 3 186.8103261 89502 303431628 421627 a-Alanine, conf. I
242656.3088 2.8945 -6.1786 3 725.8500483 89502 303804337 794436 a-Alanine, conf. I
242656.3088 2.8945 -6.1786 3 725.8500483 89502 303804338 794435 a-Alanine, conf. I
242721.8952 0.2635 -4.9550 3 217.4767267 89502 303442421 432420 a-Alanine, conf. I
242721.8967 0.2635 -4.9550 3 217.4767267 89502 303442420 432419 a-Alanine, conf. I
242722.9020 2.4882 -5.6565 3 799.0644573 89502 303951382 951283 a-Alanine, conf. I
242722.9020 2.4882 -5.6565 3 799.0644573 89502 303951482 951383 a-Alanine, conf. I
242728.2011 3.0972 -5.8109 3 929.4686609 89502 303A11784 A11685 a-Alanine, conf. I
242728.2011 3.0972 -5.8109 3 929.4686609 89502 303A11884 A11785 a-Alanine, conf. I
242753.0644 1.7750 -6.1358 3 323.9248339 89502 303562235 561938 a-Alanine, conf. I
242811.1361 0.1413 -4.4550 3 195.8477273 89502 303451233 441332 a-Alanine, conf. I
242830.0596 0.1411 -4.8040 3 195.8477273 89502 303451333 441332 a-Alanine, conf. I
242836.9779 0.9378 -5.5265 3 770.1435471 89502 303785325 785226 a-Alanine, conf. I
242836.9779 0.9378 -5.5265 3 770.1435471 89502 303785326 785227 a-Alanine, conf. I
242841.4514 2.6990 -5.7275 3 863.2812591 89502 303981583 981484 a-Alanine, conf. I
242841.4514 2.6990 -5.7275 3 863.2812591 89502 303981683 981584 a-Alanine, conf. I
242852.1752 0.1411 -4.8039 3 195.8464273 89502 303451233 441232 a-Alanine, conf. I
242856.1678 0.1757 -5.5497 3 61.4452159 89502 30326 719 25 620 a-Alanine, conf. I
242860.8439 0.3696 -4.8255 3 188.9511261 89502 303431727 421726 a-Alanine, conf. I
242871.0987 0.1411 -4.4547 3 195.8464273 89502 303451333 441232 a-Alanine, conf. I
242874.6189 2.2719 -5.9102 3 1047.2243573 89502 303955441 955342 a-Alanine, conf. I
242874.6189 2.2719 -5.9102 3 1047.2243573 89502 303955442 955343 a-Alanine, conf. I
242906.8595 4.8863 -6.0776 3 1112.7475657 89502 303A92287 A92188 a-Alanine, conf. I
242906.8595 4.8863 -6.0776 3 1112.7475657 89502 303A92387 A92288 a-Alanine, conf. I
242913.5611 0.1419 -4.7600 3 210.8044303 89502 30350 545 49 544 a-Alanine, conf. I
242913.5611 0.1419 -4.1932 3 210.8044303 89502 30350 545 49 644 a-Alanine, conf. I
242913.5611 0.1419 -4.1932 3 210.8044303 89502 30350 645 49 544 a-Alanine, conf. I
242913.5611 0.1419 -4.7600 3 210.8044303 89502 30350 645 49 644 a-Alanine, conf. I
242925.4301 0.0240 -5.3768 3 95.0390165 89502 3032721 6 2620 6 a-Alanine, conf. I
242925.4301 0.0240 -4.2628 3 95.0390165 89502 3032721 6 2620 7 a-Alanine, conf. I
242925.4301 0.0240 -4.2628 3 95.0390165 89502 3032721 7 2620 6 a-Alanine, conf. I
242925.4301 0.0240 -5.3768 3 95.0390165 89502 3032721 7 2620 7 a-Alanine, conf. I
242943.6935 1.7476 -5.3637 3 359.5610357 89502 303592337 582434 a-Alanine, conf. I
242947.2916 0.4117 -4.6328 3 192.7371267 89502 303441430 431529 a-Alanine, conf. I
243051.8010 0.8846 -5.5118 3 755.9717465 89502 303775324 775225 a-Alanine, conf. I
243051.8010 0.8846 -5.5118 3 755.9717465 89502 303775325 775226 a-Alanine, conf. I
243073.9976 0.0777 -5.4030 3 123.5951213 89502 303351421 341321 a-Alanine, conf. I
243092.4081 2.6802 -5.5636 3 654.2596531 89502 30388 880 88 781 a-Alanine, conf. I
243092.4081 2.6802 -5.5636 3 654.2596531 89502 30388 980 88 881 a-Alanine, conf. I
243107.9970 1.8717 -4.8930 3 213.8294279 89502 303461630 451729 a-Alanine, conf. I
243132.3435 2.4519 -5.5996 3 479.2522405 89502 303673038 663135 a-Alanine, conf. I
243135.3169 2.4538 -5.5996 3 479.2522405 89502 303673037 663136 a-Alanine, conf. I
243246.1213 0.5575 -5.2644 3 81.2059177 89502 303291019 28 920 a-Alanine, conf. I
243256.1544 2.1658 -5.8826 3 1029.9245567 89502 303945440 945341 a-Alanine, conf. I
243256.1544 2.1658 -5.8826 3 1029.9245567 89502 303945441 945342 a-Alanine, conf. I
243257.8830 0.8353 -5.4983 3 741.9839459 89502 303765323 765224 a-Alanine, conf. I
243257.8830 0.8353 -5.4983 3 741.9839459 89502 303765324 765225 a-Alanine, conf. I
243263.2649 0.2862 -4.9310 3 213.9593267 89502 303442322 432321 a-Alanine, conf. I
243263.2866 0.2862 -4.9310 3 213.9593267 89502 303442321 432320 a-Alanine, conf. I
243271.3939 0.1429 -4.7817 3 206.9053291 89502 30348 840 47 839 a-Alanine, conf. I
243271.3939 0.1429 -4.2784 3 206.9053291 89502 30348 840 47 939 a-Alanine, conf. I
243271.3939 0.1429 -4.2784 3 206.9053291 89502 30348 940 47 839 a-Alanine, conf. I
243271.3939 0.1429 -4.7817 3 206.9053291 89502 30348 940 47 939 a-Alanine, conf. I
243300.7427 3.4806 -5.8400 3 499.9706483 89502 30380 278 80 179 a-Alanine, conf. I
243300.7427 3.4806 -5.8400 3 499.9706483 89502 30380 378 80 279 a-Alanine, conf. I
243322.8930 0.1618 -5.5486 3 61.4450159 89502 30326 819 25 520 a-Alanine, conf. I
243370.9029 0.6624 -4.8029 3 179.2447255 89502 303421626 411625 a-Alanine, conf. I
243386.0146 3.0599 -5.6008 3 575.2901507 89502 30384 579 84 480 a-Alanine, conf. I
243386.0146 3.0599 -5.6008 3 575.2901507 89502 30384 679 84 580 a-Alanine, conf. I
243397.4841 0.2037 -5.4293 3 114.9669207 89502 303341322 331222 a-Alanine, conf. I
243455.4761 0.7902 -5.4858 3 728.1800453 89502 303755322 755223 a-Alanine, conf. I
243455.4761 0.7902 -5.4858 3 728.1800453 89502 303755323 755224 a-Alanine, conf. I
243610.3832 0.0271 -5.3850 3 96.9445171 89502 3032820 8 2719 8 a-Alanine, conf. I
243610.3832 0.0271 -4.2935 3 96.9445171 89502 3032820 8 2719 9 a-Alanine, conf. I
243610.3832 0.0271 -4.2935 3 96.9445171 89502 3032820 9 2719 8 a-Alanine, conf. I
243610.3832 0.0271 -5.3850 3 96.9445171 89502 3032820 9 2719 9 a-Alanine, conf. I
243624.5075 2.0632 -5.8557 3 1012.8099561 89502 303935439 935340 a-Alanine, conf. I
243624.5075 2.0632 -5.8557 3 1012.8099561 89502 303935440 935341 a-Alanine, conf. I
243644.8266 0.7494 -5.4746 3 714.5600447 89502 303745321 745222 a-Alanine, conf. I
243644.8266 0.7494 -5.4746 3 714.5600447 89502 303745322 745223 a-Alanine, conf. I
243669.2608 4.0621 -5.9688 3 1041.3845639 89502 303A62086 A61987 a-Alanine, conf. I
243669.2608 4.0621 -5.9688 3 1041.3845639 89502 303A62186 A62087 a-Alanine, conf. I
243730.4511 2.5361 -5.5890 3 713.8087549 89502 303911081 91 982 a-Alanine, conf. I
243730.4511 2.5361 -5.5890 3 713.8087549 89502 303911181 911082 a-Alanine, conf. I
243749.6097 0.1600 -4.7999 3 184.4629261 89502 303431429 421428 a-Alanine, conf. I
243802.0599 2.4551 -5.5588 3 462.6769399 89502 303662938 653035 a-Alanine, conf. I
243813.9610 2.4620 -5.5588 3 462.6769399 89502 303662937 653036 a-Alanine, conf. I
243826.1750 0.7134 -5.4645 3 701.1237441 89502 303735320 735221 a-Alanine, conf. I
243826.1750 0.7134 -5.4645 3 701.1237441 89502 303735321 735222 a-Alanine, conf. I
243901.5353 0.1449 -4.3944 3 200.9970279 89502 303461135 451234 a-Alanine, conf. I
243902.2638 0.1449 -4.7978 3 200.9970279 89502 303461235 451234 a-Alanine, conf. I
243903.2218 0.1449 -4.7978 3 200.9969279 89502 303461135 451134 a-Alanine, conf. I
243903.9503 0.1449 -4.3944 3 200.9969279 89502 303461235 451134 a-Alanine, conf. I
243904.7509 0.3121 -4.9081 3 210.6270267 89502 303442223 432222 a-Alanine, conf. I
243905.0355 0.3121 -4.9081 3 210.6270267 89502 303442222 432221 a-Alanine, conf. I
243923.1615 0.2559 -4.7232 3 215.7591321 89502 30353 152 52 151 a-Alanine, conf. I
243923.1615 0.2559 -4.0992 3 215.7591321 89502 30353 152 52 251 a-Alanine, conf. I
243923.1615 0.2559 -4.0992 3 215.7591321 89502 30353 252 52 151 a-Alanine, conf. I
243923.1615 0.2559 -4.7232 3 215.7591321 89502 30353 252 52 251 a-Alanine, conf. I
243939.5852 0.2579 -5.4483 3 113.1662207 89502 303341223 331123 a-Alanine, conf. I
243944.0871 0.1327 -5.5868 3 98.5891201 89502 30333 726 32 626 a-Alanine, conf. I
243945.3320 0.1326 -5.5868 3 98.5891201 89502 30333 826 32 726 a-Alanine, conf. I
243980.0467 1.9640 -5.8294 3 995.8803555 89502 303925438 925339 a-Alanine, conf. I
243980.0467 1.9640 -5.8294 3 995.8803555 89502 303925439 925340 a-Alanine, conf. I
243997.3794 5.3951 -6.1494 3 1158.6504669 89502 303B12388 B12289 a-Alanine, conf. I
243997.3794 5.3951 -6.1494 3 1158.6504669 89502 303B12488 B12389 a-Alanine, conf. I
243999.7566 0.6824 -5.4558 3 687.8710435 89502 303725319 725220 a-Alanine, conf. I
243999.7566 0.6824 -5.4558 3 687.8710435 89502 303725320 725221 a-Alanine, conf. I
244101.2147 0.2929 -6.1098 3 95.0791189 89502 303311219 301020 a-Alanine, conf. I
244141.3803 2.6324 -6.1631 3 310.6253333 89502 303552135 551838 a-Alanine, conf. I
244142.4856 0.0545 -4.5544 3 112.3549201 89502 303331519 321418 a-Alanine, conf. I
244159.6590 3.3999 -5.8691 3 971.9467621 89502 303A31885 A31786 a-Alanine, conf. I
244159.6590 3.3999 -5.8691 3 971.9467621 89502 303A31985 A31886 a-Alanine, conf. I
244165.8012 0.6566 -5.4486 3 674.8019429 89502 303715318 715219 a-Alanine, conf. I
244165.8012 0.6566 -5.4486 3 674.8019429 89502 303715319 715220 a-Alanine, conf. I
244168.1468 2.4977 -5.6368 3 775.3677567 89502 303941282 941183 a-Alanine, conf. I
244168.1468 2.4977 -5.6368 3 775.3677567 89502 303941382 941283 a-Alanine, conf. I
244244.7420 0.0314 -4.3276 3 99.2186177 89502 303291911 281810 a-Alanine, conf. I
244244.7421 0.0314 -5.3923 3 99.2186177 89502 303291910 281810 a-Alanine, conf. I
244244.7423 0.0314 -4.3276 3 99.2186177 89502 303291910 281811 a-Alanine, conf. I
244244.7423 0.0314 -5.3923 3 99.2186177 89502 303291911 281811 a-Alanine, conf. I
244271.9532 3.6669 -6.0944 3 479.6659477 89502 30379 178 79 079 a-Alanine, conf. I
244271.9532 3.6669 -6.0944 3 479.6659477 89502 30379 278 79 179 a-Alanine, conf. I
244300.4286 2.8370 -5.5709 3 632.1264525 89502 30387 780 87 681 a-Alanine, conf. I
244300.4286 2.8370 -5.5709 3 632.1264525 89502 30387 880 87 781 a-Alanine, conf. I
244301.3719 0.1549 -4.7492 3 214.3650309 89502 30351 447 50 446 a-Alanine, conf. I
244301.3719 0.1549 -4.1655 3 214.3650309 89502 30351 447 50 546 a-Alanine, conf. I
244301.3719 0.1549 -4.1655 3 214.3650309 89502 30351 547 50 446 a-Alanine, conf. I
244301.3719 0.1549 -4.7492 3 214.3650309 89502 30351 547 50 546 a-Alanine, conf. I
244323.1284 1.8681 -5.8038 3 979.1356549 89502 303915437 915338 a-Alanine, conf. I
244323.1284 1.8681 -5.8038 3 979.1356549 89502 303915438 915339 a-Alanine, conf. I
244324.5336 0.6363 -5.4429 3 661.9164423 89502 303705317 705218 a-Alanine, conf. I
244324.5336 0.6363 -5.4429 3 661.9164423 89502 303705318 705219 a-Alanine, conf. I
244369.3692 4.0420 -5.2704 3 311.1038333 89502 303552134 542233 a-Alanine, conf. I
244394.1883 2.6133 -5.7013 3 838.9211585 89502 303971483 971384 a-Alanine, conf. I
244394.1883 2.6133 -5.7013 3 838.9211585 89502 303971583 971484 a-Alanine, conf. I
244396.0330 2.9128 -5.7795 3 904.4531603 89502 303A01684 A01585 a-Alanine, conf. I
244396.0330 2.9128 -5.7795 3 904.4531603 89502 303A01784 A01685 a-Alanine, conf. I
244404.8860 0.0474 -5.4140 3 112.3549201 89502 303331518 321418 a-Alanine, conf. I
244470.1766 3.2428 -5.6491 3 554.0643501 89502 30383 479 83 380 a-Alanine, conf. I
244470.1766 3.2428 -5.6491 3 554.0643501 89502 30383 579 83 480 a-Alanine, conf. I
244473.6027 0.3111 -6.0689 3 324.1494273 89502 3034543 2 4443 1 a-Alanine, conf. I
244473.6027 0.3111 -6.0689 3 324.1494273 89502 3034543 3 4443 2 a-Alanine, conf. I
244476.1739 0.6217 -5.4388 3 649.2142417 89502 303695316 695217 a-Alanine, conf. I
244476.1739 0.6217 -5.4388 3 649.2142417 89502 303695317 695218 a-Alanine, conf. I
244550.7199 0.2878 -5.8837 3 317.5048273 89502 3034542 3 4442 2 a-Alanine, conf. I
244550.7199 0.2878 -5.8837 3 317.5048273 89502 3034542 4 4442 3 a-Alanine, conf. I
244620.9372 0.6126 -5.4367 3 636.6955411 89502 303685315 685216 a-Alanine, conf. I
244620.9372 0.6126 -5.4367 3 636.6955411 89502 303685316 685217 a-Alanine, conf. I
244634.5205 0.2659 -5.7499 3 311.0191273 89502 3034541 4 4441 3 a-Alanine, conf. I
244634.5205 0.2659 -5.7499 3 311.0191273 89502 3034541 5 4441 4 a-Alanine, conf. I
244642.2904 0.1432 -4.7721 3 211.1063297 89502 30349 742 48 741 a-Alanine, conf. I
244642.2904 0.1432 -4.2438 3 211.1063297 89502 30349 742 48 841 a-Alanine, conf. I
244642.2904 0.1432 -4.2438 3 211.1063297 89502 30349 842 48 741 a-Alanine, conf. I
244642.2904 0.1432 -4.7721 3 211.1063297 89502 30349 842 48 841 a-Alanine, conf. I
244654.0981 1.7755 -5.7789 3 962.5758543 89502 303905436 905337 a-Alanine, conf. I
244654.0981 1.7755 -5.7789 3 962.5758543 89502 303905437 905338 a-Alanine, conf. I
244668.6933 2.4681 -5.5186 3 446.4495393 89502 303652838 642935 a-Alanine, conf. I
244678.9141 0.3422 -4.8861 3 207.4869267 89502 303442124 432123 a-Alanine, conf. I
244682.1037 0.3428 -4.8861 3 207.4869267 89502 303442123 432122 a-Alanine, conf. I
244714.1566 2.4922 -5.5185 3 446.4494393 89502 303652837 642936 a-Alanine, conf. I
244725.6791 0.2455 -5.6446 3 304.6925273 89502 3034540 5 4440 4 a-Alanine, conf. I
244725.6791 0.2455 -5.6446 3 304.6925273 89502 3034540 6 4440 5 a-Alanine, conf. I
244759.0344 0.6090 -5.4365 3 624.3600405 89502 303675314 675215 a-Alanine, conf. I
244759.0344 0.6090 -5.4365 3 624.3600405 89502 303675315 675216 a-Alanine, conf. I
244780.8998 0.0904 -5.8396 3 53.2800153 89502 30325 520 24 421 a-Alanine, conf. I
244788.1606 0.0902 -5.8396 3 53.2800153 89502 30325 620 24 321 a-Alanine, conf. I
244791.4056 0.0361 -4.3666 3 101.8725183 89502 303301813 291712 a-Alanine, conf. I
244791.4095 0.0361 -5.3987 3 101.8725183 89502 303301812 291712 a-Alanine, conf. I
244791.4286 0.0361 -5.3987 3 101.8725183 89502 303301813 291713 a-Alanine, conf. I
244791.4326 0.0361 -4.3666 3 101.8725183 89502 303301812 291713 a-Alanine, conf. I
244798.3504 3.1707 -6.1587 3 1200.2800621 89502 303A35548 A35449 a-Alanine, conf. I
244798.3504 3.1707 -6.1587 3 1200.2800621 89502 303A35549 A35450 a-Alanine, conf. I
244824.9632 0.2270 -5.5574 3 298.5254273 89502 3034539 6 4439 5 a-Alanine, conf. I
244824.9632 0.2270 -5.5574 3 298.5254273 89502 3034539 7 4439 6 a-Alanine, conf. I
244890.6719 0.6107 -5.4386 3 612.2077399 89502 303665313 665214 a-Alanine, conf. I
244890.6719 0.6107 -5.4386 3 612.2077399 89502 303665314 665215 a-Alanine, conf. I
244902.3066 4.4904 -6.0357 3 1086.0051651 89502 303A82187 A82088 a-Alanine, conf. I
244902.3066 4.4904 -6.0357 3 1086.0051651 89502 303A82287 A82188 a-Alanine, conf. I
244933.2497 0.2107 -5.4827 3 292.5182273 89502 3034538 7 4438 6 a-Alanine, conf. I
244933.2497 0.2107 -5.4827 3 292.5182273 89502 3034538 8 4438 7 a-Alanine, conf. I
244973.2907 1.6860 -5.7548 3 946.2007537 89502 303895435 895336 a-Alanine, conf. I
244973.2907 1.6860 -5.7548 3 946.2007537 89502 303895436 895337 a-Alanine, conf. I
244999.4672 0.3163 -4.7842 3 177.8278255 89502 303421527 411526 a-Alanine, conf. I
245016.0518 0.6172 -5.4433 3 600.2385393 89502 303655312 655213 a-Alanine, conf. I
245016.0518 0.6172 -5.4433 3 600.2385393 89502 303655313 655214 a-Alanine, conf. I
245029.9671 2.6543 -5.5825 3 690.9940543 89502 30390 981 90 882 a-Alanine, conf. I
245029.9671 2.6543 -5.5825 3 690.9940543 89502 303901081 90 982 a-Alanine, conf. I
245048.9315 3.0803 -5.3746 3 373.8302363 89502 303602436 592535 a-Alanine, conf. I
245051.5453 0.1968 -5.4174 3 286.6711273 89502 3034537 8 4437 7 a-Alanine, conf. I
245051.5453 0.1968 -5.4174 3 286.6711273 89502 3034537 9 4437 8 a-Alanine, conf. I
245068.6283 0.0562 -5.4120 3 112.3240201 89502 303331519 321419 a-Alanine, conf. I
245121.5881 0.1480 -4.3450 3 205.8960285 89502 303471037 461136 a-Alanine, conf. I
245121.6092 0.1480 -4.7903 3 205.8960285 89502 303471137 461136 a-Alanine, conf. I
245121.6397 0.1480 -4.7903 3 205.8960285 89502 303471037 461036 a-Alanine, conf. I
245121.6609 0.1480 -4.3450 3 205.8960285 89502 303471137 461036 a-Alanine, conf. I
245135.3721 0.6282 -5.4508 3 588.4524387 89502 303645311 645212 a-Alanine, conf. I
245135.3721 0.6282 -5.4508 3 588.4524387 89502 303645312 645213 a-Alanine, conf. I
245181.0107 0.1858 -5.3593 3 280.9847273 89502 3034536 9 4436 8 a-Alanine, conf. I
245181.0107 0.1858 -5.3593 3 280.9847273 89502 303453610 4436 9 a-Alanine, conf. I
245182.0319 0.0411 -4.4128 3 104.9226189 89502 303311715 301614 a-Alanine, conf. I
245182.2861 0.0411 -5.4042 3 104.9226189 89502 303311714 301614 a-Alanine, conf. I
245183.3191 0.0412 -5.4042 3 104.9226189 89502 303311715 301615 a-Alanine, conf. I
245183.5733 0.0412 -4.4128 3 104.9226189 89502 303311714 301615 a-Alanine, conf. I
245248.8270 0.6430 -5.4617 3 576.8493381 89502 303635310 635211 a-Alanine, conf. I
245248.8270 0.6430 -5.4617 3 576.8493381 89502 303635311 635212 a-Alanine, conf. I
245253.8120 0.0455 -4.4711 3 108.3961195 89502 303321617 311516 a-Alanine, conf. I
245264.1497 0.0457 -5.4088 3 108.3961195 89502 303321616 311516 a-Alanine, conf. I
245265.4015 3.0355 -6.1265 3 1181.5126615 89502 303A25547 A25448 a-Alanine, conf. I
245265.4015 3.0355 -6.1265 3 1181.5126615 89502 303A25548 A25449 a-Alanine, conf. I
245270.3896 0.3207 -4.7116 3 218.5093327 89502 30354 054 53 053 a-Alanine, conf. I
245270.3896 0.3207 -4.0765 3 218.5093327 89502 30354 054 53 153 a-Alanine, conf. I
245270.3896 0.3207 -4.0765 3 218.5093327 89502 30354 154 53 053 a-Alanine, conf. I
245270.3896 0.3207 -4.7116 3 218.5093327 89502 30354 154 53 153 a-Alanine, conf. I
245281.0313 1.5996 -5.7313 3 930.0102531 89502 303885434 885335 a-Alanine, conf. I
245281.0313 1.5996 -5.7313 3 930.0102531 89502 303885435 885336 a-Alanine, conf. I
245298.4486 0.0465 -5.4087 3 108.3946195 89502 303321617 311517 a-Alanine, conf. I
245308.7863 0.0469 -4.4709 3 108.3946195 89502 303321616 311517 a-Alanine, conf. I
245311.2498 0.7845 -6.1415 3 326.6991339 89502 303562334 562037 a-Alanine, conf. I
245315.4223 0.1108 -5.6366 3 96.0575201 89502 30333 627 32 527 a-Alanine, conf. I
245315.4964 0.1108 -5.6366 3 96.0575201 89502 30333 727 32 627 a-Alanine, conf. I
245322.9921 0.1780 -5.3069 3 275.4594273 89502 303453510 4435 9 a-Alanine, conf. I
245322.9921 0.1780 -5.3069 3 275.4594273 89502 303453511 443510 a-Alanine, conf. I
245331.0288 0.0697 -4.5513 3 112.3240201 89502 303331518 321419 a-Alanine, conf. I
245342.5963 0.1631 -4.8032 3 192.7371267 89502 303441530 431529 a-Alanine, conf. I
245344.8725 0.4778 -5.3909 3 129.2245219 89502 303361323 351223 a-Alanine, conf. I
245356.6068 0.6612 -5.4766 3 565.4291375 89502 3036253 9 625210 a-Alanine, conf. I
245356.6068 0.6612 -5.4766 3 565.4291375 89502 303625310 625211 a-Alanine, conf. I
245362.7669 0.2887 -5.4724 3 111.1945207 89502 303341024 33 924 a-Alanine, conf. I
245458.8978 0.6823 -5.4961 3 554.1918369 89502 3036153 8 6152 9 a-Alanine, conf. I
245458.8978 0.6823 -5.4961 3 554.1918369 89502 3036153 9 615210 a-Alanine, conf. I
245468.2066 3.0079 -5.5876 3 610.2092519 89502 30386 680 86 581 a-Alanine, conf. I
245468.2066 3.0079 -5.5876 3 610.2092519 89502 30386 780 86 681 a-Alanine, conf. I
245479.0596 0.1737 -5.2593 3 270.0958273 89502 303453411 443410 a-Alanine, conf. I
245479.0596 0.1737 -5.2593 3 270.0958273 89502 303453412 443411 a-Alanine, conf. I
245518.1580 3.4300 -5.7259 3 533.0588495 89502 30382 379 82 280 a-Alanine, conf. I
245518.1580 3.4300 -5.7259 3 533.0588495 89502 30382 479 82 380 a-Alanine, conf. I
245526.6061 3.7453 -5.9307 3 1015.2753633 89502 303A51986 A51887 a-Alanine, conf. I
245526.6061 3.7453 -5.9307 3 1015.2753633 89502 303A52086 A51987 a-Alanine, conf. I
245555.8830 0.7057 -5.5213 3 543.1372363 89502 3036053 7 6052 8 a-Alanine, conf. I
245555.8830 0.7057 -5.5213 3 543.1372363 89502 3036053 8 6052 9 a-Alanine, conf. I
245564.8873 2.5522 -5.6206 3 751.8784561 89502 303931182 931083 a-Alanine, conf. I
245564.8873 2.5522 -5.6206 3 751.8784561 89502 303931282 931183 a-Alanine, conf. I
245577.6355 1.5163 -5.7086 3 914.0044525 89502 303875433 875334 a-Alanine, conf. I
245577.6355 1.5163 -5.7086 3 914.0044525 89502 303875434 875335 a-Alanine, conf. I
245622.0760 0.1174 -5.4126 3 116.6992207 89502 303341421 331321 a-Alanine, conf. I
245630.4846 0.3776 -4.8648 3 204.5489267 89502 303442025 432024 a-Alanine, conf. I
245647.7417 0.7311 -5.5536 3 532.2653357 89502 3035953 6 5952 7 a-Alanine, conf. I
245647.7417 0.7311 -5.5536 3 532.2653357 89502 3035953 7 5952 8 a-Alanine, conf. I
245651.0569 0.1730 -5.2156 3 264.8945273 89502 303453312 443311 a-Alanine, conf. I
245651.0569 0.1730 -5.2156 3 264.8945273 89502 303453313 443312 a-Alanine, conf. I
245660.4974 0.3829 -4.8647 3 204.5496267 89502 303442024 432023 a-Alanine, conf. I
245663.9093 0.2625 -5.4413 3 67.8334165 89502 30327 819 26 720 a-Alanine, conf. I
245682.5042 0.1798 -4.7383 3 217.7330315 89502 30352 349 51 348 a-Alanine, conf. I
245682.5042 0.1798 -4.1395 3 217.7330315 89502 30352 349 51 448 a-Alanine, conf. I
245682.5042 0.1798 -4.1395 3 217.7330315 89502 30352 449 51 348 a-Alanine, conf. I
245682.5042 0.1798 -4.7383 3 217.7330315 89502 30352 449 51 448 a-Alanine, conf. I
245711.9250 1.0840 -6.1574 3 316.1702333 89502 303552333 552036 a-Alanine, conf. I
245717.1874 2.9048 -6.0948 3 1162.9305609 89502 303A15546 A15447 a-Alanine, conf. I
245717.1874 2.9048 -6.0948 3 1162.9305609 89502 303A15547 A15448 a-Alanine, conf. I
245734.6497 0.7581 -5.5952 3 521.5761351 89502 3035853 5 5852 6 a-Alanine, conf. I
245734.6497 0.7581 -5.5952 3 521.5761351 89502 3035853 6 5852 7 a-Alanine, conf. I
245766.1206 2.4856 -5.4791 3 430.5724387 89502 303642738 632835 a-Alanine, conf. I
245816.7794 0.7863 -5.6494 3 511.0694345 89502 3035753 4 5752 5 a-Alanine, conf. I
245816.7794 0.7863 -5.6494 3 511.0694345 89502 3035753 5 5752 6 a-Alanine, conf. I
245823.1780 4.7397 -5.6515 3 391.1536375 89502 303622241 612338 a-Alanine, conf. I
245841.1647 0.1759 -5.1753 3 259.8563273 89502 303453213 443212 a-Alanine, conf. I
245841.1647 0.1759 -5.1753 3 259.8563273 89502 303453214 443213 a-Alanine, conf. I
245851.1654 0.9835 -4.7343 3 203.1716273 89502 303451530 441629 a-Alanine, conf. I
245863.4098 1.4361 -5.6866 3 898.1830519 89502 303865432 865333 a-Alanine, conf. I
245863.4098 1.4361 -5.6866 3 898.1830519 89502 303865433 865334 a-Alanine, conf. I
245889.2911 3.1706 -5.8352 3 946.4800615 89502 303A21785 A21686 a-Alanine, conf. I
245889.2911 3.1706 -5.8352 3 946.4800615 89502 303A21885 A21786 a-Alanine, conf. I
245894.3000 0.8155 -5.7215 3 500.7453339 89502 3035653 3 5652 4 a-Alanine, conf. I
245894.3000 0.8155 -5.7215 3 500.7453339 89502 3035653 4 5652 5 a-Alanine, conf. I
245894.5039 2.5802 -5.6780 3 814.7647579 89502 303961383 961284 a-Alanine, conf. I
245894.5039 2.5802 -5.6780 3 814.7647579 89502 303961483 961384 a-Alanine, conf. I
245931.0048 2.5649 -5.4785 3 430.5721387 89502 303642737 632836 a-Alanine, conf. I
245967.3773 0.8454 -5.8220 3 490.6036333 89502 3035553 2 5552 3 a-Alanine, conf. I
245967.3773 0.8454 -5.8220 3 490.6036333 89502 3035553 3 5552 4 a-Alanine, conf. I
245989.4104 0.2491 -5.4704 3 111.2014207 89502 303341124 331024 a-Alanine, conf. I
246007.0154 2.7803 -5.7504 3 879.6374597 89502 303991584 991485 a-Alanine, conf. I
246007.0154 2.7803 -5.7504 3 879.6374597 89502 303991684 991585 a-Alanine, conf. I
246026.4334 0.1447 -4.7621 3 215.1055303 89502 30350 644 49 643 a-Alanine, conf. I
246026.4334 0.1447 -4.2124 3 215.1055303 89502 30350 644 49 743 a-Alanine, conf. I
246026.4334 0.1447 -4.2124 3 215.1055303 89502 30350 744 49 643 a-Alanine, conf. I
246026.4334 0.1447 -4.7621 3 215.1055303 89502 30350 744 49 743 a-Alanine, conf. I
246036.1740 0.8758 -5.9739 3 480.6442327 89502 3035453 1 5452 2 a-Alanine, conf. I
246036.1740 0.8758 -5.9739 3 480.6442327 89502 3035453 2 5452 3 a-Alanine, conf. I
246051.9839 0.1821 -5.1379 3 254.9821273 89502 303453114 443113 a-Alanine, conf. I
246051.9839 0.1821 -5.1379 3 254.9821273 89502 303453115 443114 a-Alanine, conf. I
246065.4271 4.9604 -6.1055 3 1131.4685663 89502 303B02288 B02189 a-Alanine, conf. I
246065.4271 4.9604 -6.1055 3 1131.4685663 89502 303B02388 B02289 a-Alanine, conf. I
246074.3314 0.4001 -5.3537 3 74.4221171 89502 30328 919 27 820 a-Alanine, conf. I
246138.6523 1.3590 -5.6654 3 882.5460513 89502 303855431 855332 a-Alanine, conf. I
246138.6523 1.3590 -5.6654 3 882.5460513 89502 303855432 855333 a-Alanine, conf. I
246151.4429 0.6938 -4.8125 3 189.0890261 89502 303431726 421725 a-Alanine, conf. I
246154.1389 2.7785 -6.0638 3 1144.5337603 89502 303A05545 A05446 a-Alanine, conf. I
246154.1389 2.7785 -6.0638 3 1144.5337603 89502 303A05546 A05447 a-Alanine, conf. I
246172.7648 0.1527 -4.5072 3 198.4884273 89502 303451332 441431 a-Alanine, conf. I
246173.9775 0.0362 -5.3342 3 95.8212153 89502 3032524 1 2423 1 a-Alanine, conf. I
246173.9775 0.0362 -4.1768 3 95.8212153 89502 3032524 1 2423 2 a-Alanine, conf. I
246173.9775 0.0362 -4.1768 3 95.8212153 89502 3032524 2 2423 1 a-Alanine, conf. I
246173.9775 0.0362 -5.3342 3 95.8212153 89502 3032524 2 2423 2 a-Alanine, conf. I
246264.1343 0.5959 -5.3938 3 356.6678357 89502 303592238 582335 a-Alanine, conf. I
246286.2937 2.7975 -5.5818 3 668.3918537 89502 30389 881 89 782 a-Alanine, conf. I
246286.2937 2.7975 -5.5818 3 668.3918537 89502 30389 981 89 882 a-Alanine, conf. I
246286.6459 0.1913 -5.1030 3 250.2728273 89502 303453015 443014 a-Alanine, conf. I
246286.6459 0.1913 -5.1030 3 250.2728273 89502 303453016 443015 a-Alanine, conf. I
246347.1173 0.1462 -4.7994 3 198.4884273 89502 303451432 441431 a-Alanine, conf. I
246350.5964 0.8661 -6.1329 3 337.3869345 89502 303572335 572038 a-Alanine, conf. I
246403.6532 1.2850 -5.6450 3 867.0933507 89502 303845430 845331 a-Alanine, conf. I
246403.6532 1.2850 -5.6450 3 867.0933507 89502 303845431 845332 a-Alanine, conf. I
246423.8098 0.1499 -4.3029 3 210.5659291 89502 30348 939 471038 a-Alanine, conf. I
246423.8103 0.1499 -4.7820 3 210.5659291 89502 303481039 471038 a-Alanine, conf. I
246423.8110 0.1499 -4.7820 3 210.5659291 89502 30348 939 47 938 a-Alanine, conf. I
246423.8115 0.1499 -4.3029 3 210.5659291 89502 303481039 47 938 a-Alanine, conf. I
246470.9804 0.5840 -4.8408 3 108.7965201 89502 303331320 321221 a-Alanine, conf. I
246492.9265 0.1027 -5.6991 3 93.3816201 89502 30333 528 32 428 a-Alanine, conf. I
246492.9299 0.1027 -5.6991 3 93.3816201 89502 30333 628 32 528 a-Alanine, conf. I
246527.5876 0.1448 -4.7987 3 198.4766273 89502 303451332 441331 a-Alanine, conf. I
246531.2677 3.6196 -5.8544 3 512.2751489 89502 30381 279 81 180 a-Alanine, conf. I
246531.2677 3.6196 -5.8544 3 512.2751489 89502 30381 379 81 280 a-Alanine, conf. I
246548.9622 0.2031 -5.0704 3 245.7298273 89502 303452916 442915 a-Alanine, conf. I
246548.9622 0.2031 -5.0704 3 245.7298273 89502 303452917 442916 a-Alanine, conf. I
246576.6711 2.6562 -6.0334 3 1126.3221597 89502 303995544 995445 a-Alanine, conf. I
246576.6711 2.6562 -6.0334 3 1126.3221597 89502 303995545 995446 a-Alanine, conf. I
246597.2755 3.1887 -5.6171 3 588.5092513 89502 30385 580 85 481 a-Alanine, conf. I
246597.2755 3.1887 -5.6171 3 588.5092513 89502 30385 680 85 581 a-Alanine, conf. I
246658.6947 1.2141 -5.6254 3 851.8249501 89502 303835429 835330 a-Alanine, conf. I
246658.6947 1.2141 -5.6254 3 851.8249501 89502 303835430 835331 a-Alanine, conf. I
246701.9400 0.1474 -4.5051 3 198.4766273 89502 303451432 441331 a-Alanine, conf. I
246788.9516 0.4139 -4.8440 3 201.8265267 89502 303441926 431925 a-Alanine, conf. I
246820.9287 0.0742 -5.3823 3 130.3999219 89502 303361422 351322 a-Alanine, conf. I
246827.4021 4.1331 -5.9954 3 1059.4516645 89502 303A72087 A71988 a-Alanine, conf. I
246827.4021 4.1331 -5.9954 3 1059.4516645 89502 303A72187 A72088 a-Alanine, conf. I
246843.6305 0.2173 -5.0399 3 241.3544273 89502 303452817 442816 a-Alanine, conf. I
246843.6305 0.2173 -5.0399 3 241.3544273 89502 303452818 442817 a-Alanine, conf. I
246904.0519 1.1466 -5.6067 3 836.7407495 89502 303825428 825329 a-Alanine, conf. I
246904.0519 1.1466 -5.6067 3 836.7407495 89502 303825429 825330 a-Alanine, conf. I
246908.4930 0.0278 -5.3442 3 96.8469159 89502 3032623 3 2522 3 a-Alanine, conf. I
246908.4930 0.0278 -4.2018 3 96.8469159 89502 3032623 3 2522 4 a-Alanine, conf. I
246908.4930 0.0278 -4.2018 3 96.8469159 89502 3032623 4 2522 3 a-Alanine, conf. I
246908.4930 0.0278 -5.3442 3 96.8469159 89502 3032623 4 2522 4 a-Alanine, conf. I
246915.1701 2.6452 -5.6087 3 728.5983555 89502 303921082 92 983 a-Alanine, conf. I
246915.1701 2.6452 -5.6087 3 728.5983555 89502 303921182 921083 a-Alanine, conf. I
246985.1848 2.5380 -6.0036 3 1108.2956591 89502 303985543 985444 a-Alanine, conf. I
246985.1848 2.5380 -6.0036 3 1108.2956591 89502 303985544 985445 a-Alanine, conf. I
247019.2440 0.4503 -4.8432 3 201.8330267 89502 303441925 431924 a-Alanine, conf. I
247053.3490 0.2186 -4.7273 3 220.9096321 89502 30353 251 52 250 a-Alanine, conf. I
247053.3490 0.2186 -4.1151 3 220.9096321 89502 30353 251 52 350 a-Alanine, conf. I
247053.3490 0.2186 -4.1151 3 220.9096321 89502 30353 351 52 250 a-Alanine, conf. I
247053.3490 0.2186 -4.7273 3 220.9096321 89502 30353 351 52 350 a-Alanine, conf. I
247097.7954 2.4859 -5.4408 3 415.0489381 89502 303632638 622735 a-Alanine, conf. I
247139.9928 1.0823 -5.5889 3 821.8405489 89502 303815427 815328 a-Alanine, conf. I
247139.9928 1.0823 -5.5889 3 821.8405489 89502 303815428 815329 a-Alanine, conf. I
247176.5282 0.2335 -5.0111 3 237.1486273 89502 303452718 442717 a-Alanine, conf. I
247176.5282 0.2335 -5.0111 3 237.1486273 89502 303452719 442718 a-Alanine, conf. I
247250.6644 0.1611 -4.7951 3 192.5935267 89502 303441430 431429 a-Alanine, conf. I
247251.5428 0.1496 -4.4330 3 203.9477279 89502 303461234 451333 a-Alanine, conf. I
247260.1340 0.1496 -4.7950 3 203.9477279 89502 303461334 451333 a-Alanine, conf. I
247270.4662 0.1496 -4.7950 3 203.9470279 89502 303461234 451233 a-Alanine, conf. I
247279.0575 0.1496 -4.4329 3 203.9470279 89502 303461334 451233 a-Alanine, conf. I
247289.2760 4.0400 -5.3004 3 334.8818345 89502 303572235 562334 a-Alanine, conf. I
247319.7525 3.4722 -5.8943 3 989.3595627 89502 303A41886 A41787 a-Alanine, conf. I
247319.7525 3.4722 -5.8943 3 989.3595627 89502 303A41986 A41887 a-Alanine, conf. I
247344.7116 2.5969 -5.6578 3 790.8139573 89502 303951283 951184 a-Alanine, conf. I
247344.7116 2.5969 -5.6578 3 790.8139573 89502 303951383 951284 a-Alanine, conf. I
247366.7789 1.0215 -5.5719 3 807.1243483 89502 303805426 805327 a-Alanine, conf. I
247366.7789 1.0215 -5.5719 3 807.1243483 89502 303805427 805328 a-Alanine, conf. I
247380.0672 2.4236 -5.9745 3 1090.4540585 89502 303975542 975443 a-Alanine, conf. I
247380.0672 2.4236 -5.9745 3 1090.4540585 89502 303975543 975444 a-Alanine, conf. I
247414.3152 0.1507 -4.7520 3 218.9071309 89502 30351 546 50 545 a-Alanine, conf. I
247414.3152 0.1507 -4.1835 3 218.9071309 89502 30351 546 50 645 a-Alanine, conf. I
247414.3152 0.1507 -4.1835 3 218.9071309 89502 30351 646 50 545 a-Alanine, conf. I
247414.3152 0.1507 -4.7520 3 218.9071309 89502 30351 646 50 645 a-Alanine, conf. I
247490.6946 0.2072 -5.4381 3 67.8319165 89502 30327 919 26 620 a-Alanine, conf. I
247501.1349 2.9596 -5.5886 3 646.0038531 89502 30388 781 88 682 a-Alanine, conf. I
247501.1349 2.9596 -5.5886 3 646.0038531 89502 30388 881 88 782 a-Alanine, conf. I
247510.7428 3.8103 -6.1084 3 491.7145483 89502 30380 179 80 080 a-Alanine, conf. I
247510.7428 3.8103 -6.1084 3 491.7145483 89502 30380 279 80 180 a-Alanine, conf. I
247522.2675 0.1104 -5.7796 3 90.5675201 89502 30333 429 32 329 a-Alanine, conf. I
247522.2676 0.1104 -5.7796 3 90.5675201 89502 30333 529 32 429 a-Alanine, conf. I
247555.1398 0.2517 -4.9840 3 233.1145273 89502 303452619 442618 a-Alanine, conf. I
247555.1398 0.2517 -4.9840 3 233.1145273 89502 303452620 442619 a-Alanine, conf. I
247560.0515 2.9911 -5.8033 3 921.2109609 89502 303A11685 A11586 a-Alanine, conf. I
247560.0515 2.9911 -5.8033 3 921.2109609 89502 303A11785 A11686 a-Alanine, conf. I
247563.7833 2.7014 -5.7238 3 855.0234591 89502 303981484 981385 a-Alanine, conf. I
247563.7833 2.7014 -5.7238 3 855.0234591 89502 303981584 981485 a-Alanine, conf. I
247584.6652 0.9644 -5.5560 3 792.5921477 89502 303795425 795326 a-Alanine, conf. I
247584.6652 0.9644 -5.5560 3 792.5921477 89502 303795426 795327 a-Alanine, conf. I
247632.0005 0.0251 -5.3535 3 98.2254165 89502 3032722 5 2621 5 a-Alanine, conf. I
247632.0005 0.0251 -4.2284 3 98.2254165 89502 3032722 5 2621 6 a-Alanine, conf. I
247632.0005 0.0251 -4.2284 3 98.2254165 89502 3032722 6 2621 5 a-Alanine, conf. I
247632.0005 0.0251 -5.3535 3 98.2254165 89502 3032722 6 2621 6 a-Alanine, conf. I
247661.3710 2.7296 -5.4386 3 415.0477381 89502 303632637 622736 a-Alanine, conf. I
247689.0767 3.3763 -5.6649 3 567.0280507 89502 30384 480 84 381 a-Alanine, conf. I
247689.0767 3.3763 -5.6649 3 567.0280507 89502 30384 580 84 481 a-Alanine, conf. I
247711.3034 0.7502 -4.6780 3 176.4456255 89502 303421528 411427 a-Alanine, conf. I
247761.6924 2.3129 -5.9460 3 1072.7974579 89502 303965541 965442 a-Alanine, conf. I
247761.6924 2.3129 -5.9460 3 1072.7974579 89502 303965542 965443 a-Alanine, conf. I
247771.8508 0.1507 -4.7732 3 215.0199297 89502 30349 841 48 840 a-Alanine, conf. I
247771.8508 0.1507 -4.2659 3 215.0199297 89502 30349 841 48 940 a-Alanine, conf. I
247771.8508 0.1507 -4.2659 3 215.0199297 89502 30349 941 48 840 a-Alanine, conf. I
247771.8508 0.1507 -4.7732 3 215.0199297 89502 30349 941 48 940 a-Alanine, conf. I
247793.9006 0.9111 -5.5410 3 778.2437471 89502 303785424 785325 a-Alanine, conf. I
247793.9006 0.9111 -5.5410 3 778.2437471 89502 303785425 785326 a-Alanine, conf. I
247849.9633 0.2489 -4.8017 3 194.9042267 89502 303441629 431628 a-Alanine, conf. I
247989.2066 0.2719 -4.9583 3 229.2548273 89502 303452521 442520 a-Alanine, conf. I
247989.2068 0.2719 -4.9583 3 229.2548273 89502 303452520 442519 a-Alanine, conf. I
247994.7282 0.8619 -5.5271 3 764.0791465 89502 303775423 775324 a-Alanine, conf. I
247994.7282 0.8619 -5.5271 3 764.0791465 89502 303775424 775325 a-Alanine, conf. I
248012.4406 0.4259 -4.8244 3 199.3319267 89502 303441827 431826 a-Alanine, conf. I
248052.9825 0.5770 -4.6410 3 184.4629261 89502 303431529 421428 a-Alanine, conf. I
248060.3173 4.5632 -6.0631 3 1104.4731657 89502 303A92188 A92089 a-Alanine, conf. I
248060.3173 4.5632 -6.0631 3 1104.4731657 89502 303A92288 A92189 a-Alanine, conf. I
248070.0658 2.8004 -5.8890 3 618.4922453 89502 303753739 743836 a-Alanine, conf. I
248070.0660 2.8004 -5.8890 3 618.4922453 89502 303753738 743837 a-Alanine, conf. I
248086.9553 2.8400 -5.9344 3 637.9765459 89502 303763838 753937 a-Alanine, conf. I
248086.9553 2.8400 -5.9344 3 637.9765459 89502 303763839 753936 a-Alanine, conf. I
248107.3597 2.7639 -5.8441 3 599.3477447 89502 303743639 733736 a-Alanine, conf. I
248107.3605 2.7639 -5.8441 3 599.3477447 89502 303743638 733737 a-Alanine, conf. I
248108.9757 0.2158 -5.4973 3 109.0505207 89502 30334 925 33 825 a-Alanine, conf. I
248130.4226 2.2057 -5.9181 3 1055.3257573 89502 303955540 955441 a-Alanine, conf. I
248130.4226 2.2057 -5.9181 3 1055.3257573 89502 303955541 955442 a-Alanine, conf. I
248150.8776 2.8823 -5.9804 3 657.8001465 89502 303773938 764037 a-Alanine, conf. I
248150.8776 2.8823 -5.9804 3 657.8001465 89502 303773939 764036 a-Alanine, conf. I
248185.9987 0.2105 -5.4970 3 109.0512207 89502 303341025 33 925 a-Alanine, conf. I
248187.3855 0.8170 -5.5143 3 750.0981459 89502 303765422 765323 a-Alanine, conf. I
248187.3855 0.8170 -5.5143 3 750.0981459 89502 303765423 765324 a-Alanine, conf. I
248203.4179 0.0937 -4.5724 3 118.5730207 89502 303341520 331419 a-Alanine, conf. I
248207.4995 2.7311 -5.7998 3 580.5437441 89502 303733539 723636 a-Alanine, conf. I
248207.5037 2.7311 -5.7998 3 580.5437441 89502 303733538 723637 a-Alanine, conf. I
248216.2404 2.5438 -4.9645 3 233.6182291 89502 303481731 471830 a-Alanine, conf. I
248220.9002 2.7695 -5.6016 3 705.5290549 89502 30391 982 91 883 a-Alanine, conf. I
248220.9002 2.7695 -5.6016 3 705.5290549 89502 303911082 91 983 a-Alanine, conf. I
248255.8671 2.9270 -6.0270 3 677.9623471 89502 303784038 774137 a-Alanine, conf. I
248255.8671 2.9270 -6.0270 3 677.9623471 89502 303784039 774136 a-Alanine, conf. I
248298.2837 2.5081 -6.1472 3 334.5010345 89502 303572236 571939 a-Alanine, conf. I
248334.9588 0.0268 -5.3621 3 99.9613171 89502 3032821 7 2720 7 a-Alanine, conf. I
248334.9588 0.0268 -4.2571 3 99.9613171 89502 3032821 7 2720 8 a-Alanine, conf. I
248334.9588 0.0268 -4.2571 3 99.9613171 89502 3032821 8 2720 7 a-Alanine, conf. I
248334.9588 0.0268 -5.3621 3 99.9613171 89502 3032821 8 2720 8 a-Alanine, conf. I
248368.7025 0.1533 -4.3766 3 209.1327285 89502 303471136 461235 a-Alanine, conf. I
248369.0135 0.1533 -4.7890 3 209.1327285 89502 303471236 461235 a-Alanine, conf. I
248369.4309 0.1533 -4.7890 3 209.1327285 89502 303471136 461135 a-Alanine, conf. I
248369.7420 0.1533 -4.3766 3 209.1327285 89502 303471236 461135 a-Alanine, conf. I
248372.1048 0.7767 -5.5027 3 736.3008453 89502 303755421 755322 a-Alanine, conf. I
248372.1048 0.7767 -5.5027 3 736.3008453 89502 303755422 755323 a-Alanine, conf. I
248381.1064 2.7027 -5.7560 3 562.0808435 89502 303723439 713536 a-Alanine, conf. I
248381.1260 2.7027 -5.7560 3 562.0808435 89502 303723438 713537 a-Alanine, conf. I
248396.8996 2.9737 -6.0742 3 698.4629477 89502 303794138 784237 a-Alanine, conf. I
248396.8996 2.9737 -6.0742 3 698.4629477 89502 303794139 784236 a-Alanine, conf. I
248411.1546 0.2719 -4.7162 3 223.8955327 89502 30354 153 53 152 a-Alanine, conf. I
248411.1546 0.2719 -4.0919 3 223.8955327 89502 30354 153 53 252 a-Alanine, conf. I
248411.1546 0.2719 -4.0919 3 223.8955327 89502 30354 253 53 152 a-Alanine, conf. I
248411.1546 0.2719 -4.7162 3 223.8955327 89502 30354 253 53 252 a-Alanine, conf. I
248434.1193 0.1308 -5.8884 3 87.6196201 89502 30333 330 32 230 a-Alanine, conf. I
248434.1193 0.1308 -5.8884 3 87.6196201 89502 30333 430 32 330 a-Alanine, conf. I
248486.6082 2.1021 -5.8908 3 1038.0387567 89502 303945539 945440 a-Alanine, conf. I
248486.6082 2.1021 -5.8908 3 1038.0387567 89502 303945540 945441 a-Alanine, conf. I
248491.7526 0.2945 -4.9339 3 225.5730273 89502 303452422 442421 a-Alanine, conf. I
248491.7569 0.2945 -4.9339 3 225.5730273 89502 303452421 442420 a-Alanine, conf. I
248526.0911 0.7445 -5.0174 3 101.1453195 89502 303321220 311121 a-Alanine, conf. I
248549.1130 0.7414 -5.4924 3 722.6871447 89502 303745420 745321 a-Alanine, conf. I
248549.1130 0.7414 -5.4924 3 722.6871447 89502 303745421 745322 a-Alanine, conf. I
248554.3833 2.4101 -5.4050 3 399.8838375 89502 303622538 612635 a-Alanine, conf. I
248569.7082 3.0224 -6.1220 3 719.3014483 89502 303804238 794337 a-Alanine, conf. I
248569.7082 3.0224 -6.1220 3 719.3014483 89502 303804239 794336 a-Alanine, conf. I
248585.8476 0.2866 -4.5844 3 200.9208273 89502 303451431 441530 a-Alanine, conf. I
248591.2170 0.8693 -4.7086 3 168.5481249 89502 303411527 401426 a-Alanine, conf. I
248641.3784 2.6796 -5.7128 3 543.9600429 89502 303713339 703436 a-Alanine, conf. I
248641.4679 2.6797 -5.7128 3 543.9600429 89502 303713338 703437 a-Alanine, conf. I
248675.9785 0.3674 -4.8089 3 197.0521267 89502 303441728 431727 a-Alanine, conf. I
248676.0867 3.1355 -5.6049 3 623.8315525 89502 30387 681 87 582 a-Alanine, conf. I
248676.0867 3.1355 -5.6049 3 623.8315525 89502 30387 781 87 682 a-Alanine, conf. I
248685.8678 3.8174 -5.9568 3 1033.0892639 89502 303A61987 A61888 a-Alanine, conf. I
248685.8678 3.8174 -5.9568 3 1033.0892639 89502 303A62087 A61988 a-Alanine, conf. I
248718.6323 0.7113 -5.4833 3 709.2568441 89502 303735419 735320 a-Alanine, conf. I
248718.6323 0.7113 -5.4833 3 709.2568441 89502 303735420 735321 a-Alanine, conf. I
248744.9680 3.5681 -5.7412 3 545.7670501 89502 30383 380 83 281 a-Alanine, conf. I
248744.9680 3.5681 -5.7412 3 545.7670501 89502 30383 480 83 381 a-Alanine, conf. I
248746.9555 2.6584 -5.6412 3 767.0704567 89502 303941183 941084 a-Alanine, conf. I
248746.9555 2.6584 -5.6412 3 767.0704567 89502 303941283 941184 a-Alanine, conf. I
248793.4852 0.0601 -5.3996 3 118.5730207 89502 303341519 331419 a-Alanine, conf. I
248799.4441 0.1651 -4.7417 3 222.5141315 89502 30352 448 51 447 a-Alanine, conf. I
248799.4441 0.1651 -4.1567 3 222.5141315 89502 30352 448 51 547 a-Alanine, conf. I
248799.4441 0.1651 -4.1567 3 222.5141315 89502 30352 548 51 447 a-Alanine, conf. I
248799.4441 0.1651 -4.7417 3 222.5141315 89502 30352 548 51 547 a-Alanine, conf. I
248830.5891 2.0018 -5.8643 3 1020.9363561 89502 303935538 935439 a-Alanine, conf. I
248830.5891 2.0018 -5.8643 3 1020.9363561 89502 303935539 935440 a-Alanine, conf. I
248835.3678 2.8830 -5.5327 3 379.3974369 89502 303612240 602337 a-Alanine, conf. I
248848.1615 1.3535 -5.4470 3 367.9039363 89502 303602239 592336 a-Alanine, conf. I
248880.8799 0.6866 -5.4757 3 696.0100435 89502 303725418 725319 a-Alanine, conf. I
248880.8799 0.6866 -5.4757 3 696.0100435 89502 303725419 725320 a-Alanine, conf. I
248976.7887 1.4470 -6.1323 3 348.2277351 89502 303582336 582039 a-Alanine, conf. I
249001.8828 0.0307 -5.3699 3 102.0610177 89502 3032920 9 2819 9 a-Alanine, conf. I
249001.8828 0.0307 -4.2886 3 102.0610177 89502 3032920 9 281910 a-Alanine, conf. I
249001.8828 0.0307 -4.2886 3 102.0610177 89502 303292010 2819 9 a-Alanine, conf. I
249001.8828 0.0307 -5.3699 3 102.0610177 89502 303292010 281910 a-Alanine, conf. I
249004.9485 2.6631 -5.6701 3 526.1822423 89502 303703239 693336 a-Alanine, conf. I
249005.3422 2.6634 -5.6701 3 526.1822423 89502 303703238 693337 a-Alanine, conf. I
249036.0686 0.6676 -5.4697 3 682.9464429 89502 303715417 715318 a-Alanine, conf. I
249036.0686 0.6676 -5.4697 3 682.9464429 89502 303715418 715319 a-Alanine, conf. I
249051.8993 3.2466 -5.8599 3 963.6393621 89502 303A31786 A31687 a-Alanine, conf. I
249051.8993 3.2466 -5.8599 3 963.6393621 89502 303A31886 A31787 a-Alanine, conf. I
249068.7671 2.6756 -5.7000 3 830.6131585 89502 303971384 971285 a-Alanine, conf. I
249068.7671 2.6756 -5.7000 3 830.6131585 89502 303971484 971385 a-Alanine, conf. I
249080.7877 0.3198 -4.9107 3 222.0737273 89502 303452323 442322 a-Alanine, conf. I
249080.8485 0.3198 -4.9107 3 222.0737273 89502 303452322 442321 a-Alanine, conf. I
249144.3192 0.1511 -4.7640 3 219.2667303 89502 30350 743 49 742 a-Alanine, conf. I
249144.3192 0.1511 -4.2327 3 219.2667303 89502 30350 743 49 842 a-Alanine, conf. I
249144.3192 0.1511 -4.2327 3 219.2667303 89502 30350 843 49 742 a-Alanine, conf. I
249144.3192 0.1511 -4.7640 3 219.2667303 89502 30350 843 49 842 a-Alanine, conf. I
249162.6948 1.9048 -5.8384 3 1004.0186555 89502 303925537 925438 a-Alanine, conf. I
249162.6948 1.9048 -5.8384 3 1004.0186555 89502 303925538 925439 a-Alanine, conf. I
249174.7170 2.8648 -5.7737 3 896.1415603 89502 303A01585 A01486 a-Alanine, conf. I
249174.7170 2.8648 -5.7737 3 896.1415603 89502 303A01685 A01586 a-Alanine, conf. I
249184.4068 0.6542 -5.4653 3 670.0662423 89502 303705416 705317 a-Alanine, conf. I
249184.4068 0.6542 -5.4653 3 670.0662423 89502 303705417 705318 a-Alanine, conf. I
249220.0929 0.1390 -5.3463 3 76.0279171 89502 303281118 27 819 a-Alanine, conf. I
249223.5262 5.0359 -6.1338 3 1150.3372669 89502 303B12289 B12190 a-Alanine, conf. I
249223.5262 5.0359 -6.1338 3 1150.3372669 89502 303B12389 B12290 a-Alanine, conf. I
249250.4242 0.1592 -6.0485 3 84.5413201 89502 30333 231 32 131 a-Alanine, conf. I
249250.4242 0.1592 -6.0485 3 84.5413201 89502 30333 331 32 231 a-Alanine, conf. I
249326.0986 0.6466 -5.4628 3 657.3691417 89502 303695415 695316 a-Alanine, conf. I
249326.0986 0.6466 -5.4628 3 657.3691417 89502 303695416 695317 a-Alanine, conf. I
249362.4611 0.6037 -4.8195 3 199.3786267 89502 303441826 431825 a-Alanine, conf. I
249411.9911 0.3477 -4.6927 3 116.6992207 89502 303341420 331321 a-Alanine, conf. I
249461.3437 0.6445 -5.4623 3 644.8551411 89502 303685414 685315 a-Alanine, conf. I
249461.3437 0.6445 -5.4623 3 644.8551411 89502 303685415 685316 a-Alanine, conf. I
249483.2450 1.8111 -5.8131 3 987.2854549 89502 303915536 915437 a-Alanine, conf. I
249483.2450 1.8111 -5.8131 3 987.2854549 89502 303915537 915438 a-Alanine, conf. I
249483.8554 2.9183 -5.6005 3 682.6721543 89502 30390 882 90 783 a-Alanine, conf. I
249483.8554 2.9183 -5.6005 3 682.6721543 89502 30390 982 90 883 a-Alanine, conf. I
249493.0334 2.6547 -5.6279 3 508.7486417 89502 303693139 683236 a-Alanine, conf. I
249494.6996 2.6559 -5.6279 3 508.7486417 89502 303693138 683237 a-Alanine, conf. I
249553.3732 0.4122 -5.4377 3 119.3789213 89502 303351124 341024 a-Alanine, conf. I
249590.3383 0.6477 -5.4641 3 632.5243405 89502 303675413 675314 a-Alanine, conf. I
249590.3383 0.6477 -5.4641 3 632.5243405 89502 303675414 675315 a-Alanine, conf. I
249607.0828 0.0353 -4.3239 3 104.5333183 89502 303301912 291811 a-Alanine, conf. I
249607.0829 0.0353 -5.3770 3 104.5333183 89502 303301911 291811 a-Alanine, conf. I
249607.0838 0.0353 -5.3770 3 104.5333183 89502 303301912 291812 a-Alanine, conf. I
249607.0840 0.0353 -4.3239 3 104.5333183 89502 303301911 291812 a-Alanine, conf. I
249607.9805 0.1564 -4.3300 3 214.0724291 89502 303481038 471137 a-Alanine, conf. I
249607.9891 0.1564 -4.7818 3 214.0724291 89502 303481138 471137 a-Alanine, conf. I
249608.0017 0.1564 -4.7818 3 214.0724291 89502 303481038 471037 a-Alanine, conf. I
249608.0102 0.1564 -4.3300 3 214.0724291 89502 303481138 471037 a-Alanine, conf. I
249621.2608 1.4792 -5.3641 3 370.6695363 89502 303602338 592435 a-Alanine, conf. I
249645.9691 0.4057 -4.6039 3 192.5935267 89502 303441530 431429 a-Alanine, conf. I
249713.2743 0.6557 -5.4684 3 620.3764399 89502 303665412 665313 a-Alanine, conf. I
249713.2743 0.6557 -5.4684 3 620.3764399 89502 303665413 665314 a-Alanine, conf. I
249723.8879 0.1264 -5.6724 3 59.5021159 89502 30326 620 25 521 a-Alanine, conf. I
249731.2953 2.1360 -5.3759 3 385.0854369 89502 303612438 602535 a-Alanine, conf. I
249753.7486 0.3395 -4.7050 3 226.6907333 89502 30355 055 54 054 a-Alanine, conf. I
249753.7486 0.3395 -4.0698 3 226.6907333 89502 30355 055 54 154 a-Alanine, conf. I
249753.7486 0.3395 -4.0698 3 226.6907333 89502 30355 155 54 054 a-Alanine, conf. I
249753.7486 0.3395 -4.7050 3 226.6907333 89502 30355 155 54 154 a-Alanine, conf. I
249761.2601 0.1853 -4.7756 3 186.0001261 89502 303431528 421527 a-Alanine, conf. I
249766.2313 3.7622 -5.8693 3 524.7275495 89502 30382 280 82 181 a-Alanine, conf. I
249766.2313 3.7622 -5.8693 3 524.7275495 89502 30382 380 82 281 a-Alanine, conf. I
249767.5210 0.1250 -5.6723 3 59.5020159 89502 30326 720 25 421 a-Alanine, conf. I
249782.1760 0.3488 -4.8884 3 218.7628273 89502 303452224 442223 a-Alanine, conf. I
249782.9190 0.3490 -4.8884 3 218.7628273 89502 303452223 442222 a-Alanine, conf. I
249792.5503 1.7205 -5.7886 3 970.7366543 89502 303905535 905436 a-Alanine, conf. I
249792.5503 1.7205 -5.7886 3 970.7366543 89502 303905536 905437 a-Alanine, conf. I
249812.6479 3.3211 -5.6339 3 601.8763519 89502 30386 581 86 482 a-Alanine, conf. I
249812.6479 3.3211 -5.6339 3 601.8763519 89502 30386 681 86 582 a-Alanine, conf. I
249830.3402 0.6680 -5.4756 3 608.4114393 89502 303655411 655312 a-Alanine, conf. I
249830.3402 0.6680 -5.4756 3 608.4114393 89502 303655412 655313 a-Alanine, conf. I
249867.8770 0.1606 -4.7941 3 200.9208273 89502 303451531 441530 a-Alanine, conf. I
249882.8083 0.3334 -6.0810 3 339.1051279 89502 3034644 2 4544 1 a-Alanine, conf. I
249882.8083 0.3334 -6.0810 3 339.1051279 89502 3034644 3 4544 2 a-Alanine, conf. I
249941.7206 0.6842 -5.4862 3 596.6293387 89502 303645410 645311 a-Alanine, conf. I
249941.7206 0.6842 -5.4862 3 596.6293387 89502 303645411 645312 a-Alanine, conf. I
249959.0801 0.3090 -5.8954 3 332.3042279 89502 3034643 3 4543 2 a-Alanine, conf. I
249959.0801 0.3090 -5.8954 3 332.3042279 89502 3034643 4 4543 3 a-Alanine, conf. I
249986.0058 4.2059 -6.0224 3 1077.6665651 89502 303A82088 A81989 a-Alanine, conf. I
249986.0058 4.2059 -6.0224 3 1077.6665651 89502 303A82188 A82089 a-Alanine, conf. I
250041.8519 0.2860 -5.7612 3 325.6621279 89502 3034642 4 4542 3 a-Alanine, conf. I
250041.8519 0.2860 -5.7612 3 325.6621279 89502 3034642 5 4542 4 a-Alanine, conf. I
250047.5966 0.7037 -5.5007 3 585.0299381 89502 3036354 9 635310 a-Alanine, conf. I
250047.5966 0.7037 -5.5007 3 585.0299381 89502 303635410 635311 a-Alanine, conf. I
250059.2787 0.1716 -5.5299 3 106.7262207 89502 30334 826 33 726 a-Alanine, conf. I
250066.4142 0.1710 -5.5299 3 106.7262207 89502 30334 926 33 826 a-Alanine, conf. I
250090.9124 1.6331 -5.7648 3 954.3721537 89502 303895534 895435 a-Alanine, conf. I
250090.9124 1.6331 -5.7648 3 954.3721537 89502 303895535 895436 a-Alanine, conf. I
250103.2282 2.7579 -5.6288 3 743.5358561 89502 303931083 93 984 a-Alanine, conf. I
250103.2282 2.7579 -5.6288 3 743.5358561 89502 303931183 931084 a-Alanine, conf. I
250106.1000 0.0404 -4.3646 3 107.3906189 89502 303311814 301713 a-Alanine, conf. I
250106.1142 0.0404 -5.3832 3 107.3906189 89502 303311813 301713 a-Alanine, conf. I
250106.1788 0.0404 -5.3832 3 107.3906189 89502 303311814 301714 a-Alanine, conf. I
250106.1930 0.0404 -4.3646 3 107.3906189 89502 303311813 301714 a-Alanine, conf. I
250131.7622 0.2645 -5.6554 3 319.1792279 89502 3034641 5 4541 4 a-Alanine, conf. I
250131.7622 0.2645 -5.6554 3 319.1792279 89502 3034641 6 4541 5 a-Alanine, conf. I
250132.7533 2.6563 -5.5863 3 491.6607411 89502 303683039 673136 a-Alanine, conf. I
250136.7351 0.0679 -5.3959 3 118.5085207 89502 303341520 331420 a-Alanine, conf. I
250139.5215 2.6606 -5.5862 3 491.6607411 89502 303683038 673137 a-Alanine, conf. I
250148.1461 0.7261 -5.5199 3 573.6133375 89502 3036254 8 6253 9 a-Alanine, conf. I
250148.1461 0.7261 -5.5199 3 573.6133375 89502 3036254 9 625310 a-Alanine, conf. I
250171.6096 0.0844 -6.0430 3 51.1572153 89502 30325 421 24 322 a-Alanine, conf. I
250171.9931 0.0844 -6.0430 3 51.1572153 89502 30325 521 24 222 a-Alanine, conf. I
250177.1874 0.1919 -4.7312 3 225.9281321 89502 30353 350 52 349 a-Alanine, conf. I
250177.1874 0.1919 -4.1316 3 225.9281321 89502 30353 350 52 449 a-Alanine, conf. I
250177.1874 0.1919 -4.1316 3 225.9281321 89502 30353 450 52 349 a-Alanine, conf. I
250177.1874 0.1919 -4.7312 3 225.9281321 89502 30353 450 52 449 a-Alanine, conf. I
250221.8147 8.1479 -5.8379 3 442.4206399 89502 303662344 652441 a-Alanine, conf. I
250229.5351 0.2450 -5.5678 3 312.8557279 89502 3034640 6 4540 5 a-Alanine, conf. I
250229.5351 0.2450 -5.5678 3 312.8557279 89502 3034640 7 4540 6 a-Alanine, conf. I
250243.5432 0.7508 -5.5447 3 562.3794369 89502 3036154 7 6153 8 a-Alanine, conf. I
250243.5432 0.7508 -5.5447 3 562.3794369 89502 3036154 8 6153 9 a-Alanine, conf. I
250268.9341 0.2538 -5.4127 3 121.3031213 89502 303351323 341223 a-Alanine, conf. I
250294.2198 0.0489 -4.4766 3 114.3502201 89502 303331618 321517 a-Alanine, conf. I
250321.3791 0.0496 -5.3932 3 114.3502201 89502 303331617 321517 a-Alanine, conf. I
250326.8956 0.8961 -4.7253 3 160.7897243 89502 303401526 391425 a-Alanine, conf. I
250333.9591 0.7774 -5.5768 3 551.3281363 89502 3036054 6 6053 7 a-Alanine, conf. I
250333.9591 0.7774 -5.5768 3 551.3281363 89502 3036054 7 6053 8 a-Alanine, conf. I
250335.9952 0.2276 -5.4927 3 306.6919279 89502 3034639 7 4539 6 a-Alanine, conf. I
250335.9952 0.2276 -5.4927 3 306.6919279 89502 3034639 8 4539 7 a-Alanine, conf. I
250349.4786 3.0975 -5.3979 3 399.8796375 89502 303622537 612636 a-Alanine, conf. I
250378.6249 1.5488 -5.7418 3 938.1919531 89502 303885533 885434 a-Alanine, conf. I
250378.6249 1.5488 -5.7418 3 938.1919531 89502 303885534 885435 a-Alanine, conf. I
250405.1940 0.0516 -5.3929 3 114.3465201 89502 303331618 321518 a-Alanine, conf. I
250414.2999 0.0457 -4.4135 3 110.6520195 89502 303321716 311615 a-Alanine, conf. I
250415.0765 0.0457 -5.3885 3 110.6520195 89502 303321715 311615 a-Alanine, conf. I
250418.0440 0.0458 -5.3885 3 110.6518195 89502 303321716 311616 a-Alanine, conf. I
250418.8206 0.0458 -4.4135 3 110.6518195 89502 303321715 311616 a-Alanine, conf. I
250419.5617 0.8056 -5.6180 3 540.4593357 89502 3035954 5 5953 6 a-Alanine, conf. I
250419.5617 0.8056 -5.6180 3 540.4593357 89502 3035954 6 5953 7 a-Alanine, conf. I
250432.3533 0.0526 -4.4762 3 114.3465201 89502 303331617 321518 a-Alanine, conf. I
250452.0854 0.2126 -5.4269 3 300.6883279 89502 3034638 8 4538 7 a-Alanine, conf. I
250452.0854 0.2126 -5.4269 3 300.6883279 89502 3034638 9 4538 8 a-Alanine, conf. I
250481.0911 3.5469 -5.9200 3 1006.9201633 89502 303A51887 A51788 a-Alanine, conf. I
250481.0911 3.5469 -5.9200 3 1006.9201633 89502 303A51987 A51888 a-Alanine, conf. I
250483.9556 0.6221 -4.7793 3 187.3627261 89502 303431627 421626 a-Alanine, conf. I
250500.5157 0.8350 -5.6718 3 529.7729351 89502 3035854 4 5853 5 a-Alanine, conf. I
250500.5157 0.8350 -5.6718 3 529.7729351 89502 3035854 5 5853 6 a-Alanine, conf. I
250524.2155 2.6996 -5.6793 3 806.4081579 89502 303961284 961185 a-Alanine, conf. I
250524.2155 2.6996 -5.6793 3 806.4081579 89502 303961384 961285 a-Alanine, conf. I
250527.9245 0.1530 -4.7545 3 223.3121309 89502 30351 645 50 644 a-Alanine, conf. I
250527.9245 0.1530 -4.2025 3 223.3121309 89502 30351 645 50 744 a-Alanine, conf. I
250527.9245 0.1530 -4.2025 3 223.3121309 89502 30351 745 50 644 a-Alanine, conf. I
250527.9245 0.1530 -4.7545 3 223.3121309 89502 30351 745 50 744 a-Alanine, conf. I
250576.9827 0.8653 -5.7437 3 519.2690345 89502 3035754 3 5753 4 a-Alanine, conf. I
250576.9827 0.8653 -5.7437 3 519.2690345 89502 3035754 4 5753 5 a-Alanine, conf. I
250578.8889 0.2005 -5.3684 3 294.8452279 89502 3034637 9 4537 8 a-Alanine, conf. I
250578.8889 0.2005 -5.3684 3 294.8452279 89502 303463710 4537 9 a-Alanine, conf. I
250633.5547 0.3830 -4.8670 3 215.6485273 89502 303452125 442124 a-Alanine, conf. I
250641.2748 0.3845 -4.8670 3 215.6486273 89502 303452124 442123 a-Alanine, conf. I
250649.1214 0.8964 -5.8438 3 508.9474339 89502 3035654 2 5653 3 a-Alanine, conf. I
250649.1214 0.8964 -5.8438 3 508.9474339 89502 3035654 3 5653 4 a-Alanine, conf. I
250655.9734 1.4676 -5.7195 3 922.1959525 89502 303875532 875433 a-Alanine, conf. I
250655.9734 1.4676 -5.7195 3 922.1959525 89502 303875533 875434 a-Alanine, conf. I
250661.7349 0.1566 -4.4806 3 206.7057279 89502 303461333 451432 a-Alanine, conf. I
250665.0251 2.9510 -6.1332 3 1189.6937615 89502 303A25646 A25547 a-Alanine, conf. I
250665.0251 2.9510 -6.1332 3 1189.6937615 89502 303A25647 A25548 a-Alanine, conf. I
250705.6988 3.0857 -5.6068 3 660.0292537 89502 30389 782 89 683 a-Alanine, conf. I
250705.6988 3.0857 -5.6068 3 660.0292537 89502 30389 882 89 783 a-Alanine, conf. I
250717.0875 0.9280 -5.9954 3 498.8082333 89502 3035554 1 5553 2 a-Alanine, conf. I
250717.0875 0.9280 -5.9954 3 498.8082333 89502 3035554 2 5553 3 a-Alanine, conf. I
250717.6566 0.1917 -5.3156 3 289.1631279 89502 303463610 4536 9 a-Alanine, conf. I
250717.6566 0.1917 -5.3156 3 289.1631279 89502 303463611 453610 a-Alanine, conf. I
250725.9761 3.0725 -5.8276 3 938.1166615 89502 303A21686 A21587 a-Alanine, conf. I
250725.9761 3.0725 -5.8276 3 938.1166615 89502 303A21786 A21687 a-Alanine, conf. I
250726.8023 0.1048 -4.5665 3 118.5085207 89502 303341519 331420 a-Alanine, conf. I
250735.8437 2.7929 -5.7467 3 871.2737597 89502 303991485 991386 a-Alanine, conf. I
250735.8437 2.7929 -5.7467 3 871.2737597 89502 303991585 991486 a-Alanine, conf. I
250745.6598 0.1544 -4.7911 3 206.7057279 89502 303461433 451432 a-Alanine, conf. I
250754.0786 3.9574 -6.1227 3 503.9109489 89502 30381 180 81 081 a-Alanine, conf. I
250754.0786 3.9574 -6.1227 3 503.9109489 89502 30381 280 81 181 a-Alanine, conf. I
250819.0908 3.9564 -5.3275 3 359.5375357 89502 303592336 582435 a-Alanine, conf. I
250836.0873 0.1537 -4.7908 3 206.6999279 89502 303461333 451332 a-Alanine, conf. I
250836.1003 11.7789 -6.0379 3 496.8884423 89502 303702447 692544 a-Alanine, conf. I
250865.0337 0.0452 -5.3110 3 99.4969153 89502 3032525 0 2424 0 a-Alanine, conf. I
250865.0337 0.0452 -4.1468 3 99.4969153 89502 3032525 0 2424 1 a-Alanine, conf. I
250865.0337 0.0452 -4.1468 3 99.4969153 89502 3032525 1 2424 0 a-Alanine, conf. I
250865.0337 0.0452 -5.3110 3 99.4969153 89502 3032525 1 2424 1 a-Alanine, conf. I
250869.8409 0.1863 -5.2675 3 283.6425279 89502 303463511 453510 a-Alanine, conf. I
250869.8409 0.1863 -5.2675 3 283.6425279 89502 303463512 453511 a-Alanine, conf. I
250912.2283 3.5134 -5.6812 3 580.1397513 89502 30385 481 85 382 a-Alanine, conf. I
250912.2283 3.5134 -5.6812 3 580.1397513 89502 30385 581 85 482 a-Alanine, conf. I
250919.8044 0.1582 -4.2899 3 218.7857297 89502 30349 940 481039 a-Alanine, conf. I
250919.8046 0.1582 -4.7739 3 218.7857297 89502 303491040 481039 a-Alanine, conf. I
250919.8049 0.1582 -4.7739 3 218.7857297 89502 30349 940 48 939 a-Alanine, conf. I
250919.8050 0.1582 -4.2899 3 218.7857297 89502 303491040 48 939 a-Alanine, conf. I
250920.0122 0.1540 -4.4796 3 206.6999279 89502 303461433 451332 a-Alanine, conf. I
250923.2359 1.3896 -5.6980 3 906.3841519 89502 303865531 865432 a-Alanine, conf. I
250923.2359 1.3896 -5.6980 3 906.3841519 89502 303865532 865433 a-Alanine, conf. I
250957.7729 2.6689 -5.5451 3 474.9201405 89502 303672939 663036 a-Alanine, conf. I
250981.1523 0.1575 -4.7897 3 200.8409273 89502 303451431 441430 a-Alanine, conf. I
250984.0682 2.6843 -5.5450 3 474.9201405 89502 303672938 663037 a-Alanine, conf. I
251037.1384 0.1846 -5.2234 3 278.2841279 89502 303463412 453411 a-Alanine, conf. I
251037.1384 0.1846 -5.2234 3 278.2841279 89502 303463413 453412 a-Alanine, conf. I
251086.4954 2.8239 -6.1019 3 1171.1267609 89502 303A15645 A15546 a-Alanine, conf. I
251086.4954 2.8239 -6.1019 3 1171.1267609 89502 303A15646 A15547 a-Alanine, conf. I
251180.6834 1.3148 -5.6772 3 890.7563513 89502 303855530 855431 a-Alanine, conf. I
251180.6834 1.3148 -5.6772 3 890.7563513 89502 303855531 855432 a-Alanine, conf. I
251218.4474 4.6377 -6.0910 3 1123.0888663 89502 303B02189 B02090 a-Alanine, conf. I
251218.4474 4.6377 -6.0910 3 1123.0888663 89502 303B02289 B02190 a-Alanine, conf. I
251221.5451 0.1866 -5.1826 3 273.0885279 89502 303463313 453312 a-Alanine, conf. I
251221.5451 0.1866 -5.1826 3 273.0885279 89502 303463314 453313 a-Alanine, conf. I
251415.3866 2.8882 -5.6212 3 720.2119555 89502 30392 983 92 884 a-Alanine, conf. I
251415.3866 2.8882 -5.6212 3 720.2119555 89502 303921083 92 984 a-Alanine, conf. I
251424.2959 0.1619 -5.3962 3 123.0858213 89502 303351422 341322 a-Alanine, conf. I
251425.4269 0.1921 -5.1448 3 268.0567279 89502 303463214 453213 a-Alanine, conf. I
251425.4269 0.1921 -5.1448 3 268.0567279 89502 303463215 453214 a-Alanine, conf. I
251428.5798 1.2433 -5.6573 3 875.3125507 89502 303845529 845430 a-Alanine, conf. I
251428.5798 1.2433 -5.6573 3 875.3125507 89502 303845530 845431 a-Alanine, conf. I
251490.1263 0.1791 -4.5974 3 125.0187213 89502 303351521 341420 a-Alanine, conf. I
251494.2879 2.7008 -6.0712 3 1152.7445603 89502 303A05644 A05545 a-Alanine, conf. I
251494.2879 2.7008 -6.0712 3 1152.7445603 89502 303A05645 A05546 a-Alanine, conf. I
251544.1062 0.2329 -4.7206 3 229.1504327 89502 30354 252 53 251 a-Alanine, conf. I
251544.1062 0.2329 -4.1079 3 229.1504327 89502 30354 252 53 351 a-Alanine, conf. I
251544.1062 0.2329 -4.1079 3 229.1504327 89502 30354 352 53 251 a-Alanine, conf. I
251544.1062 0.2329 -4.7206 3 229.1504327 89502 30354 352 53 351 a-Alanine, conf. I
251588.1798 0.2883 -5.4318 3 119.4067213 89502 303351224 341124 a-Alanine, conf. I
251602.4781 0.0336 -5.3212 3 100.3599159 89502 3032624 2 2523 2 a-Alanine, conf. I
251602.4781 0.0336 -4.1707 3 100.3599159 89502 3032624 2 2523 3 a-Alanine, conf. I
251602.4781 0.0336 -4.1707 3 100.3599159 89502 3032624 3 2523 2 a-Alanine, conf. I
251602.4781 0.0336 -5.3212 3 100.3599159 89502 3032624 3 2523 3 a-Alanine, conf. I
251634.0887 0.1393 -5.5704 3 104.2403207 89502 30334 727 33 627 a-Alanine, conf. I
251634.6025 0.1393 -5.5704 3 104.2403207 89502 30334 827 33 727 a-Alanine, conf. I
251651.6128 0.2008 -5.1095 3 263.1895279 89502 303463115 453114 a-Alanine, conf. I
251651.6128 0.2008 -5.1095 3 263.1895279 89502 303463116 453115 a-Alanine, conf. I
251667.1829 1.1750 -5.6383 3 860.0526501 89502 303835528 835429 a-Alanine, conf. I
251667.1829 1.1750 -5.6383 3 860.0526501 89502 303835529 835430 a-Alanine, conf. I
251681.1961 0.4223 -4.8461 3 212.7423273 89502 303452026 442025 a-Alanine, conf. I
251687.3599 0.2292 -5.3629 3 137.4084225 89502 303371423 361323 a-Alanine, conf. I
251694.9873 0.1583 -4.4131 3 212.1954285 89502 303471235 461334 a-Alanine, conf. I
251698.8328 0.1583 -4.7868 3 212.1954285 89502 303471335 461334 a-Alanine, conf. I
251703.5786 0.1583 -4.7868 3 212.1951285 89502 303471235 461234 a-Alanine, conf. I
251707.4241 0.1583 -4.4131 3 212.1951285 89502 303471335 461234 a-Alanine, conf. I
251748.1061 0.4345 -4.8459 3 212.7440273 89502 303452025 442024 a-Alanine, conf. I
251846.0840 3.8917 -5.9833 3 1051.0509645 89502 303A71988 A71889 a-Alanine, conf. I
251846.0840 3.8917 -5.9833 3 1051.0509645 89502 303A72088 A71989 a-Alanine, conf. I
251873.7667 0.2359 -5.3513 3 74.4148171 89502 303281019 27 720 a-Alanine, conf. I
251887.9899 3.2666 -5.6226 3 637.6017531 89502 30388 682 88 583 a-Alanine, conf. I
251887.9899 3.2666 -5.6226 3 637.6017531 89502 30388 782 88 683 a-Alanine, conf. I
251888.7699 2.5816 -6.0411 3 1134.5470597 89502 303995643 995544 a-Alanine, conf. I
251888.7699 2.5816 -6.0411 3 1134.5470597 89502 303995644 995545 a-Alanine, conf. I
251896.7440 1.1103 -5.6201 3 844.9765495 89502 303825527 825428 a-Alanine, conf. I
251896.7440 1.1103 -5.6201 3 844.9765495 89502 303825528 825429 a-Alanine, conf. I
251903.5191 0.2123 -5.0765 3 258.4880279 89502 303463016 453015 a-Alanine, conf. I
251903.5191 0.2123 -5.0765 3 258.4880279 89502 303463017 453016 a-Alanine, conf. I
251913.9077 0.1599 -4.7448 3 227.1600315 89502 30352 547 51 546 a-Alanine, conf. I
251913.9077 0.1599 -4.1746 3 227.1600315 89502 30352 547 51 646 a-Alanine, conf. I
251913.9077 0.1599 -4.1746 3 227.1600315 89502 30352 647 51 546 a-Alanine, conf. I
251913.9077 0.1599 -4.7448 3 227.1600315 89502 30352 647 51 646 a-Alanine, conf. I
251932.2148 2.7681 -5.6622 3 782.4103573 89502 303951184 951085 a-Alanine, conf. I
251932.2148 2.7681 -5.6622 3 782.4103573 89502 303951284 951185 a-Alanine, conf. I
251976.1573 3.7098 -5.7570 3 558.6230507 89502 30384 381 84 282 a-Alanine, conf. I
251976.1573 3.7098 -5.7570 3 558.6230507 89502 30384 481 84 382 a-Alanine, conf. I
252001.5224 3.2495 -5.0376 3 254.2733303 89502 303501832 491931 a-Alanine, conf. I
252004.9947 2.6903 -5.5047 3 458.5292399 89502 303662839 652936 a-Alanine, conf. I
252102.2505 2.7425 -5.5043 3 458.5291399 89502 303662838 652937 a-Alanine, conf. I
252117.5083 1.0492 -5.6028 3 830.0842489 89502 303815526 815427 a-Alanine, conf. I
252117.5083 1.0492 -5.6028 3 830.0842489 89502 303815527 815428 a-Alanine, conf. I
252185.3194 0.2262 -5.0455 3 253.9538279 89502 303462917 452916 a-Alanine, conf. I
252185.3194 0.2262 -5.0455 3 253.9538279 89502 303462918 452917 a-Alanine, conf. I
252216.1670 3.3255 -5.8851 3 980.9465627 89502 303A41787 A41688 a-Alanine, conf. I
252216.1670 3.3255 -5.8851 3 980.9465627 89502 303A41887 A41788 a-Alanine, conf. I
252222.1101 0.5751 -5.4092 3 127.7031219 89502 303361224 351124 a-Alanine, conf. I
252245.7927 2.7745 -5.7224 3 846.6094591 89502 303981385 981286 a-Alanine, conf. I
252245.7927 2.7745 -5.7224 3 846.6094591 89502 303981485 981386 a-Alanine, conf. I
252263.1817 0.2773 -4.5694 3 200.8409273 89502 303451531 441430 a-Alanine, conf. I
252270.2967 2.4662 -6.0116 3 1116.5341591 89502 303985642 985543 a-Alanine, conf. I
252270.2967 2.4662 -6.0116 3 1116.5341591 89502 303985643 985544 a-Alanine, conf. I
252272.0613 0.1588 -4.2545 3 223.2847303 89502 30350 842 49 941 a-Alanine, conf. I
252272.0613 0.1588 -4.7655 3 223.2847303 89502 30350 942 49 941 a-Alanine, conf. I
252272.0614 0.1588 -4.7655 3 223.2847303 89502 30350 842 49 841 a-Alanine, conf. I
252272.0614 0.1588 -4.2545 3 223.2847303 89502 30350 942 49 841 a-Alanine, conf. I
252315.3580 0.8266 -4.7227 3 153.1982237 89502 303391525 381424 a-Alanine, conf. I
252329.7157 0.9918 -5.5865 3 815.3756483 89502 303805525 805426 a-Alanine, conf. I
252329.7157 0.9918 -5.5865 3 815.3756483 89502 303805526 805427 a-Alanine, conf. I
252332.4586 0.0276 -5.3307 3 101.5737165 89502 3032723 4 2622 4 a-Alanine, conf. I
252332.4586 0.0276 -4.1959 3 101.5737165 89502 3032723 4 2622 5 a-Alanine, conf. I
252332.4586 0.0276 -4.1959 3 101.5737165 89502 3032723 5 2622 4 a-Alanine, conf. I
252332.4586 0.0276 -5.3307 3 101.5737165 89502 3032723 5 2622 5 a-Alanine, conf. I
252344.6749 2.9526 -5.7975 3 912.7936609 89502 303A11586 A11487 a-Alanine, conf. I
252344.6749 2.9526 -5.7975 3 912.7936609 89502 303A11686 A11587 a-Alanine, conf. I
252502.1807 0.2424 -5.0163 3 249.5883279 89502 303462818 452817 a-Alanine, conf. I
252502.1807 0.2424 -5.0163 3 249.5883279 89502 303462819 452818 a-Alanine, conf. I
252533.6002 0.9385 -5.5713 3 800.8506477 89502 303795524 795425 a-Alanine, conf. I
252533.6002 0.9385 -5.5713 3 800.8506477 89502 303795525 795426 a-Alanine, conf. I
252639.2123 2.3545 -5.9828 3 1098.7057585 89502 303975641 975542 a-Alanine, conf. I
252639.2123 2.3545 -5.9828 3 1098.7057585 89502 303975642 975543 a-Alanine, conf. I
252685.1652 3.0426 -5.6197 3 697.1003549 89502 30391 883 91 784 a-Alanine, conf. I
252685.1652 3.0426 -5.6197 3 697.1003549 89502 30391 983 91 884 a-Alanine, conf. I
252729.3910 0.8895 -5.5570 3 786.5092471 89502 303785523 785424 a-Alanine, conf. I
252729.3910 0.8895 -5.5570 3 786.5092471 89502 303785524 785425 a-Alanine, conf. I
252750.1412 0.0892 -5.3867 3 125.0187213 89502 303351520 341420 a-Alanine, conf. I
252819.1050 0.2252 -4.7908 3 203.1716273 89502 303451630 441629 a-Alanine, conf. I
252840.1398 0.1621 -4.3604 3 217.4174291 89502 303481137 471236 a-Alanine, conf. I
252840.2712 0.1621 -4.7810 3 217.4174291 89502 303481237 471236 a-Alanine, conf. I
252840.4509 0.1621 -4.7810 3 217.4174291 89502 303481137 471136 a-Alanine, conf. I
252840.5823 0.1621 -4.3604 3 217.4174291 89502 303481237 471136 a-Alanine, conf. I
252860.6026 0.2606 -4.9888 3 245.3935279 89502 303462719 452718 a-Alanine, conf. I
252860.6026 0.2606 -4.9888 3 245.3935279 89502 303462720 452719 a-Alanine, conf. I
252897.5538 0.2887 -4.7100 3 232.1816333 89502 30355 154 54 153 a-Alanine, conf. I
252897.5538 0.2887 -4.0854 3 232.1816333 89502 30355 154 54 253 a-Alanine, conf. I
252897.5538 0.2887 -4.0854 3 232.1816333 89502 30355 254 54 153 a-Alanine, conf. I
252897.5538 0.2887 -4.7100 3 232.1816333 89502 30355 254 54 253 a-Alanine, conf. I
252917.3120 0.8450 -5.5439 3 772.3513465 89502 303775522 775423 a-Alanine, conf. I
252917.3120 0.8450 -5.5439 3 772.3513465 89502 303775523 775424 a-Alanine, conf. I
252920.7242 0.4565 -4.8259 3 210.0585273 89502 303451927 441926 a-Alanine, conf. I
252966.5475 0.1186 -5.6205 3 101.6038207 89502 30334 628 33 528 a-Alanine, conf. I
252966.5764 0.1186 -5.6205 3 101.6038207 89502 30334 728 33 628 a-Alanine, conf. I
252995.8504 2.2463 -5.9546 3 1081.0619579 89502 303965640 965541 a-Alanine, conf. I
252995.8504 2.2463 -5.9546 3 1081.0619579 89502 303965641 965542 a-Alanine, conf. I
253005.6909 3.9085 -5.8845 3 537.3277501 89502 30383 281 83 182 a-Alanine, conf. I
253005.6909 3.9085 -5.8845 3 537.3277501 89502 30383 381 83 282 a-Alanine, conf. I
253032.1943 3.4571 -5.6511 3 615.3913525 89502 30387 582 87 483 a-Alanine, conf. I
253032.1943 3.4571 -5.6511 3 615.3913525 89502 30387 682 87 583 a-Alanine, conf. I
253047.8924 0.0271 -5.3396 3 103.1421171 89502 3032822 6 2721 6 a-Alanine, conf. I
253047.8924 0.0271 -4.2229 3 103.1421171 89502 3032822 6 2721 7 a-Alanine, conf. I
253047.8924 0.0271 -4.2229 3 103.1421171 89502 3032822 7 2721 6 a-Alanine, conf. I
253047.8924 0.0271 -5.3396 3 103.1421171 89502 3032822 7 2721 7 a-Alanine, conf. I
253097.5822 0.8053 -5.5319 3 758.3768459 89502 303765521 765422 a-Alanine, conf. I
253097.5822 0.8053 -5.5319 3 758.3768459 89502 303765522 765423 a-Alanine, conf. I
253145.2549 4.2808 -6.0498 3 1096.0291657 89502 303A92089 A91990 a-Alanine, conf. I
253145.2549 4.2808 -6.0498 3 1096.0291657 89502 303A92189 A92090 a-Alanine, conf. I
253243.7039 2.2419 -6.1396 3 359.2174357 89502 303592337 592040 a-Alanine, conf. I
253268.9189 0.2808 -4.9627 3 241.3720279 89502 303462621 452620 a-Alanine, conf. I
253268.9190 0.2808 -4.9627 3 241.3720279 89502 303462620 452619 a-Alanine, conf. I
253270.4162 0.7708 -5.5212 3 744.5856453 89502 303755520 755421 a-Alanine, conf. I
253270.4162 0.7708 -5.5212 3 744.5856453 89502 303755521 755422 a-Alanine, conf. I
253294.7067 2.8741 -5.6493 3 758.6214567 89502 303941084 94 985 a-Alanine, conf. I
253294.7067 2.8741 -5.6493 3 758.6214567 89502 303941184 941085 a-Alanine, conf. I
253296.2059 0.1759 -4.7349 3 230.8131321 89502 30353 449 52 448 a-Alanine, conf. I
253296.2059 0.1759 -4.1487 3 230.8131321 89502 30353 449 52 548 a-Alanine, conf. I
253296.2059 0.1759 -4.1487 3 230.8131321 89502 30353 549 52 448 a-Alanine, conf. I
253296.2059 0.1759 -4.7349 3 230.8131321 89502 30353 549 52 548 a-Alanine, conf. I
253297.4636 2.7066 -5.4651 3 442.4908393 89502 303652739 642836 a-Alanine, conf. I
253340.5345 2.1415 -5.9270 3 1063.6024573 89502 303955639 955540 a-Alanine, conf. I
253340.5345 2.1415 -5.9270 3 1063.6024573 89502 303955640 955541 a-Alanine, conf. I
253386.7468 0.5307 -4.8243 3 210.0727273 89502 303451926 441925 a-Alanine, conf. I
253436.0241 0.7417 -5.5119 3 730.9778447 89502 303745519 745420 a-Alanine, conf. I
253436.0241 0.7417 -5.5119 3 730.9778447 89502 303745520 745421 a-Alanine, conf. I
253518.5374 0.7287 -5.1668 3 93.7118189 89502 303311120 301021 a-Alanine, conf. I
253531.1991 0.2852 -5.4550 3 117.3265213 89502 303351025 34 925 a-Alanine, conf. I
253532.3732 0.6970 -4.6604 3 211.6047279 89502 303461531 451630 a-Alanine, conf. I
253594.6114 0.7182 -5.5039 3 717.5532441 89502 303735518 735419 a-Alanine, conf. I
253594.6114 0.7182 -5.5039 3 717.5532441 89502 303735519 735420 a-Alanine, conf. I
253637.7760 2.8719 -5.4638 3 442.4902393 89502 303652738 642837 a-Alanine, conf. I
253643.8267 3.6242 -5.9460 3 1024.6285639 89502 303A61888 A61789 a-Alanine, conf. I
253643.8267 3.6242 -5.9460 3 1024.6285639 89502 303A61988 A61889 a-Alanine, conf. I
253645.6293 0.1593 -4.7567 3 227.5773309 89502 30351 744 50 743 a-Alanine, conf. I
253645.6293 0.1593 -4.2226 3 227.5773309 89502 30351 744 50 843 a-Alanine, conf. I
253645.6293 0.1593 -4.2226 3 227.5773309 89502 30351 844 50 743 a-Alanine, conf. I
253645.6293 0.1593 -4.7567 3 227.5773309 89502 30351 844 50 843 a-Alanine, conf. I
253650.4896 0.2182 -4.5458 3 209.2555279 89502 303461432 451531 a-Alanine, conf. I
253658.2635 0.3180 -4.6300 3 131.7032219 89502 303361522 351421 a-Alanine, conf. I
253673.5789 2.0402 -5.9001 3 1046.3273567 89502 303945638 945539 a-Alanine, conf. I
253673.5789 2.0402 -5.9001 3 1046.3273567 89502 303945639 945540 a-Alanine, conf. I
253686.1197 0.7924 -4.7884 3 197.2997267 89502 303441727 431726 a-Alanine, conf. I
253706.7511 2.8059 -5.7013 3 822.1503585 89502 303971285 971186 a-Alanine, conf. I
253706.7511 2.8059 -5.7013 3 822.1503585 89502 303971385 971286 a-Alanine, conf. I
253712.6097 0.1382 -4.7722 3 194.3313267 89502 303441529 431528 a-Alanine, conf. I
253737.4623 0.0302 -5.3479 3 105.0704177 89502 3032921 8 2820 8 a-Alanine, conf. I
253737.4623 0.0302 -4.2523 3 105.0704177 89502 3032921 8 2820 9 a-Alanine, conf. I
253737.4623 0.0302 -4.2523 3 105.0704177 89502 3032921 9 2820 8 a-Alanine, conf. I
253737.4623 0.0302 -5.3479 3 105.0704177 89502 3032921 9 2820 9 a-Alanine, conf. I
253738.0693 0.3032 -4.9380 3 237.5268279 89502 303462522 452521 a-Alanine, conf. I
253738.0701 0.3032 -4.9380 3 237.5268279 89502 303462521 452520 a-Alanine, conf. I
253746.3796 0.7004 -5.4975 3 704.3117435 89502 303725517 725418 a-Alanine, conf. I
253746.3796 0.7004 -5.4975 3 704.3117435 89502 303725518 725419 a-Alanine, conf. I
253848.3428 0.2625 -5.4540 3 117.3298213 89502 303351125 341025 a-Alanine, conf. I
253878.0430 0.5366 -6.1188 3 100.9668195 89502 303321220 311021 a-Alanine, conf. I
253885.9404 0.6819 -4.7012 3 145.8037231 89502 303381524 371423 a-Alanine, conf. I
253891.5265 0.6886 -5.4928 3 691.2534429 89502 303715516 715417 a-Alanine, conf. I
253891.5265 0.6886 -5.4928 3 691.2534429 89502 303715517 715418 a-Alanine, conf. I
253893.9341 3.1569 -5.8523 3 955.1703621 89502 303A31687 A31588 a-Alanine, conf. I
253893.9341 3.1569 -5.8523 3 955.1703621 89502 303A31787 A31688 a-Alanine, conf. I
253910.4775 2.8879 -5.7700 3 887.6719603 89502 303A01486 A01387 a-Alanine, conf. I
253910.4775 2.8879 -5.7700 3 887.6719603 89502 303A01586 A01487 a-Alanine, conf. I
253914.1886 3.2153 -5.6254 3 674.2024543 89502 30390 783 90 684 a-Alanine, conf. I
253914.1886 3.2153 -5.6254 3 674.2024543 89502 30390 883 90 784 a-Alanine, conf. I
253995.2886 1.9421 -5.8739 3 1029.2364561 89502 303935637 935538 a-Alanine, conf. I
253995.2886 1.9421 -5.8739 3 1029.2364561 89502 303935638 935539 a-Alanine, conf. I
254002.0173 4.1081 -6.1375 3 516.2549495 89502 30382 181 82 082 a-Alanine, conf. I
254002.0173 4.1081 -6.1375 3 516.2549495 89502 30382 281 82 182 a-Alanine, conf. I
254030.2454 0.6824 -5.4900 3 678.3781423 89502 303705515 705416 a-Alanine, conf. I
254030.2454 0.6824 -5.4900 3 678.3781423 89502 303705516 705417 a-Alanine, conf. I
254036.2598 1.5300 -4.7877 3 222.4914285 89502 303471631 461730 a-Alanine, conf. I
254064.8227 0.4463 -4.8074 3 207.6047273 89502 303451828 441827 a-Alanine, conf. I
254083.0054 0.6304 -5.3790 3 136.1164225 89502 303371324 361224 a-Alanine, conf. I
254096.1254 0.1650 -4.3162 3 222.3984297 89502 303491039 481138 a-Alanine, conf. I
254096.1289 0.1650 -4.7741 3 222.3984297 89502 303491139 481138 a-Alanine, conf. I
254096.1340 0.1650 -4.7741 3 222.3984297 89502 303491039 481038 a-Alanine, conf. I
254096.1374 0.1650 -4.3162 3 222.3984297 89502 303491139 481038 a-Alanine, conf. I
254102.5997 0.1798 -5.5374 3 65.9389165 89502 30327 720 26 621 a-Alanine, conf. I
254120.6389 0.1127 -5.6832 3 98.8240207 89502 30334 529 33 429 a-Alanine, conf. I
254120.6402 0.1127 -5.6832 3 98.8240207 89502 30334 629 33 529 a-Alanine, conf. I
254139.6918 3.6541 -5.6979 3 593.3991519 89502 30386 482 86 383 a-Alanine, conf. I
254139.6918 3.6541 -5.6979 3 593.3991519 89502 30386 582 86 483 a-Alanine, conf. I
254162.7264 0.6818 -5.4891 3 665.6857417 89502 303695514 695415 a-Alanine, conf. I
254162.7264 0.6818 -5.4891 3 665.6857417 89502 303695515 695416 a-Alanine, conf. I
254235.4230 0.3589 -4.6992 3 235.0216339 89502 30356 056 55 055 a-Alanine, conf. I
254235.4230 0.3589 -4.0639 3 235.0216339 89502 30356 056 55 155 a-Alanine, conf. I
254235.4230 0.3589 -4.0639 3 235.0216339 89502 30356 156 55 055 a-Alanine, conf. I
254235.4230 0.3589 -4.6992 3 235.0216339 89502 30356 156 55 155 a-Alanine, conf. I
254282.8417 0.3281 -4.9144 3 233.8618279 89502 303462423 452422 a-Alanine, conf. I
254282.8541 0.3281 -4.9144 3 233.8618279 89502 303462422 452421 a-Alanine, conf. I
254289.1556 0.6865 -5.4906 3 653.1763411 89502 303685513 685414 a-Alanine, conf. I
254289.1556 0.6865 -5.4906 3 653.1763411 89502 303685514 685415 a-Alanine, conf. I
254294.6191 0.3521 -4.7946 3 205.3470273 89502 303451729 441728 a-Alanine, conf. I
254305.9602 1.8472 -5.8484 3 1012.3298555 89502 303925636 925537 a-Alanine, conf. I
254305.9602 1.8472 -5.8484 3 1012.3298555 89502 303925637 925538 a-Alanine, conf. I
254315.3895 0.1635 -4.7862 3 209.2555279 89502 303461532 451531 a-Alanine, conf. I
254322.1748 0.1723 -5.5369 3 65.9388165 89502 30327 820 26 521 a-Alanine, conf. I
254376.8941 4.7141 -6.1193 3 1141.8521669 89502 303B12190 B12091 a-Alanine, conf. I
254376.8941 4.7141 -6.1193 3 1141.8521669 89502 303B12290 B12191 a-Alanine, conf. I
254382.8537 0.0346 -5.3555 3 107.3658183 89502 303302010 291910 a-Alanine, conf. I
254382.8537 0.0346 -4.2847 3 107.3658183 89502 303302011 291910 a-Alanine, conf. I
254382.8538 0.0346 -4.2847 3 107.3658183 89502 303302010 291911 a-Alanine, conf. I
254382.8538 0.0346 -5.3555 3 107.3658183 89502 303302011 291911 a-Alanine, conf. I
254409.7157 0.6959 -5.4945 3 640.8497405 89502 303675512 675413 a-Alanine, conf. I
254409.7157 0.6959 -5.4945 3 640.8497405 89502 303675513 675414 a-Alanine, conf. I
254450.6641 3.0260 -5.9256 3 651.9316465 89502 303773840 763937 a-Alanine, conf. I
254450.6642 3.0260 -5.9256 3 651.9316465 89502 303773839 763938 a-Alanine, conf. I
254451.3198 0.4977 -4.6671 3 138.6330225 89502 303371523 361422 a-Alanine, conf. I
254462.2702 3.0677 -5.9720 3 671.9266471 89502 303783939 774038 a-Alanine, conf. I
254462.2702 3.0677 -5.9720 3 671.9266471 89502 303783940 774037 a-Alanine, conf. I
254491.4551 2.9874 -5.8798 3 632.2763459 89502 303763740 753837 a-Alanine, conf. I
254491.4556 2.9874 -5.8798 3 632.2763459 89502 303763739 753838 a-Alanine, conf. I
254519.5146 3.1122 -6.0190 3 692.2606477 89502 303794039 784138 a-Alanine, conf. I
254519.5146 3.1122 -6.0190 3 692.2606477 89502 303794040 784137 a-Alanine, conf. I
254524.5859 0.7097 -5.5014 3 628.7059399 89502 303665511 665412 a-Alanine, conf. I
254524.5859 0.7097 -5.5014 3 628.7059399 89502 303665512 665413 a-Alanine, conf. I
254592.7866 2.9526 -5.8345 3 612.9612453 89502 303753640 743737 a-Alanine, conf. I
254592.7888 2.9526 -5.8345 3 612.9612453 89502 303753639 743738 a-Alanine, conf. I
254605.8823 1.7556 -5.8236 3 995.6072549 89502 303915635 915536 a-Alanine, conf. I
254605.8823 1.7556 -5.8236 3 995.6072549 89502 303915636 915537 a-Alanine, conf. I
254613.5021 3.0105 -5.6413 3 735.0428561 89502 30393 984 93 885 a-Alanine, conf. I
254613.5021 3.0105 -5.6413 3 735.0428561 89502 303931084 93 985 a-Alanine, conf. I
254616.7312 3.1591 -6.0666 3 712.9333483 89502 303804139 794238 a-Alanine, conf. I
254616.7312 3.1591 -6.0666 3 712.9333483 89502 303804140 794237 a-Alanine, conf. I
254633.9421 0.7272 -5.5117 3 616.7448393 89502 303655510 655411 a-Alanine, conf. I
254633.9421 0.7272 -5.5117 3 616.7448393 89502 303655511 655412 a-Alanine, conf. I
254670.4418 0.2045 -4.7249 3 234.2731327 89502 30354 351 53 350 a-Alanine, conf. I
254670.4418 0.2045 -4.1244 3 234.2731327 89502 30354 351 53 450 a-Alanine, conf. I
254670.4418 0.2045 -4.1244 3 234.2731327 89502 30354 451 53 350 a-Alanine, conf. I
254670.4418 0.2045 -4.7249 3 234.2731327 89502 30354 451 53 450 a-Alanine, conf. I
254737.9570 0.7481 -5.5258 3 604.9664387 89502 3036455 9 645410 a-Alanine, conf. I
254737.9570 0.7481 -5.5258 3 604.9664387 89502 303645510 645411 a-Alanine, conf. I
254740.1534 3.9193 -5.1067 3 275.7973315 89502 303521933 512032 a-Alanine, conf. I
254749.1271 3.2081 -6.1147 3 733.9441489 89502 303814239 804338 a-Alanine, conf. I
254749.1271 3.2081 -6.1147 3 733.9441489 89502 303814240 804337 a-Alanine, conf. I
254764.5826 2.9223 -5.7898 3 593.9872447 89502 303743540 733637 a-Alanine, conf. I
254764.5932 2.9223 -5.7898 3 593.9872447 89502 303743539 733638 a-Alanine, conf. I
254789.7327 2.6749 -5.4273 3 426.8091387 89502 303642639 632736 a-Alanine, conf. I
254836.8001 0.7717 -5.5447 3 593.3706381 89502 3036355 8 6354 9 a-Alanine, conf. I
254836.8001 0.7717 -5.5447 3 593.3706381 89502 3036355 9 635410 a-Alanine, conf. I
254895.3357 1.6671 -5.7994 3 979.0687543 89502 303905634 905535 a-Alanine, conf. I
254895.3357 1.6671 -5.7994 3 979.0687543 89502 303905635 905536 a-Alanine, conf. I
254923.9581 0.3564 -4.8919 3 230.3821279 89502 303462324 452323 a-Alanine, conf. I
254924.1230 0.3564 -4.8919 3 230.3821279 89502 303462323 452322 a-Alanine, conf. I
254930.6376 0.7977 -5.5692 3 581.9574375 89502 3036255 7 6254 8 a-Alanine, conf. I
254930.6376 0.7977 -5.5692 3 581.9574375 89502 3036255 8 6254 9 a-Alanine, conf. I
254932.5190 0.1597 -4.7838 3 209.2128279 89502 303461432 451431 a-Alanine, conf. I
254953.5891 0.0396 -4.3213 3 110.0379189 89502 303311913 301812 a-Alanine, conf. I
254953.5897 0.0396 -5.3623 3 110.0379189 89502 303311912 301812 a-Alanine, conf. I
254953.5930 0.0396 -5.3623 3 110.0379189 89502 303311913 301813 a-Alanine, conf. I
254953.5937 0.0396 -4.3213 3 110.0379189 89502 303311912 301813 a-Alanine, conf. I
254955.8009 3.8539 -5.3537 3 385.0710369 89502 303612437 602536 a-Alanine, conf. I
255007.4182 3.9683 -6.0103 3 1069.1604651 89502 303A81989 A81890 a-Alanine, conf. I
255007.4182 3.9683 -6.0103 3 1069.1604651 89502 303A82089 A81990 a-Alanine, conf. I
255019.0928 2.8972 -5.7457 3 575.3550441 89502 303733440 723537 a-Alanine, conf. I
255019.1414 2.8973 -5.7457 3 575.3550441 89502 303733439 723538 a-Alanine, conf. I
255019.6330 0.8256 -5.6009 3 570.7266369 89502 3036155 6 6154 7 a-Alanine, conf. I
255019.6330 0.8256 -5.6009 3 570.7266369 89502 3036155 7 6154 8 a-Alanine, conf. I
255028.4075 0.1617 -4.7477 3 231.6688315 89502 30352 646 51 645 a-Alanine, conf. I
255028.4075 0.1617 -4.1935 3 231.6688315 89502 30352 646 51 745 a-Alanine, conf. I
255028.4075 0.1617 -4.1935 3 231.6688315 89502 30352 746 51 645 a-Alanine, conf. I
255028.4075 0.1617 -4.7477 3 231.6688315 89502 30352 746 51 745 a-Alanine, conf. I
255103.9466 0.8550 -5.6419 3 559.6783363 89502 3036055 5 6054 6 a-Alanine, conf. I
255103.9466 0.8550 -5.6419 3 559.6783363 89502 3036055 6 6054 7 a-Alanine, conf. I
255103.9813 3.4013 -5.6407 3 651.5198537 89502 30389 683 89 584 a-Alanine, conf. I
255103.9813 3.4013 -5.6407 3 651.5198537 89502 30389 783 89 684 a-Alanine, conf. I
255108.5410 0.1639 -4.4570 3 215.0697285 89502 303471334 461433 a-Alanine, conf. I
255120.7511 2.8813 -5.6837 3 797.8982579 89502 303961185 961086 a-Alanine, conf. I
255120.7511 2.8813 -5.6837 3 797.8982579 89502 303961285 961186 a-Alanine, conf. I
255136.2130 0.1229 -5.7639 3 95.9065207 89502 30334 430 33 330 a-Alanine, conf. I
255136.2131 0.1229 -5.7639 3 95.9065207 89502 30334 530 33 430 a-Alanine, conf. I
255148.2054 0.1632 -4.7836 3 215.0697285 89502 303471434 461433 a-Alanine, conf. I
255174.5938 1.5819 -5.7761 3 962.7142537 89502 303895633 895534 a-Alanine, conf. I
255174.5938 1.5819 -5.7761 3 962.7142537 89502 303895634 895535 a-Alanine, conf. I
255183.7359 0.8856 -5.6953 3 548.8124357 89502 3035955 4 5954 5 a-Alanine, conf. I
255183.7359 0.8856 -5.6953 3 548.8124357 89502 3035955 5 5954 6 a-Alanine, conf. I
255192.4659 0.1629 -4.7834 3 215.0669285 89502 303471334 461333 a-Alanine, conf. I
255202.5296 0.0519 -4.4850 3 120.5074207 89502 303341619 331518 a-Alanine, conf. I
255211.7847 3.8551 -5.7733 3 571.6267513 89502 30385 382 85 283 a-Alanine, conf. I
255211.7847 3.8551 -5.7733 3 571.6267513 89502 30385 482 85 383 a-Alanine, conf. I
255225.9136 0.0995 -6.1107 3 102.1683195 89502 303321319 311120 a-Alanine, conf. I
255232.1303 0.1628 -4.4565 3 215.0669285 89502 303471434 461333 a-Alanine, conf. I
255259.1556 0.9172 -5.7669 3 538.1287351 89502 3035855 3 5854 4 a-Alanine, conf. I
255259.1556 0.9172 -5.7669 3 538.1287351 89502 3035855 4 5854 5 a-Alanine, conf. I
255270.5451 0.0528 -5.3785 3 120.5074207 89502 303341618 331518 a-Alanine, conf. I
255280.0414 0.0870 -5.3806 3 124.8923213 89502 303351521 341421 a-Alanine, conf. I
255290.7378 0.3568 -6.0943 3 354.3975285 89502 3034745 2 4645 1 a-Alanine, conf. I
255290.7378 0.3568 -6.0943 3 354.3975285 89502 3034745 3 4645 2 a-Alanine, conf. I
255320.1415 0.9865 -5.3782 3 382.0041369 89502 303612339 602436 a-Alanine, conf. I
255330.3574 0.9494 -5.8667 3 527.6274345 89502 3035755 2 5754 3 a-Alanine, conf. I
255330.3574 0.9494 -5.8667 3 527.6274345 89502 3035755 3 5754 4 a-Alanine, conf. I
255366.1697 0.3312 -5.9082 3 347.4403285 89502 3034744 3 4644 2 a-Alanine, conf. I
255366.1697 0.3312 -5.9082 3 347.4403285 89502 3034744 4 4644 3 a-Alanine, conf. I
255371.6492 2.8787 -5.7020 3 557.0656435 89502 303723340 713437 a-Alanine, conf. I
255371.8651 2.8789 -5.7020 3 557.0656435 89502 303723339 713438 a-Alanine, conf. I
255382.2308 3.4073 -5.9107 3 998.4015633 89502 303A51788 A51689 a-Alanine, conf. I
255382.2308 3.4073 -5.9107 3 998.4015633 89502 303A51888 A51789 a-Alanine, conf. I
255396.2601 0.0450 -4.3639 3 113.1010195 89502 303321815 311714 a-Alanine, conf. I
255396.3081 0.0450 -5.3684 3 113.1010195 89502 303321814 311714 a-Alanine, conf. I
255396.5144 0.0450 -5.3684 3 113.1010195 89502 303321815 311715 a-Alanine, conf. I
255396.5623 0.0450 -4.3639 3 113.1010195 89502 303321814 311715 a-Alanine, conf. I
255397.4906 0.9822 -6.0180 3 517.3082339 89502 3035655 1 5654 2 a-Alanine, conf. I
255397.4906 0.9822 -6.0180 3 517.3082339 89502 3035655 2 5654 3 a-Alanine, conf. I
255416.1746 0.1667 -4.2780 3 227.1555303 89502 30350 941 491040 a-Alanine, conf. I
255416.1747 0.1667 -4.7666 3 227.1555303 89502 303501041 491040 a-Alanine, conf. I
255416.1748 0.1667 -4.7666 3 227.1555303 89502 30350 941 49 940 a-Alanine, conf. I
255416.1748 0.1667 -4.2780 3 227.1555303 89502 303501041 49 940 a-Alanine, conf. I
255425.6795 2.8770 -5.7453 3 862.7536597 89502 303991386 991287 a-Alanine, conf. I
255425.6795 2.8770 -5.7453 3 862.7536597 89502 303991486 991387 a-Alanine, conf. I
255443.9233 1.4998 -5.7534 3 946.5437531 89502 303885632 885533 a-Alanine, conf. I
255443.9233 1.4998 -5.7534 3 946.5437531 89502 303885633 885534 a-Alanine, conf. I
255447.9284 0.3070 -5.7736 3 340.6419285 89502 3034743 4 4643 3 a-Alanine, conf. I
255447.9284 0.3070 -5.7736 3 340.6419285 89502 3034743 5 4643 4 a-Alanine, conf. I
255464.9300 0.0573 -5.3779 3 120.4986207 89502 303341619 331519 a-Alanine, conf. I
255517.0047 3.0437 -5.8218 3 929.5935615 89502 303A21587 A21488 a-Alanine, conf. I
255517.0047 3.0437 -5.8218 3 929.5935615 89502 303A21687 A21588 a-Alanine, conf. I
255532.9455 0.0603 -4.4841 3 120.4986207 89502 303341618 331519 a-Alanine, conf. I
255536.6188 0.2845 -5.6674 3 334.0026285 89502 3034742 5 4642 4 a-Alanine, conf. I
255536.6188 0.2845 -5.6674 3 334.0026285 89502 3034742 6 4642 5 a-Alanine, conf. I
255582.9420 0.0985 -5.8289 3 57.4135159 89502 30326 521 25 422 a-Alanine, conf. I
255585.8989 0.0984 -5.8289 3 57.4135159 89502 30326 621 25 322 a-Alanine, conf. I
255597.4189 0.2054 -4.5382 3 209.2128279 89502 303461532 451431 a-Alanine, conf. I
255603.6834 0.0504 -4.4159 3 116.5772201 89502 303331717 321616 a-Alanine, conf. I
255605.9358 0.0505 -5.3736 3 116.5772201 89502 303331716 321616 a-Alanine, conf. I
255614.0211 0.0507 -5.3736 3 116.5769201 89502 303331717 321617 a-Alanine, conf. I
255616.2735 0.0508 -4.4159 3 116.5769201 89502 303331716 321617 a-Alanine, conf. I
255632.9253 0.2639 -5.5793 3 327.5227285 89502 3034741 6 4641 5 a-Alanine, conf. I
255632.9253 0.2639 -5.5793 3 327.5227285 89502 3034741 7 4641 6 a-Alanine, conf. I
255691.4840 0.3891 -4.8703 3 227.0946279 89502 303462225 452224 a-Alanine, conf. I
255693.3568 0.3896 -4.8703 3 227.0946279 89502 303462224 452223 a-Alanine, conf. I
255703.5838 1.4209 -5.7316 3 930.5569525 89502 303875631 875532 a-Alanine, conf. I
255703.5838 1.4209 -5.7316 3 930.5569525 89502 303875632 875533 a-Alanine, conf. I
255737.6243 0.2453 -5.5038 3 321.2024285 89502 3034740 7 4640 6 a-Alanine, conf. I
255737.6243 0.2453 -5.5038 3 321.2024285 89502 3034740 8 4640 7 a-Alanine, conf. I
255841.7013 2.8683 -5.6589 3 539.1201429 89502 303713240 703337 a-Alanine, conf. I
255842.6269 2.8691 -5.6589 3 539.1201429 89502 303713239 703338 a-Alanine, conf. I
255851.6009 0.2293 -5.4376 3 315.0422285 89502 3034739 8 4639 7 a-Alanine, conf. I
255851.6009 0.2293 -5.4376 3 315.0422285 89502 3034739 9 4639 8 a-Alanine, conf. I
255890.2947 3.1706 -5.6392 3 711.6764555 89502 30392 884 92 785 a-Alanine, conf. I
255890.2947 3.1706 -5.6392 3 711.6764555 89502 30392 984 92 885 a-Alanine, conf. I
255906.1208 3.1596 -5.4231 3 426.8067387 89502 303642638 632737 a-Alanine, conf. I
255953.8289 1.3453 -5.7105 3 914.7540519 89502 303865630 865531 a-Alanine, conf. I
255953.8289 1.3453 -5.7105 3 914.7540519 89502 303865631 865532 a-Alanine, conf. I
255959.4756 0.2212 -5.4812 3 115.0673213 89502 30335 926 34 826 a-Alanine, conf. I
255975.8681 0.2161 -5.3786 3 309.0425285 89502 3034738 9 4638 8 a-Alanine, conf. I
255975.8681 0.2161 -5.3786 3 309.0425285 89502 303473810 4638 9 a-Alanine, conf. I
255995.1072 0.2185 -5.4811 3 115.0675213 89502 303351026 34 926 a-Alanine, conf. I
256033.3324 0.2478 -4.7148 3 237.5410333 89502 30355 253 54 252 a-Alanine, conf. I
256033.3324 0.2478 -4.1014 3 237.5410333 89502 30355 253 54 352 a-Alanine, conf. I
256033.3324 0.2478 -4.1014 3 237.5410333 89502 30355 353 54 252 a-Alanine, conf. I
256033.3324 0.2478 -4.7148 3 237.5410333 89502 30355 353 54 352 a-Alanine, conf. I
256040.7611 0.1456 -5.8728 3 92.8554207 89502 30334 331 33 231 a-Alanine, conf. I
256040.7611 0.1456 -5.8728 3 92.8554207 89502 30334 431 33 331 a-Alanine, conf. I
256111.5908 0.2062 -5.3254 3 303.2036285 89502 303473710 4637 9 a-Alanine, conf. I
256111.5908 0.2062 -5.3254 3 303.2036285 89502 303473711 463710 a-Alanine, conf. I
256143.7173 0.1674 -4.3950 3 220.5912291 89502 303481236 471335 a-Alanine, conf. I
256145.4163 0.1674 -4.7794 3 220.5912291 89502 303481336 471335 a-Alanine, conf. I
256147.5628 0.1674 -4.7794 3 220.5910291 89502 303481236 471235 a-Alanine, conf. I
256149.2618 0.1674 -4.3950 3 220.5910291 89502 303481336 471235 a-Alanine, conf. I
256194.9060 1.2731 -5.6903 3 899.1348513 89502 303855629 855530 a-Alanine, conf. I
256194.9060 1.2731 -5.6903 3 899.1348513 89502 303855630 855531 a-Alanine, conf. I
256203.9371 0.1263 -5.3745 3 131.7032219 89502 303361521 351421 a-Alanine, conf. I
256233.2658 2.4950 -5.3939 3 411.4907381 89502 303632539 622636 a-Alanine, conf. I
256249.7039 4.0585 -5.9003 3 550.0755507 89502 30384 282 84 183 a-Alanine, conf. I
256249.7039 4.0585 -5.9003 3 550.0755507 89502 30384 382 84 283 a-Alanine, conf. I
256255.9771 3.5967 -5.6688 3 629.0540531 89502 30388 583 88 484 a-Alanine, conf. I
256255.9771 3.5967 -5.6688 3 629.0540531 89502 30388 683 88 584 a-Alanine, conf. I
256260.1160 0.1997 -5.2769 3 297.5261285 89502 303473611 463610 a-Alanine, conf. I
256260.1160 0.1997 -5.2769 3 297.5261285 89502 303473612 463611 a-Alanine, conf. I
256294.5137 0.0414 -5.2988 3 104.0327159 89502 3032625 1 2524 1 a-Alanine, conf. I
256294.5137 0.0414 -4.1410 3 104.0327159 89502 3032625 1 2524 2 a-Alanine, conf. I
256294.5137 0.0414 -4.1410 3 104.0327159 89502 3032625 2 2524 1 a-Alanine, conf. I
256294.5137 0.0414 -5.2988 3 104.0327159 89502 3032625 2 2524 2 a-Alanine, conf. I
256305.3253 4.3578 -6.0777 3 1114.5394663 89502 303B02090 B01991 a-Alanine, conf. I
256305.3253 4.3578 -6.0777 3 1114.5394663 89502 303B02190 B02091 a-Alanine, conf. I
256400.8373 2.7462 -6.1100 3 1179.5021609 89502 303A15744 A15645 a-Alanine, conf. I
256400.8373 2.7462 -6.1100 3 1179.5021609 89502 303A15745 A15646 a-Alanine, conf. I
256412.2978 0.1696 -4.7384 3 235.5629321 89502 30353 548 52 547 a-Alanine, conf. I
256412.2978 0.1696 -4.1666 3 235.5629321 89502 30353 548 52 647 a-Alanine, conf. I
256412.2978 0.1696 -4.1666 3 235.5629321 89502 30353 648 52 547 a-Alanine, conf. I
256412.2978 0.1696 -4.7384 3 235.5629321 89502 30353 648 52 647 a-Alanine, conf. I
256423.0097 0.1971 -5.2323 3 292.0106285 89502 303473512 463511 a-Alanine, conf. I
256423.0097 0.1971 -5.2323 3 292.0106285 89502 303473513 463512 a-Alanine, conf. I
256427.0565 1.2043 -5.6709 3 883.6992507 89502 303845628 845529 a-Alanine, conf. I
256427.0565 1.2043 -5.6709 3 883.6992507 89502 303845629 845530 a-Alanine, conf. I
256436.4548 0.7433 -4.7988 3 207.6965273 89502 303451827 441826 a-Alanine, conf. I
256454.1173 2.8679 -5.6164 3 521.5199423 89502 303703140 693237 a-Alanine, conf. I
256457.9312 2.8706 -5.6164 3 521.5199423 89502 303703139 693238 a-Alanine, conf. I
256489.6854 2.9939 -5.6703 3 773.8547573 89502 303951085 95 986 a-Alanine, conf. I
256489.6854 2.9939 -5.6703 3 773.8547573 89502 303951185 951086 a-Alanine, conf. I
256503.1886 0.2209 -5.8776 3 67.0790159 89502 303261215 25 916 a-Alanine, conf. I
256540.0564 0.1763 -4.5876 3 124.8923213 89502 303351520 341421 a-Alanine, conf. I
256602.1046 0.1981 -5.1911 3 286.6578285 89502 303473413 463412 a-Alanine, conf. I
256602.1046 0.1981 -5.1911 3 286.6578285 89502 303473414 463413 a-Alanine, conf. I
256628.0923 0.4278 -4.8493 3 224.0087279 89502 303462126 452125 a-Alanine, conf. I
256630.0116 0.1969 -5.7035 3 72.1161165 89502 303271216 26 917 a-Alanine, conf. I
256646.1228 0.4315 -4.8492 3 224.0091279 89502 303462125 452124 a-Alanine, conf. I
256650.5167 1.1391 -5.6524 3 868.4473501 89502 303835627 835528 a-Alanine, conf. I
256650.5167 1.1391 -5.6524 3 868.4473501 89502 303835628 835529 a-Alanine, conf. I
256771.9092 0.1673 -4.7586 3 231.6996309 89502 30351 843 50 842 a-Alanine, conf. I
256771.9092 0.1673 -4.2441 3 231.6996309 89502 30351 843 50 942 a-Alanine, conf. I
256771.9092 0.1673 -4.2441 3 231.6996309 89502 30351 943 50 842 a-Alanine, conf. I
256771.9092 0.1673 -4.7586 3 231.6996309 89502 30351 943 50 942 a-Alanine, conf. I
256782.0829 2.6260 -6.0796 3 1161.1335603 89502 303A05743 A05644 a-Alanine, conf. I
256782.0829 2.6260 -6.0796 3 1161.1335603 89502 303A05744 A05645 a-Alanine, conf. I
256799.5610 0.2029 -5.1529 3 281.4684285 89502 303473314 463313 a-Alanine, conf. I
256799.5610 0.2029 -5.1529 3 281.4684285 89502 303473315 463314 a-Alanine, conf. I
256805.9305 4.4794 -5.1677 3 298.1925327 89502 303542034 532133 a-Alanine, conf. I
256808.1061 3.7042 -5.9726 3 1042.4847645 89502 303A71889 A71790 a-Alanine, conf. I
256808.1061 3.7042 -5.9726 3 1042.4847645 89502 303A71989 A71890 a-Alanine, conf. I
256854.2694 0.1761 -6.0330 3 89.6741207 89502 30334 232 33 132 a-Alanine, conf. I
256854.2694 0.1761 -6.0330 3 89.6741207 89502 30334 332 33 232 a-Alanine, conf. I
256865.5170 1.0777 -5.6348 3 853.3789495 89502 303825626 825527 a-Alanine, conf. I
256865.5170 1.0777 -5.6348 3 853.3789495 89502 303825627 825528 a-Alanine, conf. I
256874.3510 0.5060 -4.7614 3 195.7179267 89502 303441628 431627 a-Alanine, conf. I
256892.4098 2.9158 -5.7236 3 838.0404591 89502 303981286 981187 a-Alanine, conf. I
256892.4098 2.9158 -5.7236 3 838.0404591 89502 303981386 981287 a-Alanine, conf. I
256919.3106 1.9887 -5.3719 3 396.5477375 89502 303622439 612536 a-Alanine, conf. I
256986.8545 6.0102 -5.6912 3 429.8223393 89502 303652343 642440 a-Alanine, conf. I
257017.9453 0.2109 -5.1172 3 276.4433285 89502 303473215 463214 a-Alanine, conf. I
257017.9453 0.2109 -5.1172 3 276.4433285 89502 303473216 463215 a-Alanine, conf. I
257026.6533 0.2121 -6.0434 3 62.2193153 89502 303251214 24 915 a-Alanine, conf. I
257028.7913 0.0320 -5.3086 3 105.0829165 89502 3032724 3 2623 3 a-Alanine, conf. I
257028.7913 0.0320 -4.1651 3 105.0829165 89502 3032724 3 2623 4 a-Alanine, conf. I
257028.7913 0.0320 -4.1651 3 105.0829165 89502 3032724 4 2623 3 a-Alanine, conf. I
257028.7913 0.0320 -5.3086 3 105.0829165 89502 3032724 4 2623 4 a-Alanine, conf. I
257064.0493 3.2446 -5.8774 3 972.3717627 89502 303A41688 A41589 a-Alanine, conf. I
257064.0493 3.2446 -5.8774 3 972.3717627 89502 303A41788 A41689 a-Alanine, conf. I
257072.2831 1.0203 -5.6181 3 838.4939489 89502 303815625 815526 a-Alanine, conf. I
257072.2831 1.0203 -5.6181 3 838.4939489 89502 303815626 815527 a-Alanine, conf. I
257087.7903 2.9864 -5.7938 3 904.2180609 89502 303A11487 A11388 a-Alanine, conf. I
257087.7903 2.9864 -5.7938 3 904.2180609 89502 303A11587 A11488 a-Alanine, conf. I
257126.6720 3.3485 -5.6445 3 688.5235549 89502 30391 784 91 685 a-Alanine, conf. I
257126.6720 3.3485 -5.6445 3 688.5235549 89502 30391 884 91 785 a-Alanine, conf. I
257150.9979 2.5096 -6.0498 3 1142.9491597 89502 303995742 995643 a-Alanine, conf. I
257150.9979 2.5096 -6.0498 3 1142.9491597 89502 303995743 995644 a-Alanine, conf. I
257164.0203 0.1804 -4.7709 3 202.7942273 89502 303451530 441529 a-Alanine, conf. I
257240.3260 2.8793 -5.5744 3 504.2666417 89502 303693040 683137 a-Alanine, conf. I
257255.3850 2.8891 -5.5743 3 504.2666417 89502 303693039 683138 a-Alanine, conf. I
257260.3348 0.2220 -5.0837 3 271.5837285 89502 303473116 463115 a-Alanine, conf. I
257260.3348 0.2220 -5.0837 3 271.5837285 89502 303473117 463116 a-Alanine, conf. I
257271.0357 0.9671 -5.6025 3 823.7924483 89502 303805624 805525 a-Alanine, conf. I
257271.0357 0.9671 -5.6025 3 823.7924483 89502 303805625 805526 a-Alanine, conf. I
257315.2100 0.1712 -4.3455 3 225.8512297 89502 303491138 481237 a-Alanine, conf. I
257315.2650 0.1712 -4.7738 3 225.8512297 89502 303491238 481237 a-Alanine, conf. I
257315.3414 0.1712 -4.7738 3 225.8512297 89502 303491138 481137 a-Alanine, conf. I
257315.3964 0.1712 -4.3455 3 225.8512297 89502 303491238 481137 a-Alanine, conf. I
257371.5275 3.7984 -5.7151 3 606.8063525 89502 30387 483 87 384 a-Alanine, conf. I
257371.5275 3.7984 -5.7151 3 606.8063525 89502 30387 583 87 484 a-Alanine, conf. I
257382.3277 0.3061 -4.7045 3 240.6173339 89502 30356 155 55 154 a-Alanine, conf. I
257382.3277 0.3061 -4.0796 3 240.6173339 89502 30356 155 55 254 a-Alanine, conf. I
257382.3277 0.3061 -4.0796 3 240.6173339 89502 30356 255 55 154 a-Alanine, conf. I
257382.3277 0.3061 -4.7045 3 240.6173339 89502 30356 255 55 254 a-Alanine, conf. I
257461.9907 0.9183 -5.5879 3 809.2742477 89502 303795623 795524 a-Alanine, conf. I
257461.9907 0.9183 -5.5879 3 809.2742477 89502 303795624 795525 a-Alanine, conf. I
257493.3415 0.3022 -5.3974 3 127.7988219 89502 303361324 351224 a-Alanine, conf. I
257507.8997 2.3968 -6.0207 3 1124.9489591 89502 303985741 985642 a-Alanine, conf. I
257507.8997 2.3968 -6.0207 3 1124.9489591 89502 303985742 985643 a-Alanine, conf. I
257530.4582 0.2356 -5.0523 3 266.8906285 89502 303473017 463016 a-Alanine, conf. I
257530.4582 0.2356 -5.0523 3 266.8906285 89502 303473018 463017 a-Alanine, conf. I
257548.1330 0.2588 -5.4274 3 72.5846171 89502 30328 820 27 721 a-Alanine, conf. I
257585.0495 0.2065 -4.7818 3 211.6047279 89502 303461631 451630 a-Alanine, conf. I
257597.0971 0.2166 -5.3808 3 129.6512219 89502 303361423 351323 a-Alanine, conf. I
257645.3595 0.8743 -5.5745 3 794.9394471 89502 303785622 785523 a-Alanine, conf. I
257645.3595 0.8743 -5.5745 3 794.9394471 89502 303785623 785524 a-Alanine, conf. I
257657.5764 0.2146 -5.2980 3 81.1755177 89502 303291119 28 820 a-Alanine, conf. I
257752.8551 0.0286 -5.3178 3 106.4855171 89502 3032823 5 2722 5 a-Alanine, conf. I
257752.8551 0.0286 -4.1907 3 106.4855171 89502 3032823 5 2722 6 a-Alanine, conf. I
257752.8551 0.0286 -4.1907 3 106.4855171 89502 3032823 6 2722 5 a-Alanine, conf. I
257752.8551 0.0286 -5.3178 3 106.4855171 89502 3032823 6 2722 6 a-Alanine, conf. I
257774.7540 0.4702 -4.8289 3 221.1374279 89502 303462027 452026 a-Alanine, conf. I
257791.6222 0.1871 -4.7289 3 239.2622327 89502 30354 450 53 449 a-Alanine, conf. I
257791.6222 0.1871 -4.1416 3 239.2622327 89502 30354 450 53 549 a-Alanine, conf. I
257791.6222 0.1871 -4.1416 3 239.2622327 89502 30354 550 53 449 a-Alanine, conf. I
257791.6222 0.1871 -4.7289 3 239.2622327 89502 30354 550 53 549 a-Alanine, conf. I
257795.9885 0.1783 -5.5144 3 112.6339213 89502 30335 827 34 727 a-Alanine, conf. I
257799.0690 0.1780 -5.5144 3 112.6339213 89502 30335 927 34 827 a-Alanine, conf. I
257815.3216 3.1363 -5.6618 3 750.0216567 89502 30394 985 94 886 a-Alanine, conf. I
257815.3216 3.1363 -5.6618 3 750.0216567 89502 303941085 94 986 a-Alanine, conf. I
257821.3493 0.8353 -5.5622 3 780.7877465 89502 303775621 775522 a-Alanine, conf. I
257821.3493 0.8353 -5.5622 3 780.7877465 89502 303775622 775523 a-Alanine, conf. I
257832.8882 0.2517 -5.0227 3 262.3658285 89502 303472918 462917 a-Alanine, conf. I
257832.8882 0.2517 -5.0227 3 262.3658285 89502 303472919 462918 a-Alanine, conf. I
257853.0964 2.2875 -5.9922 3 1107.1329585 89502 303975740 975641 a-Alanine, conf. I
257853.0964 2.2875 -5.9922 3 1107.1329585 89502 303975741 975642 a-Alanine, conf. I
257912.5181 0.5703 -5.2632 3 86.4761183 89502 303301020 29 921 a-Alanine, conf. I
257918.3257 0.4967 -4.8284 3 221.1414279 89502 303462026 452025 a-Alanine, conf. I
257990.1627 0.8017 -5.5511 3 766.8192459 89502 303765620 765521 a-Alanine, conf. I
257990.1627 0.8017 -5.5511 3 766.8192459 89502 303765621 765522 a-Alanine, conf. I
258017.2919 0.4414 -5.3479 3 144.5917231 89502 303381424 371324 a-Alanine, conf. I
258124.2827 0.1368 -5.5397 3 77.3062171 89502 303281217 27 918 a-Alanine, conf. I
258146.1497 0.1678 -4.7502 3 236.0380315 89502 30352 745 51 744 a-Alanine, conf. I
258146.1497 0.1678 -4.2135 3 236.0380315 89502 30352 745 51 844 a-Alanine, conf. I
258146.1497 0.1678 -4.2135 3 236.0380315 89502 30352 845 51 744 a-Alanine, conf. I
258146.1497 0.1678 -4.7502 3 236.0380315 89502 30352 845 51 844 a-Alanine, conf. I
258151.9987 0.7736 -5.5414 3 753.0338453 89502 303755619 755520 a-Alanine, conf. I
258151.9987 0.7736 -5.5414 3 753.0338453 89502 303755620 755521 a-Alanine, conf. I
258170.0280 4.0474 -6.0377 3 1087.4175657 89502 303A91990 A91891 a-Alanine, conf. I
258170.0280 4.0474 -6.0377 3 1087.4175657 89502 303A92090 A91991 a-Alanine, conf. I
258173.3138 0.2698 -4.9948 3 258.0108285 89502 303472819 462818 a-Alanine, conf. I
258173.3138 0.2698 -4.9948 3 258.0108285 89502 303472820 462819 a-Alanine, conf. I
258186.8872 2.1816 -5.9643 3 1089.5009579 89502 303965739 965640 a-Alanine, conf. I
258186.8872 2.1816 -5.9643 3 1089.5009579 89502 303965740 965641 a-Alanine, conf. I
258237.3827 2.9022 -5.5329 3 487.3623411 89502 303682940 673037 a-Alanine, conf. I
258254.7472 0.3928 -5.4198 3 125.7834219 89502 303361125 351025 a-Alanine, conf. I
258294.1223 2.9361 -5.5327 3 487.3622411 89502 303682939 673038 a-Alanine, conf. I
258307.0521 0.7514 -5.5331 3 739.4315447 89502 303745618 745519 a-Alanine, conf. I
258307.0521 0.7514 -5.5331 3 739.4315447 89502 303745619 745520 a-Alanine, conf. I
258312.6488 2.9983 -5.7056 3 813.5339585 89502 303971186 971087 a-Alanine, conf. I
258312.6488 2.9983 -5.7056 3 813.5339585 89502 303971286 971187 a-Alanine, conf. I
258324.1253 3.5396 -5.6593 3 665.5857543 89502 30390 684 90 585 a-Alanine, conf. I
258324.1253 3.5396 -5.6593 3 665.5857543 89502 30390 784 90 685 a-Alanine, conf. I
258344.2791 0.5690 -4.7421 3 123.0858213 89502 303351421 341322 a-Alanine, conf. I
258384.5215 0.1906 -4.5141 3 217.7386285 89502 303471433 461532 a-Alanine, conf. I
258451.9087 4.0042 -5.7899 3 584.7781519 89502 30386 383 86 284 a-Alanine, conf. I
258451.9087 4.0042 -5.7899 3 584.7781519 89502 30386 483 86 384 a-Alanine, conf. I
258455.5141 0.7350 -5.5264 3 726.0122441 89502 303735617 735518 a-Alanine, conf. I
258455.5141 0.7350 -5.5264 3 726.0122441 89502 303735618 735519 a-Alanine, conf. I
258458.3009 0.0300 -5.3264 3 108.2449177 89502 3032922 7 2821 7 a-Alanine, conf. I
258458.3009 0.0300 -4.2182 3 108.2449177 89502 3032922 7 2821 8 a-Alanine, conf. I
258458.3009 0.0300 -4.2182 3 108.2449177 89502 3032922 8 2821 7 a-Alanine, conf. I
258458.3009 0.0300 -5.3264 3 108.2449177 89502 3032922 8 2821 8 a-Alanine, conf. I
258478.6184 0.2257 -5.4255 3 72.5840171 89502 30328 920 27 621 a-Alanine, conf. I
258509.5633 2.0791 -5.9371 3 1072.0530573 89502 303955738 955639 a-Alanine, conf. I
258509.5633 2.0791 -5.9371 3 1072.0530573 89502 303955739 955640 a-Alanine, conf. I
258550.2234 3.4922 -5.9368 3 1016.0042639 89502 303A61789 A61690 a-Alanine, conf. I
258550.2234 3.4922 -5.9368 3 1016.0042639 89502 303A61889 A61790 a-Alanine, conf. I
258558.9338 0.2900 -4.9683 3 253.8281285 89502 303472720 462719 a-Alanine, conf. I
258558.9338 0.2900 -4.9683 3 253.8281285 89502 303472721 462720 a-Alanine, conf. I
258585.6535 0.1740 -4.3036 3 230.8742303 89502 303501040 491139 a-Alanine, conf. I
258585.6548 0.1740 -4.7672 3 230.8742303 89502 303501140 491139 a-Alanine, conf. I
258585.6569 0.1740 -4.7672 3 230.8742303 89502 303501040 491039 a-Alanine, conf. I
258585.6583 0.1740 -4.3036 3 230.8742303 89502 303501140 491039 a-Alanine, conf. I
258597.5720 0.7246 -5.5213 3 712.7758435 89502 303725616 725517 a-Alanine, conf. I
258597.5720 0.7246 -5.5213 3 712.7758435 89502 303725617 725518 a-Alanine, conf. I
258608.5244 2.9831 -5.7685 3 879.0457603 89502 303A01387 A01288 a-Alanine, conf. I
258608.5244 2.9831 -5.7685 3 879.0457603 89502 303A01487 A01388 a-Alanine, conf. I
258621.4433 4.8650 -5.2192 3 321.4610339 89502 303562135 552234 a-Alanine, conf. I
258667.7655 0.8226 -4.9071 3 114.9669207 89502 303341321 331222 a-Alanine, conf. I
258691.8189 3.1383 -5.8465 3 946.5412621 89502 303A31588 A31489 a-Alanine, conf. I
258691.8189 3.1383 -5.8465 3 946.5412621 89502 303A31688 A31589 a-Alanine, conf. I
258715.3815 0.3791 -4.6941 3 243.5020345 89502 30357 057 56 056 a-Alanine, conf. I
258715.3815 0.3791 -4.0587 3 243.5020345 89502 30357 057 56 156 a-Alanine, conf. I
258715.3815 0.3791 -4.0587 3 243.5020345 89502 30357 157 56 056 a-Alanine, conf. I
258715.3815 0.3791 -4.6941 3 243.5020345 89502 30357 157 56 156 a-Alanine, conf. I
258720.4524 0.1699 -4.7792 3 217.7386285 89502 303471533 461532 a-Alanine, conf. I
258733.4098 0.7200 -5.5181 3 699.7223429 89502 303715615 715516 a-Alanine, conf. I
258733.4098 0.7200 -5.5181 3 699.7223429 89502 303715616 715517 a-Alanine, conf. I
258821.4079 1.9799 -5.9105 3 1054.7889567 89502 303945737 945638 a-Alanine, conf. I
258821.4079 1.9799 -5.9105 3 1054.7889567 89502 303945738 945639 a-Alanine, conf. I
258863.2079 0.7209 -5.5170 3 686.8516423 89502 303705614 705515 a-Alanine, conf. I
258863.2079 0.7209 -5.5170 3 686.8516423 89502 303705615 705516 a-Alanine, conf. I
258987.1435 0.7271 -5.5181 3 674.1637417 89502 303695613 695514 a-Alanine, conf. I
258987.1435 0.7271 -5.5181 3 674.1637417 89502 303695614 695515 a-Alanine, conf. I
258999.0473 0.3123 -4.9432 3 249.8202285 89502 303472622 462621 a-Alanine, conf. I
258999.0475 0.3123 -4.9432 3 249.8202285 89502 303472621 462620 a-Alanine, conf. I
259049.4214 0.1669 -4.7779 3 217.7164285 89502 303471433 461432 a-Alanine, conf. I
259061.1353 0.4957 -4.8092 3 218.4950279 89502 303461928 451927 a-Alanine, conf. I
259099.3144 3.3021 -5.6592 3 726.4002561 89502 30393 885 93 786 a-Alanine, conf. I
259099.3144 3.3021 -5.6592 3 726.4002561 89502 30393 985 93 886 a-Alanine, conf. I
259105.3903 0.7380 -5.5217 3 661.6585411 89502 303685612 685513 a-Alanine, conf. I
259105.3903 0.7380 -5.5217 3 661.6585411 89502 303685613 685514 a-Alanine, conf. I
259122.6966 1.8839 -5.8847 3 1037.7088561 89502 303935736 935637 a-Alanine, conf. I
259122.6966 1.8839 -5.8847 3 1037.7088561 89502 303935737 935638 a-Alanine, conf. I
259131.7775 0.0340 -5.3344 3 110.3668183 89502 3033021 9 2920 9 a-Alanine, conf. I
259131.7775 0.0340 -4.2483 3 110.3668183 89502 3033021 9 292010 a-Alanine, conf. I
259131.7775 0.0340 -4.2483 3 110.3668183 89502 303302110 2920 9 a-Alanine, conf. I
259131.7775 0.0340 -5.3344 3 110.3668183 89502 303302110 292010 a-Alanine, conf. I
259162.2349 0.2178 -4.7193 3 242.7680333 89502 30355 352 54 351 a-Alanine, conf. I
259162.2349 0.2178 -4.1180 3 242.7680333 89502 30355 352 54 451 a-Alanine, conf. I
259162.2349 0.2178 -4.1180 3 242.7680333 89502 30355 452 54 351 a-Alanine, conf. I
259162.2349 0.2178 -4.7193 3 242.7680333 89502 30355 452 54 451 a-Alanine, conf. I
259218.1192 0.7532 -5.5282 3 649.3359405 89502 303675611 675512 a-Alanine, conf. I
259218.1192 0.7532 -5.5282 3 649.3359405 89502 303675612 675513 a-Alanine, conf. I
259228.0507 0.3862 -5.3389 3 79.4325177 89502 30329 920 28 821 a-Alanine, conf. I
259286.3521 0.1385 -5.3612 3 138.6330225 89502 303371522 361422 a-Alanine, conf. I
259313.6320 0.1465 -5.5553 3 110.0418213 89502 30335 728 34 628 a-Alanine, conf. I
259313.8412 0.1465 -5.5553 3 110.0418213 89502 30335 828 34 728 a-Alanine, conf. I
259325.4978 0.7722 -5.5381 3 637.1959399 89502 303665610 665511 a-Alanine, conf. I
259325.4978 0.7722 -5.5381 3 637.1959399 89502 303665611 665512 a-Alanine, conf. I
259376.7031 0.3129 -5.4164 3 125.7972219 89502 303361225 351125 a-Alanine, conf. I
259385.3524 0.1799 -4.5104 3 217.7164285 89502 303471533 461432 a-Alanine, conf. I
259413.6981 1.7912 -5.8595 3 1020.8125555 89502 303925735 925636 a-Alanine, conf. I
259413.6981 1.7912 -5.8595 3 1020.8125555 89502 303925736 925637 a-Alanine, conf. I
259427.6908 0.7944 -5.5520 3 625.2385393 89502 3036556 9 655510 a-Alanine, conf. I
259427.6908 0.7944 -5.5520 3 625.2385393 89502 303655610 655511 a-Alanine, conf. I
259466.3866 4.4369 -6.1060 3 1133.1972669 89502 303B12091 B11992 a-Alanine, conf. I
259466.3866 4.4369 -6.1060 3 1133.1972669 89502 303B12191 B12092 a-Alanine, conf. I
259478.6387 2.9289 -5.4923 3 470.8096405 89502 303672840 662937 a-Alanine, conf. I
259484.0585 3.7399 -5.6869 3 642.8644537 89502 30389 584 89 485 a-Alanine, conf. I
259484.0585 3.7399 -5.6869 3 642.8644537 89502 30389 684 89 585 a-Alanine, conf. I
259495.7328 0.7462 -5.4123 3 393.5754375 89502 303622340 612437 a-Alanine, conf. I
259498.3278 4.2122 -5.9165 3 562.9708513 89502 30385 283 85 184 a-Alanine, conf. I
259498.3278 4.2122 -5.9165 3 562.9708513 89502 30385 383 85 284 a-Alanine, conf. I
259505.9771 0.3371 -4.9193 3 245.9906285 89502 303472523 462522 a-Alanine, conf. I
259505.9796 0.3371 -4.9193 3 245.9906285 89502 303472522 462521 a-Alanine, conf. I
259524.8598 0.8193 -5.5705 3 613.4636387 89502 3036456 8 6455 9 a-Alanine, conf. I
259524.8598 0.8193 -5.5705 3 613.4636387 89502 3036456 9 645510 a-Alanine, conf. I
259527.8325 0.1708 -4.7416 3 240.1756321 89502 30353 647 52 646 a-Alanine, conf. I
259527.8325 0.1708 -4.1854 3 240.1756321 89502 30353 647 52 746 a-Alanine, conf. I
259527.8325 0.1708 -4.1854 3 240.1756321 89502 30353 747 52 646 a-Alanine, conf. I
259527.8325 0.1708 -4.7416 3 240.1756321 89502 30353 747 52 746 a-Alanine, conf. I
259540.5420 0.1726 -4.4359 3 223.5805291 89502 303481335 471434 a-Alanine, conf. I
259558.9817 0.1724 -4.7768 3 223.5805291 89502 303481435 471434 a-Alanine, conf. I
259580.2063 0.1723 -4.7767 3 223.5792291 89502 303481335 471334 a-Alanine, conf. I
259598.6460 0.1722 -4.4357 3 223.5792291 89502 303481435 471334 a-Alanine, conf. I
259615.4986 3.7789 -5.3804 3 411.4820381 89502 303632538 622637 a-Alanine, conf. I
259617.1638 0.8466 -5.5947 3 601.8711381 89502 3036356 7 6355 8 a-Alanine, conf. I
259617.1638 0.8466 -5.5947 3 601.8711381 89502 3036356 8 6355 9 a-Alanine, conf. I
259660.1988 0.1663 -6.0557 3 108.3565201 89502 303331320 321121 a-Alanine, conf. I
259681.5509 3.0389 -5.4916 3 470.8093405 89502 303672839 662938 a-Alanine, conf. I
259682.3436 0.3263 -4.7826 3 213.8294279 89502 303461730 451729 a-Alanine, conf. I
259688.2432 3.1173 -5.6917 3 789.2359579 89502 303961086 96 987 a-Alanine, conf. I
259688.2432 3.1173 -5.6917 3 789.2359579 89502 303961186 961087 a-Alanine, conf. I
259694.6740 1.7018 -5.8351 3 1004.1000549 89502 303915734 915635 a-Alanine, conf. I
259694.6740 1.7018 -5.8351 3 1004.1000549 89502 303915735 915636 a-Alanine, conf. I
259704.7588 0.8757 -5.6261 3 590.4610375 89502 3036256 6 6255 7 a-Alanine, conf. I
259704.7588 0.8757 -5.6261 3 590.4610375 89502 3036256 7 6255 8 a-Alanine, conf. I
259751.6898 0.0388 -5.3418 3 112.8593189 89502 303312011 301911 a-Alanine, conf. I
259751.6898 0.0388 -4.2817 3 112.8593189 89502 303312012 301911 a-Alanine, conf. I
259751.6899 0.0388 -5.3418 3 112.8593189 89502 303312012 301912 a-Alanine, conf. I
259751.6900 0.0388 -4.2817 3 112.8593189 89502 303312011 301912 a-Alanine, conf. I
259787.7983 0.9063 -5.6667 3 579.2332369 89502 3036156 5 6155 6 a-Alanine, conf. I
259787.7983 0.9063 -5.6667 3 579.2332369 89502 3036156 6 6155 7 a-Alanine, conf. I
259866.4328 0.9382 -5.7198 3 568.1877363 89502 3036056 4 6055 5 a-Alanine, conf. I
259866.4328 0.9382 -5.7198 3 568.1877363 89502 3036056 5 6055 6 a-Alanine, conf. I
259897.5494 0.0582 -4.4969 3 126.8718213 89502 303351620 341519 a-Alanine, conf. I
259912.7328 0.1755 -4.2672 3 235.6753309 89502 30351 942 501041 a-Alanine, conf. I
259912.7329 0.1755 -4.7601 3 235.6753309 89502 30351 942 50 941 a-Alanine, conf. I
259912.7329 0.1755 -4.2672 3 235.6753309 89502 303511042 50 941 a-Alanine, conf. I
259912.7329 0.1755 -4.7601 3 235.6753309 89502 303511042 501041 a-Alanine, conf. I
259939.5364 0.4764 -4.6044 3 220.1968285 89502 303471532 461631 a-Alanine, conf. I
259940.8103 0.9710 -5.7910 3 557.3244357 89502 3035956 3 5955 4 a-Alanine, conf. I
259940.8103 0.9710 -5.7910 3 557.3244357 89502 3035956 4 5955 5 a-Alanine, conf. I
259960.5286 0.6381 -4.8061 3 218.5248279 89502 303461927 451926 a-Alanine, conf. I
259965.8797 1.6155 -5.8113 3 987.5711543 89502 303905733 905634 a-Alanine, conf. I
259965.8797 1.6155 -5.8113 3 987.5711543 89502 303905734 905635 a-Alanine, conf. I
259974.0714 3.7870 -5.9995 3 1060.4886651 89502 303A81890 A81791 a-Alanine, conf. I
259974.0714 3.7870 -5.9995 3 1060.4886651 89502 303A81990 A81891 a-Alanine, conf. I
260009.3681 0.4532 -4.7924 3 216.0794279 89502 303461829 451828 a-Alanine, conf. I
260011.0764 1.0045 -5.8905 3 546.6433351 89502 3035856 2 5855 3 a-Alanine, conf. I
260011.0764 1.0045 -5.8905 3 546.6433351 89502 3035856 3 5855 4 a-Alanine, conf. I
260060.0914 0.0562 -5.3650 3 126.8718213 89502 303351619 341519 a-Alanine, conf. I
260077.3738 1.0385 -6.0415 3 536.1443345 89502 3035756 1 5755 2 a-Alanine, conf. I
260077.3738 1.0385 -6.0415 3 536.1443345 89502 3035756 2 5755 3 a-Alanine, conf. I
260081.2810 3.0293 -5.7464 3 854.0783597 89502 303991287 991188 a-Alanine, conf. I
260081.2810 3.0293 -5.7464 3 854.0783597 89502 303991387 991288 a-Alanine, conf. I
260096.5804 0.3648 -4.8965 3 242.3438285 89502 303472424 462423 a-Alanine, conf. I
260096.6154 0.3648 -4.8965 3 242.3438285 89502 303472423 462422 a-Alanine, conf. I
260227.5643 1.5325 -5.7884 3 971.2259537 89502 303895732 895633 a-Alanine, conf. I
260227.5643 1.5325 -5.7884 3 971.2259537 89502 303895733 895634 a-Alanine, conf. I
260236.4419 3.3356 -5.9030 3 989.7209633 89502 303A51689 A51590 a-Alanine, conf. I
260236.4419 3.3356 -5.9030 3 989.7209633 89502 303A51789 A51690 a-Alanine, conf. I
260267.8852 3.0885 -5.8180 3 920.9119615 89502 303A21488 A21389 a-Alanine, conf. I
260267.8852 3.0885 -5.8180 3 920.9119615 89502 303A21588 A21489 a-Alanine, conf. I
260281.8953 0.0442 -4.3198 3 115.7332195 89502 303321914 311813 a-Alanine, conf. I
260281.8977 0.0442 -5.3484 3 115.7332195 89502 303321913 311813 a-Alanine, conf. I
260281.9095 0.0442 -5.3484 3 115.7332195 89502 303321914 311814 a-Alanine, conf. I
260281.9119 0.0442 -4.3198 3 115.7332195 89502 303321913 311814 a-Alanine, conf. I
260343.2161 3.4854 -5.6640 3 702.9923555 89502 30392 785 92 686 a-Alanine, conf. I
260343.2161 3.4854 -5.6640 3 702.9923555 89502 30392 885 92 786 a-Alanine, conf. I
260479.9709 1.4528 -5.7662 3 955.0643531 89502 303885731 885632 a-Alanine, conf. I
260479.9709 1.4528 -5.7662 3 955.0643531 89502 303885732 885633 a-Alanine, conf. I
260487.6167 0.0644 -5.3637 3 126.8521213 89502 303351620 341520 a-Alanine, conf. I
260500.3128 0.2014 -4.7696 3 211.3723279 89502 303461531 451530 a-Alanine, conf. I
260520.9959 0.2634 -4.7096 3 246.0814339 89502 30356 254 55 253 a-Alanine, conf. I
260520.9959 0.2634 -4.0957 3 246.0814339 89502 30356 254 55 353 a-Alanine, conf. I
260520.9959 0.2634 -4.0957 3 246.0814339 89502 30356 354 55 253 a-Alanine, conf. I
260520.9959 0.2634 -4.7096 3 246.0814339 89502 30356 354 55 353 a-Alanine, conf. I
260575.1244 9.9001 -5.8849 3 483.4822417 89502 303692446 682543 a-Alanine, conf. I
260578.2467 0.1175 -5.3659 3 131.4724219 89502 303361522 351422 a-Alanine, conf. I
260593.6149 5.0437 -5.2620 3 345.6043351 89502 303582236 572335 a-Alanine, conf. I
260598.1413 0.1767 -4.3786 3 229.1353297 89502 303491237 481336 a-Alanine, conf. I
260598.8830 0.1767 -4.7727 3 229.1353297 89502 303491337 481336 a-Alanine, conf. I
260599.8404 0.1768 -4.7726 3 229.1352297 89502 303491237 481236 a-Alanine, conf. I
260600.5821 0.1768 -4.3786 3 229.1352297 89502 303491337 481236 a-Alanine, conf. I
260607.7956 3.9465 -5.7327 3 620.3610531 89502 30388 484 88 385 a-Alanine, conf. I
260607.7956 3.9465 -5.7327 3 620.3610531 89502 30388 584 88 485 a-Alanine, conf. I
260612.2068 0.1271 -5.6056 3 107.3005213 89502 30335 629 34 529 a-Alanine, conf. I
260612.2180 0.1271 -5.6056 3 107.3005213 89502 30335 729 34 629 a-Alanine, conf. I
260617.7699 13.8949 -6.0878 3 540.3298441 89502 303732549 722646 a-Alanine, conf. I
260632.4180 0.1335 -5.6621 3 63.8902165 89502 30327 621 26 522 a-Alanine, conf. I
260650.1587 0.0731 -4.4950 3 126.8521213 89502 303351619 341520 a-Alanine, conf. I
260651.2025 0.1328 -5.6620 3 63.8902165 89502 30327 721 26 422 a-Alanine, conf. I
260657.8989 0.0499 -4.3646 3 119.0049201 89502 303331816 321715 a-Alanine, conf. I
260658.0522 0.0499 -5.3543 3 119.0049201 89502 303331815 321715 a-Alanine, conf. I
260658.6755 0.0499 -5.3543 3 119.0049201 89502 303331816 321716 a-Alanine, conf. I
260658.8287 0.0499 -4.3646 3 119.0049201 89502 303331815 321716 a-Alanine, conf. I
260697.3627 0.3812 -6.1086 3 370.0265291 89502 3034846 2 4746 1 a-Alanine, conf. I
260697.3627 0.3812 -6.1086 3 370.0265291 89502 3034846 3 4746 2 a-Alanine, conf. I
260723.3370 1.3765 -5.7448 3 939.0863525 89502 303875730 875631 a-Alanine, conf. I
260723.3370 1.3765 -5.7448 3 939.0863525 89502 303875731 875632 a-Alanine, conf. I
260738.8570 0.0551 -4.4202 3 122.7000207 89502 303341718 331617 a-Alanine, conf. I
260745.0784 0.0553 -5.3595 3 122.7000207 89502 303341717 331617 a-Alanine, conf. I
260745.3405 2.2348 -4.8543 3 242.6699297 89502 303491732 481831 a-Alanine, conf. I
260766.0163 0.0559 -5.3594 3 122.6991207 89502 303341718 331618 a-Alanine, conf. I
260771.9592 0.3544 -5.9221 3 362.9131291 89502 3034845 3 4745 2 a-Alanine, conf. I
260771.9592 0.3544 -5.9221 3 362.9131291 89502 3034845 4 4745 3 a-Alanine, conf. I
260772.2377 0.0561 -4.4201 3 122.6991207 89502 303341717 331618 a-Alanine, conf. I
260791.9065 3.8164 -5.5666 3 417.4772387 89502 303642342 632439 a-Alanine, conf. I
260794.7973 0.3964 -4.8746 3 238.8855285 89502 303472325 462324 a-Alanine, conf. I
260795.2288 0.3965 -4.8746 3 238.8855285 89502 303472324 462323 a-Alanine, conf. I
260813.3930 3.2630 -5.9650 3 686.2433477 89502 303793940 784039 a-Alanine, conf. I
260813.3930 3.2630 -5.9650 3 686.2433477 89502 303793941 784038 a-Alanine, conf. I
260819.5995 3.3069 -6.0123 3 706.7485483 89502 303804040 794139 a-Alanine, conf. I
260819.5995 3.3069 -6.0123 3 706.7485483 89502 303804041 794138 a-Alanine, conf. I
260852.7184 0.3291 -5.7871 3 355.9584291 89502 3034844 4 4744 3 a-Alanine, conf. I
260852.7184 0.3291 -5.7871 3 355.9584291 89502 3034844 5 4744 4 a-Alanine, conf. I
260857.8865 3.2224 -5.9182 3 666.0775471 89502 303783841 773938 a-Alanine, conf. I
260857.8867 3.2224 -5.9182 3 666.0775471 89502 303783840 773939 a-Alanine, conf. I
260870.1096 3.3536 -6.0603 3 727.5928489 89502 303814140 804239 a-Alanine, conf. I
260870.1096 3.3536 -6.0603 3 727.5928489 89502 303814141 804238 a-Alanine, conf. I
260902.6739 0.0968 -6.0330 3 55.1874159 89502 30326 422 25 323 a-Alanine, conf. I
260902.8201 0.0968 -6.0330 3 55.1874159 89502 30326 522 25 223 a-Alanine, conf. I
260909.4460 0.1797 -4.7327 3 244.1159327 89502 30354 549 53 548 a-Alanine, conf. I
260909.4460 0.1797 -4.1594 3 244.1159327 89502 30354 549 53 648 a-Alanine, conf. I
260909.4460 0.1797 -4.1594 3 244.1159327 89502 30354 649 53 548 a-Alanine, conf. I
260909.4460 0.1797 -4.7327 3 244.1159327 89502 30354 649 53 648 a-Alanine, conf. I
260940.2145 0.3055 -5.6805 3 349.1627291 89502 3034843 5 4743 4 a-Alanine, conf. I
260940.2145 0.3055 -5.6805 3 349.1627291 89502 3034843 6 4743 5 a-Alanine, conf. I
260957.8948 1.3036 -5.7242 3 923.2917519 89502 303865729 865630 a-Alanine, conf. I
260957.8948 1.3036 -5.7242 3 923.2917519 89502 303865730 865631 a-Alanine, conf. I
260959.1919 2.9294 -5.4529 3 454.6122399 89502 303662740 652837 a-Alanine, conf. I
260959.5357 3.4028 -6.1088 3 748.7754495 89502 303824240 814339 a-Alanine, conf. I
260959.5357 3.4028 -6.1088 3 748.7754495 89502 303824241 814338 a-Alanine, conf. I
260960.7474 3.1855 -5.8719 3 646.2518465 89502 303773741 763838 a-Alanine, conf. I
260960.7486 3.1855 -5.8719 3 646.2518465 89502 303773740 763839 a-Alanine, conf. I
260985.3158 0.0512 -5.2771 3 107.8648159 89502 3032626 0 2525 0 a-Alanine, conf. I
260985.3158 0.0512 -4.1127 3 107.8648159 89502 3032626 0 2525 1 a-Alanine, conf. I
260985.3158 0.0512 -4.1127 3 107.8648159 89502 3032626 1 2525 0 a-Alanine, conf. I
260985.3158 0.0512 -5.2771 3 107.8648159 89502 3032626 1 2525 1 a-Alanine, conf. I
261020.9192 3.2659 -5.6827 3 765.1480573 89502 30395 986 95 887 a-Alanine, conf. I
261020.9192 3.2659 -5.6827 3 765.1480573 89502 303951086 95 987 a-Alanine, conf. I
261035.0948 0.2837 -5.5920 3 342.5264291 89502 3034842 6 4742 5 a-Alanine, conf. I
261035.0948 0.2837 -5.5920 3 342.5264291 89502 3034842 7 4742 6 a-Alanine, conf. I
261131.2660 3.1531 -5.8263 3 626.7669459 89502 303763641 753738 a-Alanine, conf. I
261131.2716 3.1531 -5.8263 3 626.7669459 89502 303763640 753739 a-Alanine, conf. I
261138.0920 0.2641 -5.5160 3 336.0497291 89502 3034841 7 4741 6 a-Alanine, conf. I
261138.0920 0.2641 -5.5160 3 336.0497291 89502 3034841 8 4741 7 a-Alanine, conf. I
261167.0643 0.8141 -4.7656 3 205.7618273 89502 303451728 441727 a-Alanine, conf. I
261183.8711 1.2344 -5.7045 3 907.6805513 89502 303855728 855629 a-Alanine, conf. I
261183.8711 1.2344 -5.7045 3 907.6805513 89502 303855729 855630 a-Alanine, conf. I
261250.0380 0.2469 -5.4494 3 329.7329291 89502 3034840 8 4740 7 a-Alanine, conf. I
261250.0380 0.2469 -5.4494 3 329.7329291 89502 3034840 9 4740 8 a-Alanine, conf. I
261271.2895 0.1759 -4.7525 3 240.2646315 89502 30352 844 51 843 a-Alanine, conf. I
261271.2895 0.1759 -4.2346 3 240.2646315 89502 30352 844 51 943 a-Alanine, conf. I
261271.2895 0.1759 -4.2346 3 240.2646315 89502 30352 944 51 843 a-Alanine, conf. I
261271.2895 0.1759 -4.7525 3 240.2646315 89502 30352 944 51 943 a-Alanine, conf. I
261334.0658 4.1291 -6.0656 3 1105.8222663 89502 303B01991 B01892 a-Alanine, conf. I
261334.0658 4.1291 -6.0656 3 1105.8222663 89502 303B02091 B01992 a-Alanine, conf. I
261371.8821 0.2326 -5.3900 3 323.5765291 89502 3034839 9 4739 8 a-Alanine, conf. I
261371.8821 0.2326 -5.3900 3 323.5765291 89502 303483910 4739 9 a-Alanine, conf. I
261380.8359 3.1261 -5.7812 3 607.6237453 89502 303753541 743638 a-Alanine, conf. I
261380.8620 3.1261 -5.7812 3 607.6237453 89502 303753540 743639 a-Alanine, conf. I
261401.4879 1.1689 -5.6856 3 892.2527507 89502 303845727 845628 a-Alanine, conf. I
261401.4879 1.1689 -5.6856 3 892.2527507 89502 303845728 845629 a-Alanine, conf. I
261498.1140 0.0634 -5.4047 3 82.6302177 89502 303291218 28 919 a-Alanine, conf. I
261504.7116 0.2216 -5.3364 3 317.5809291 89502 303483810 4738 9 a-Alanine, conf. I
261504.7116 0.2216 -5.3364 3 317.5809291 89502 303483811 473810 a-Alanine, conf. I
261507.9912 3.1188 -5.7279 3 829.3174591 89502 303981187 981088 a-Alanine, conf. I
261507.9912 3.1188 -5.7279 3 829.3174591 89502 303981287 981188 a-Alanine, conf. I
261516.7302 1.9239 -5.4733 3 405.3960381 89502 303632341 622438 a-Alanine, conf. I
261548.4864 3.6816 -5.6783 3 679.7992549 89502 30391 685 91 586 a-Alanine, conf. I
261548.4864 3.6816 -5.6783 3 679.7992549 89502 30391 785 91 686 a-Alanine, conf. I
261556.6501 0.2863 -5.4394 3 123.6052219 89502 303361026 35 926 a-Alanine, conf. I
261610.9624 1.1073 -5.6677 3 877.0082501 89502 303835726 835627 a-Alanine, conf. I
261610.9624 1.1073 -5.6677 3 877.0082501 89502 303835727 835628 a-Alanine, conf. I
261635.4882 0.4334 -4.8535 3 235.6235285 89502 303472226 462225 a-Alanine, conf. I
261640.0492 0.4345 -4.8535 3 235.6236285 89502 303472225 462224 a-Alanine, conf. I
261642.7821 3.2635 -5.4504 3 454.6108399 89502 303662739 652838 a-Alanine, conf. I
261649.7787 0.2140 -5.2874 3 311.7466291 89502 303483711 473710 a-Alanine, conf. I
261649.7787 0.2140 -5.2874 3 311.7466291 89502 303483712 473711 a-Alanine, conf. I
261696.5878 4.1570 -5.8070 3 598.0770525 89502 30387 384 87 285 a-Alanine, conf. I
261696.5878 4.1570 -5.8070 3 598.0770525 89502 30387 484 87 385 a-Alanine, conf. I
261706.0119 0.5613 -5.3917 3 134.3979225 89502 303371225 361125 a-Alanine, conf. I
261712.1957 0.2739 -5.4389 3 123.6066219 89502 303361126 351026 a-Alanine, conf. I
261720.2733 3.5801 -5.9633 3 1033.7547645 89502 303A71790 A71691 a-Alanine, conf. I
261720.2733 3.5801 -5.9633 3 1033.7547645 89502 303A71890 A71791 a-Alanine, conf. I
261722.3574 0.0385 -5.2870 3 108.7524165 89502 3032725 2 2624 2 a-Alanine, conf. I
261722.3574 0.0385 -4.1358 3 108.7524165 89502 3032725 2 2624 3 a-Alanine, conf. I
261722.3574 0.0385 -4.1358 3 108.7524165 89502 3032725 3 2624 2 a-Alanine, conf. I
261722.3574 0.0385 -5.2870 3 108.7524165 89502 3032725 3 2624 3 a-Alanine, conf. I
261723.6205 3.1055 -5.7367 3 588.8230447 89502 303743441 733538 a-Alanine, conf. I
261723.7379 3.1056 -5.7367 3 588.8230447 89502 303743440 733539 a-Alanine, conf. I
261745.6226 0.1236 -5.6684 3 104.4169213 89502 30335 530 34 430 a-Alanine, conf. I
261745.6231 0.1236 -5.6684 3 104.4169213 89502 30335 630 34 530 a-Alanine, conf. I
261793.3116 0.1805 -4.3319 3 234.4344303 89502 303501139 491238 a-Alanine, conf. I
261793.3344 0.1805 -4.7673 3 234.4344303 89502 303501239 491238 a-Alanine, conf. I
261793.3666 0.1805 -4.7673 3 234.4344303 89502 303501139 491138 a-Alanine, conf. I
261793.3894 0.1805 -4.3319 3 234.4344303 89502 303501239 491138 a-Alanine, conf. I
261794.4225 3.0929 -5.7923 3 895.4855609 89502 303A11388 A11289 a-Alanine, conf. I
261794.4225 3.0929 -5.7923 3 895.4855609 89502 303A11488 A11389 a-Alanine, conf. I
261808.5328 0.2103 -5.2424 3 306.0740291 89502 303483612 473611 a-Alanine, conf. I
261808.5328 0.2103 -5.2424 3 306.0740291 89502 303483613 473612 a-Alanine, conf. I
261812.5070 1.0498 -5.6507 3 861.9470495 89502 303825725 825626 a-Alanine, conf. I
261812.5070 1.0498 -5.6507 3 861.9470495 89502 303825726 825627 a-Alanine, conf. I
261865.4449 0.3242 -4.6997 3 249.2027345 89502 30357 156 56 155 a-Alanine, conf. I
261865.4449 0.3242 -4.0746 3 249.2027345 89502 30357 156 56 255 a-Alanine, conf. I
261865.4449 0.3242 -4.0746 3 249.2027345 89502 30357 256 56 155 a-Alanine, conf. I
261865.4449 0.3242 -4.6997 3 249.2027345 89502 30357 256 56 255 a-Alanine, conf. I
261869.2277 3.2365 -5.8716 3 963.6367627 89502 303A41589 A41490 a-Alanine, conf. I
261869.2277 3.2365 -5.8716 3 963.6367627 89502 303A41689 A41590 a-Alanine, conf. I
261982.6620 0.2104 -5.2008 3 300.5640291 89502 303483513 473512 a-Alanine, conf. I
261982.6620 0.2104 -5.2008 3 300.5640291 89502 303483514 473513 a-Alanine, conf. I
262006.3300 0.9968 -5.6348 3 847.0689489 89502 303815724 815625 a-Alanine, conf. I
262006.3300 0.9968 -5.6348 3 847.0689489 89502 303815725 815626 a-Alanine, conf. I
262022.8787 2.5536 -6.0890 3 1169.6988603 89502 303A05842 A05743 a-Alanine, conf. I
262022.8787 2.5536 -6.0890 3 1169.6988603 89502 303A05843 A05744 a-Alanine, conf. I
262174.1453 0.2143 -5.1621 3 295.2171291 89502 303483414 473413 a-Alanine, conf. I
262174.1453 0.2143 -5.1621 3 295.2171291 89502 303483415 473414 a-Alanine, conf. I
262177.4726 3.0930 -5.6927 3 570.3659441 89502 303733341 723438 a-Alanine, conf. I
262177.9822 3.0935 -5.6926 3 570.3659441 89502 303733340 723439 a-Alanine, conf. I
262190.7077 0.1960 -4.7745 3 220.1968285 89502 303471632 461631 a-Alanine, conf. I
262192.6352 0.9484 -5.6198 3 832.3741483 89502 303805723 805624 a-Alanine, conf. I
262192.6352 0.9484 -5.6198 3 832.3741483 89502 303805724 805625 a-Alanine, conf. I
262285.6581 0.1989 -4.7237 3 247.8612333 89502 30355 451 54 450 a-Alanine, conf. I
262285.6581 0.1989 -4.1352 3 247.8612333 89502 30355 451 54 550 a-Alanine, conf. I
262285.6581 0.1989 -4.1352 3 247.8612333 89502 30355 551 54 450 a-Alanine, conf. I
262285.6581 0.1989 -4.7237 3 247.8612333 89502 30355 551 54 550 a-Alanine, conf. I
262312.2944 3.4373 -5.6797 3 741.2718567 89502 30394 886 94 787 a-Alanine, conf. I
262312.2944 3.4373 -5.6797 3 741.2718567 89502 30394 986 94 887 a-Alanine, conf. I
262339.9245 0.3420 -4.7505 3 204.2863273 89502 303451629 441628 a-Alanine, conf. I
262368.4023 2.4397 -6.0596 3 1151.5267597 89502 303995841 995742 a-Alanine, conf. I
262368.4023 2.4397 -6.0596 3 1151.5267597 89502 303995842 995743 a-Alanine, conf. I
262371.6225 0.9049 -5.6060 3 817.8622477 89502 303795722 795623 a-Alanine, conf. I
262371.6225 0.9049 -5.6060 3 817.8622477 89502 303795723 795624 a-Alanine, conf. I
262385.3202 0.2216 -5.1260 3 290.0343291 89502 303483315 473314 a-Alanine, conf. I
262385.3202 0.2216 -5.1260 3 290.0343291 89502 303483316 473315 a-Alanine, conf. I
262444.6465 0.0905 -5.3452 3 145.8037231 89502 303381523 371423 a-Alanine, conf. I
262452.3429 0.0316 -5.2965 3 109.9906171 89502 3032824 4 2723 4 a-Alanine, conf. I
262452.3429 0.0316 -4.1602 3 109.9906171 89502 3032824 4 2723 5 a-Alanine, conf. I
262452.3429 0.0316 -4.1602 3 109.9906171 89502 3032824 5 2723 4 a-Alanine, conf. I
262452.3429 0.0316 -5.2965 3 109.9906171 89502 3032824 5 2723 5 a-Alanine, conf. I
262507.7531 0.2717 -5.3347 3 79.4292177 89502 303291020 28 721 a-Alanine, conf. I
262541.3151 2.8262 -5.4165 3 438.7755393 89502 303652640 642737 a-Alanine, conf. I
262543.4877 0.8667 -5.5934 3 803.5335471 89502 303785721 785622 a-Alanine, conf. I
262543.4877 0.8667 -5.5934 3 803.5335471 89502 303785722 785623 a-Alanine, conf. I
262618.9707 0.2322 -5.0921 3 285.0165291 89502 303483216 473215 a-Alanine, conf. I
262618.9707 0.2322 -5.0921 3 285.0165291 89502 303483217 473216 a-Alanine, conf. I
262645.8140 0.1767 -4.7445 3 244.6488321 89502 30353 746 52 745 a-Alanine, conf. I
262645.8140 0.1767 -4.2052 3 244.6488321 89502 30353 746 52 845 a-Alanine, conf. I
262645.8140 0.1767 -4.2052 3 244.6488321 89502 30353 846 52 745 a-Alanine, conf. I
262645.8140 0.1767 -4.7445 3 244.6488321 89502 30353 846 52 845 a-Alanine, conf. I
262665.0626 0.4768 -4.8330 3 232.5689285 89502 303472127 462126 a-Alanine, conf. I
262702.7525 2.3293 -6.0307 3 1133.5385591 89502 303985840 985741 a-Alanine, conf. I
262702.7525 2.3293 -6.0307 3 1133.5385591 89502 303985841 985742 a-Alanine, conf. I
262705.7025 0.4854 -4.8328 3 232.5699285 89502 303472126 462125 a-Alanine, conf. I
262708.4229 0.8341 -5.5820 3 789.3877465 89502 303775720 775621 a-Alanine, conf. I
262708.4229 0.8341 -5.5820 3 789.3877465 89502 303775721 775622 a-Alanine, conf. I
262716.5003 3.8869 -5.7054 3 656.8224543 89502 30390 585 90 486 a-Alanine, conf. I
262716.5003 3.8869 -5.7054 3 656.8224543 89502 30390 685 90 586 a-Alanine, conf. I
262749.0438 0.1364 -5.7492 3 101.3960213 89502 30335 431 34 331 a-Alanine, conf. I
262749.0438 0.1364 -5.7492 3 101.3960213 89502 30335 531 34 431 a-Alanine, conf. I
262751.6197 4.3696 -5.9331 3 576.0136519 89502 30386 284 86 185 a-Alanine, conf. I
262751.6197 4.3696 -5.9331 3 576.0136519 89502 30386 384 86 285 a-Alanine, conf. I
262765.1499 3.0905 -5.6492 3 552.2538435 89502 303723241 713338 a-Alanine, conf. I
262767.2795 3.0922 -5.6492 3 552.2538435 89502 303723240 713339 a-Alanine, conf. I
262866.6165 0.8072 -5.5719 3 775.4248459 89502 303765719 765620 a-Alanine, conf. I
262866.6165 0.8072 -5.5719 3 775.4248459 89502 303765720 765621 a-Alanine, conf. I
262878.4452 0.2456 -5.0603 3 280.1649291 89502 303483117 473116 a-Alanine, conf. I
262878.4452 0.2456 -5.0603 3 280.1649291 89502 303483118 473117 a-Alanine, conf. I
262890.4580 3.2445 -5.7135 3 804.7649585 89502 303971087 97 988 a-Alanine, conf. I
262890.4580 3.2445 -5.7135 3 804.7649585 89502 303971187 971088 a-Alanine, conf. I
262941.8761 0.1855 -4.4872 3 226.3686291 89502 303481434 471533 a-Alanine, conf. I
263018.2533 0.7863 -5.5633 3 761.6449453 89502 303755718 755619 a-Alanine, conf. I
263018.2533 0.7863 -5.5633 3 761.6449453 89502 303755719 755620 a-Alanine, conf. I
263026.2069 2.2222 -6.0026 3 1115.7339585 89502 303975839 975740 a-Alanine, conf. I
263026.2069 2.2222 -6.0026 3 1115.7339585 89502 303975840 975741 a-Alanine, conf. I
263038.6533 5.0352 -5.2984 3 370.6234363 89502 303602337 592436 a-Alanine, conf. I
263076.2476 0.1832 -4.2922 3 239.4997309 89502 303511041 501140 a-Alanine, conf. I
263076.2482 0.1832 -4.7611 3 239.4997309 89502 303511141 501140 a-Alanine, conf. I
263076.2490 0.1832 -4.7611 3 239.4997309 89502 303511041 501040 a-Alanine, conf. I
263076.2495 0.1832 -4.2922 3 239.4997309 89502 303511141 501040 a-Alanine, conf. I
263107.8368 0.1781 -4.7730 3 226.3686291 89502 303481534 471533 a-Alanine, conf. I
263123.9203 0.3081 -4.6171 3 131.4724219 89502 303361521 351422 a-Alanine, conf. I
263141.8603 3.8727 -6.0269 3 1078.6400657 89502 303A91891 A91792 a-Alanine, conf. I
263141.8603 3.8727 -6.0269 3 1078.6400657 89502 303A91991 A91892 a-Alanine, conf. I
263151.0753 1.1440 -4.7016 3 231.3251291 89502 303481632 471731 a-Alanine, conf. I
263163.5147 0.7714 -5.5562 3 748.0477447 89502 303745717 745618 a-Alanine, conf. I
263163.5147 0.7714 -5.5562 3 748.0477447 89502 303745718 745619 a-Alanine, conf. I
263167.8149 0.2614 -5.0303 3 275.4809291 89502 303483018 473017 a-Alanine, conf. I
263167.8149 0.2614 -5.0303 3 275.4809291 89502 303483019 473018 a-Alanine, conf. I
263168.9517 0.0306 -5.3054 3 111.5829177 89502 3032923 6 2822 6 a-Alanine, conf. I
263168.9517 0.0306 -4.1862 3 111.5829177 89502 3032923 6 2822 7 a-Alanine, conf. I
263168.9517 0.0306 -4.1862 3 111.5829177 89502 3032923 7 2822 6 a-Alanine, conf. I
263168.9517 0.0306 -5.3054 3 111.5829177 89502 3032923 7 2822 7 a-Alanine, conf. I
263193.5930 0.4000 -4.6898 3 252.1318351 89502 30358 058 57 057 a-Alanine, conf. I
263193.5930 0.4000 -4.0543 3 252.1318351 89502 30358 058 57 157 a-Alanine, conf. I
263193.5930 0.4000 -4.0543 3 252.1318351 89502 30358 158 57 057 a-Alanine, conf. I
263193.5930 0.4000 -4.6898 3 252.1318351 89502 30358 158 57 157 a-Alanine, conf. I
263240.1804 0.9007 -5.0688 3 107.0778201 89502 303331221 321122 a-Alanine, conf. I
263273.4527 3.1466 -5.7697 3 870.2638603 89502 303A01288 A01189 a-Alanine, conf. I
263273.4527 3.1466 -5.7697 3 870.2638603 89502 303A01388 A01289 a-Alanine, conf. I
263277.8070 0.1763 -4.7723 3 226.3574291 89502 303481434 471433 a-Alanine, conf. I
263302.5787 0.7625 -5.5509 3 734.6333441 89502 303735716 735617 a-Alanine, conf. I
263302.5787 0.7625 -5.5509 3 734.6333441 89502 303735717 735618 a-Alanine, conf. I
263339.0357 2.1186 -5.9750 3 1098.1131579 89502 303965838 965739 a-Alanine, conf. I
263339.0357 2.1186 -5.9750 3 1098.1131579 89502 303965839 965740 a-Alanine, conf. I
263411.2293 3.4300 -5.9291 3 1007.2178639 89502 303A61690 A61591 a-Alanine, conf. I
263411.2293 3.4300 -5.9291 3 1007.2178639 89502 303A61790 A61691 a-Alanine, conf. I
263435.6202 0.7594 -5.5473 3 721.4017435 89502 303725715 725616 a-Alanine, conf. I
263435.6202 0.7594 -5.5473 3 721.4017435 89502 303725716 725617 a-Alanine, conf. I
263443.7677 0.1789 -4.4854 3 226.3574291 89502 303481534 471433 a-Alanine, conf. I
263450.8630 3.1943 -5.8426 3 937.7535621 89502 303A31489 A31390 a-Alanine, conf. I
263450.8630 3.1943 -5.8426 3 937.7535621 89502 303A31589 A31490 a-Alanine, conf. I
263453.7336 1.6118 -5.3775 3 408.2304381 89502 303632440 622537 a-Alanine, conf. I
263492.0944 0.2795 -5.0020 3 270.9661291 89502 303482919 472918 a-Alanine, conf. I
263492.0944 0.2795 -5.0020 3 270.9661291 89502 303482920 472919 a-Alanine, conf. I
263515.6476 3.1001 -5.6063 3 534.4881429 89502 303713141 703238 a-Alanine, conf. I
263524.1882 3.1062 -5.6062 3 534.4881429 89502 303713140 703239 a-Alanine, conf. I
263562.8108 0.7619 -5.5458 3 708.3527429 89502 303715714 715615 a-Alanine, conf. I
263562.8108 0.7619 -5.5458 3 708.3527429 89502 303715715 715616 a-Alanine, conf. I
263563.8877 3.6260 -5.6840 3 717.6087561 89502 30393 786 93 687 a-Alanine, conf. I
263563.8877 3.6260 -5.6840 3 717.6087561 89502 30393 886 93 787 a-Alanine, conf. I
263641.5023 2.0183 -5.9481 3 1080.6759573 89502 303955837 955738 a-Alanine, conf. I
263641.5023 2.0183 -5.9481 3 1080.6759573 89502 303955838 955739 a-Alanine, conf. I
263642.5010 0.7223 -5.3666 3 143.1275231 89502 303381325 371225 a-Alanine, conf. I
263647.2588 0.1614 -5.8583 3 98.2419213 89502 30335 332 34 232 a-Alanine, conf. I
263647.2588 0.1614 -5.8583 3 98.2419213 89502 30335 432 34 332 a-Alanine, conf. I
263652.5340 0.2316 -4.7145 3 251.4127339 89502 30356 353 55 352 a-Alanine, conf. I
263652.5340 0.2316 -4.1124 3 251.4127339 89502 30356 353 55 452 a-Alanine, conf. I
263652.5340 0.2316 -4.1124 3 251.4127339 89502 30356 453 55 352 a-Alanine, conf. I
263652.5340 0.2316 -4.7145 3 251.4127339 89502 30356 453 55 452 a-Alanine, conf. I
263684.3191 0.7696 -5.5465 3 695.4863423 89502 303705713 705614 a-Alanine, conf. I
263684.3191 0.7696 -5.5465 3 695.4863423 89502 303705714 705615 a-Alanine, conf. I
263751.9244 2.4623 -5.3875 3 423.3088387 89502 303642540 632637 a-Alanine, conf. I
263767.7281 0.2278 -5.4665 3 121.2331219 89502 30336 927 35 827 a-Alanine, conf. I
263783.8693 0.2264 -5.4665 3 121.2332219 89502 303361027 35 927 a-Alanine, conf. I
263800.3109 0.7820 -5.5499 3 682.8026417 89502 303695712 695613 a-Alanine, conf. I
263800.3109 0.7820 -5.5499 3 682.8026417 89502 303695713 695614 a-Alanine, conf. I
263848.5557 4.0984 -5.7507 3 634.0633537 89502 30389 485 89 386 a-Alanine, conf. I
263848.5557 4.0984 -5.7507 3 634.0633537 89502 30389 585 89 486 a-Alanine, conf. I
263857.5551 0.2997 -4.9751 3 266.6226291 89502 303482820 472819 a-Alanine, conf. I
263857.5551 0.2997 -4.9751 3 266.6226291 89502 303482821 472820 a-Alanine, conf. I
263858.8065 0.8890 -4.7780 3 216.2503279 89502 303461828 451827 a-Alanine, conf. I
263862.2777 0.0335 -5.3137 3 113.5342183 89502 3033022 8 2921 8 a-Alanine, conf. I
263862.2777 0.0335 -4.2144 3 113.5342183 89502 3033022 8 2921 9 a-Alanine, conf. I
263862.2777 0.0335 -4.2144 3 113.5342183 89502 3033022 9 2921 8 a-Alanine, conf. I
263862.2777 0.0335 -5.3137 3 113.5342183 89502 3033022 9 2921 9 a-Alanine, conf. I
263905.6499 0.5197 -4.8129 3 229.7359285 89502 303472028 462027 a-Alanine, conf. I
263910.9487 0.7987 -5.5561 3 670.3013411 89502 303685711 685612 a-Alanine, conf. I
263910.9487 0.7987 -5.5561 3 670.3013411 89502 303685712 685613 a-Alanine, conf. I
263933.8633 1.9212 -5.9220 3 1063.4223567 89502 303945836 945737 a-Alanine, conf. I
263933.8633 1.9212 -5.9220 3 1063.4223567 89502 303945837 945738 a-Alanine, conf. I
263970.8543 0.1821 -4.4170 3 232.2385297 89502 303491336 481435 a-Alanine, conf. I
263979.2994 0.1820 -4.7706 3 232.2385297 89502 303491436 481435 a-Alanine, conf. I
263989.2940 0.1820 -4.7706 3 232.2378297 89502 303491336 481335 a-Alanine, conf. I
263992.2127 0.1967 -4.7674 3 220.0616285 89502 303471532 461531 a-Alanine, conf. I
263997.7391 0.1820 -4.4170 3 232.2378297 89502 303491436 481335 a-Alanine, conf. I
264016.3926 0.8191 -5.5656 3 657.9825405 89502 303675710 675611 a-Alanine, conf. I
264016.3926 0.8191 -5.5656 3 657.9825405 89502 303675711 675612 a-Alanine, conf. I
264026.1519 0.1802 -4.7363 3 248.8325327 89502 30354 648 53 647 a-Alanine, conf. I
264026.1519 0.1802 -4.1781 3 248.8325327 89502 30354 648 53 747 a-Alanine, conf. I
264026.1519 0.1802 -4.1781 3 248.8325327 89502 30354 748 53 647 a-Alanine, conf. I
264026.1519 0.1802 -4.7363 3 248.8325327 89502 30354 748 53 747 a-Alanine, conf. I
264116.7997 0.8426 -5.5791 3 645.8461399 89502 3036657 9 665610 a-Alanine, conf. I
264116.7997 0.8426 -5.5791 3 645.8461399 89502 303665710 665611 a-Alanine, conf. I
264131.9598 0.9151 -4.6473 3 202.7942273 89502 303451630 441529 a-Alanine, conf. I
264172.6279 0.2780 -5.3666 3 136.3879225 89502 303371424 361324 a-Alanine, conf. I
264201.7429 0.5750 -4.8119 3 229.7446285 89502 303472027 462026 a-Alanine, conf. I
264212.3246 0.8689 -5.5973 3 633.8921393 89502 3036557 8 6556 9 a-Alanine, conf. I
264212.3246 0.8689 -5.5973 3 633.8921393 89502 3036557 9 655610 a-Alanine, conf. I
264216.3692 1.8275 -5.8965 3 1046.3522561 89502 303935835 935736 a-Alanine, conf. I
264216.3692 1.8275 -5.8965 3 1046.3522561 89502 303935836 935737 a-Alanine, conf. I
264230.3684 3.3991 -5.7041 3 780.4222579 89502 30396 987 96 888 a-Alanine, conf. I
264230.3684 3.3991 -5.7041 3 780.4222579 89502 303961087 96 988 a-Alanine, conf. I
264237.5427 0.0834 -4.5133 3 133.4496219 89502 303361621 351520 a-Alanine, conf. I
264272.1844 0.3220 -4.9496 3 262.4527291 89502 303482721 472720 a-Alanine, conf. I
264272.1844 0.3220 -4.9496 3 262.4527291 89502 303482722 472721 a-Alanine, conf. I
264303.1189 0.8974 -5.6212 3 622.1204387 89502 3036457 7 6456 8 a-Alanine, conf. I
264303.1189 0.8974 -5.6212 3 622.1204387 89502 3036457 8 6456 9 a-Alanine, conf. I
264389.3320 0.9278 -5.6522 3 610.5310381 89502 3036357 6 6356 7 a-Alanine, conf. I
264389.3320 0.9278 -5.6522 3 610.5310381 89502 3036357 7 6356 8 a-Alanine, conf. I
264409.3141 0.1845 -4.2573 3 244.3450315 89502 30352 943 511042 a-Alanine, conf. I
264409.3141 0.1845 -4.7543 3 244.3450315 89502 303521043 511042 a-Alanine, conf. I
264409.3142 0.1845 -4.7543 3 244.3450315 89502 30352 943 51 942 a-Alanine, conf. I
264409.3142 0.1845 -4.2573 3 244.3450315 89502 303521043 51 942 a-Alanine, conf. I
264458.5507 0.1942 -6.0185 3 94.9575213 89502 30335 233 34 133 a-Alanine, conf. I
264458.5507 0.1942 -6.0185 3 94.9575213 89502 30335 333 34 233 a-Alanine, conf. I
264464.5810 3.1229 -5.5639 3 517.0708423 89502 303703041 693138 a-Alanine, conf. I
264471.1105 0.9597 -5.6925 3 599.1238375 89502 3036257 5 6256 6 a-Alanine, conf. I
264471.1105 0.9597 -5.6925 3 599.1238375 89502 3036257 6 6256 7 a-Alanine, conf. I
264489.2645 1.7370 -5.8717 3 1029.4656555 89502 303925834 925735 a-Alanine, conf. I
264489.2645 1.7370 -5.8717 3 1029.4656555 89502 303925835 925736 a-Alanine, conf. I
264497.3330 3.1445 -5.5638 3 517.0708423 89502 303703040 693139 a-Alanine, conf. I
264499.6792 4.2134 -6.0938 3 1124.3745669 89502 303B11992 B11893 a-Alanine, conf. I
264499.6792 4.2134 -6.0938 3 1124.3745669 89502 303B12092 B11993 a-Alanine, conf. I
264516.6365 0.0381 -5.3215 3 115.8511189 89502 303312110 302010 a-Alanine, conf. I
264516.6365 0.0381 -4.2452 3 115.8511189 89502 303312110 302011 a-Alanine, conf. I
264516.6365 0.0381 -4.2452 3 115.8511189 89502 303312111 302010 a-Alanine, conf. I
264516.6365 0.0381 -5.3215 3 115.8511189 89502 303312111 302011 a-Alanine, conf. I
264548.5988 0.9929 -5.7453 3 587.8988369 89502 3036157 4 6156 5 a-Alanine, conf. I
264548.5988 0.9929 -5.7453 3 587.8988369 89502 3036157 5 6156 6 a-Alanine, conf. I
264552.9891 0.6863 -4.6129 3 211.3723279 89502 303461631 451530 a-Alanine, conf. I
264608.3247 0.0645 -5.3527 3 133.4496219 89502 303361620 351520 a-Alanine, conf. I
264621.9386 1.0269 -5.8162 3 576.8559363 89502 3036057 3 6056 4 a-Alanine, conf. I
264621.9386 1.0269 -5.8162 3 576.8559363 89502 3036057 4 6056 5 a-Alanine, conf. I
264685.4885 3.7548 -5.4084 3 438.7703393 89502 303652639 642738 a-Alanine, conf. I
264691.2692 1.0616 -5.9154 3 565.9951357 89502 3035957 2 5956 3 a-Alanine, conf. I
264691.2692 1.0616 -5.9154 3 565.9951357 89502 3035957 3 5956 4 a-Alanine, conf. I
264706.8604 3.2431 -5.7507 3 845.2486597 89502 303991188 991089 a-Alanine, conf. I
264706.8604 3.2431 -5.7507 3 845.2486597 89502 303991288 991189 a-Alanine, conf. I
264746.3845 0.3466 -4.9254 3 258.4595291 89502 303482623 472622 a-Alanine, conf. I
264746.3850 0.3466 -4.9254 3 258.4595291 89502 303482622 472621 a-Alanine, conf. I
264752.7877 1.6498 -5.8476 3 1012.7624549 89502 303915833 915734 a-Alanine, conf. I
264752.7877 1.6498 -5.8476 3 1012.7624549 89502 303915834 915735 a-Alanine, conf. I
264756.7277 1.0969 -6.0660 3 555.3163351 89502 3035857 1 5856 2 a-Alanine, conf. I
264756.7277 1.0969 -6.0660 3 555.3163351 89502 3035857 2 5856 3 a-Alanine, conf. I
264777.1284 3.8274 -5.6978 3 694.1602555 89502 30392 686 92 587 a-Alanine, conf. I
264777.1284 3.8274 -5.6978 3 694.1602555 89502 30392 786 92 687 a-Alanine, conf. I
264827.4107 0.2955 -4.7729 3 222.4914285 89502 303471731 461730 a-Alanine, conf. I
264892.5057 3.6713 -5.9902 3 1051.6527651 89502 303A81791 A81692 a-Alanine, conf. I
264892.5057 3.6713 -5.9902 3 1051.6527651 89502 303A81891 A81792 a-Alanine, conf. I
264945.8802 4.3136 -5.8246 3 611.5234531 89502 30388 385 88 286 a-Alanine, conf. I
264945.8802 4.3136 -5.8246 3 611.5234531 89502 30388 485 88 386 a-Alanine, conf. I
264983.4669 3.2064 -5.8164 3 912.0730615 89502 303A21389 A21290 a-Alanine, conf. I
264983.4669 3.2064 -5.8164 3 912.0730615 89502 303A21489 A21390 a-Alanine, conf. I
265001.9500 0.3455 -5.3832 3 134.4491225 89502 303371325 361225 a-Alanine, conf. I
265007.0650 0.2796 -4.7052 3 254.7714345 89502 30357 255 56 254 a-Alanine, conf. I
265007.0650 0.2796 -4.0908 3 254.7714345 89502 30357 255 56 354 a-Alanine, conf. I
265007.0650 0.2796 -4.0908 3 254.7714345 89502 30357 355 56 254 a-Alanine, conf. I
265007.0650 0.2796 -4.7052 3 254.7714345 89502 30357 355 56 354 a-Alanine, conf. I
265007.1722 1.5659 -5.8243 3 996.2427543 89502 303905832 905733 a-Alanine, conf. I
265007.1722 1.5659 -5.8243 3 996.2427543 89502 303905833 905734 a-Alanine, conf. I
265025.4645 1.0932 -4.6771 3 194.3313267 89502 303441629 431528 a-Alanine, conf. I
265049.3381 3.3382 -5.8971 3 980.8798633 89502 303A51590 A51491 a-Alanine, conf. I
265049.3381 3.3382 -5.8971 3 980.8798633 89502 303A51690 A51591 a-Alanine, conf. I
265057.8938 0.1864 -4.3636 3 237.8279303 89502 303501238 491337 a-Alanine, conf. I
265058.2140 0.1864 -4.7667 3 237.8279303 89502 303501338 491337 a-Alanine, conf. I
265058.6355 0.1864 -4.7667 3 237.8279303 89502 303501238 491237 a-Alanine, conf. I
265058.9557 0.1865 -4.3636 3 237.8279303 89502 303501338 491237 a-Alanine, conf. I
265106.6152 0.0434 -4.2798 3 118.5422195 89502 303322013 311912 a-Alanine, conf. I
265106.6153 0.0434 -5.3287 3 118.5422195 89502 303322012 311912 a-Alanine, conf. I
265106.6158 0.0434 -5.3287 3 118.5422195 89502 303322013 311913 a-Alanine, conf. I
265106.6159 0.0434 -4.2798 3 118.5422195 89502 303322012 311913 a-Alanine, conf. I
265177.0612 0.5272 -4.7941 3 227.1364285 89502 303471929 461928 a-Alanine, conf. I
265209.7902 0.1860 -5.5271 3 70.5828171 89502 30328 721 27 622 a-Alanine, conf. I
265252.6459 1.4854 -5.8018 3 979.9062537 89502 303895831 895732 a-Alanine, conf. I
265252.6459 1.4854 -5.8018 3 979.9062537 89502 303895832 895733 a-Alanine, conf. I
265294.0830 0.3739 -4.9022 3 254.6468291 89502 303482524 472523 a-Alanine, conf. I
265294.0901 0.3739 -4.9022 3 254.6468291 89502 303482523 472522 a-Alanine, conf. I
265310.1896 0.1821 -5.5268 3 70.5827171 89502 30328 821 27 522 a-Alanine, conf. I
265405.3135 0.1903 -4.7278 3 252.8189333 89502 30355 550 54 549 a-Alanine, conf. I
265405.3135 0.1903 -4.1530 3 252.8189333 89502 30355 550 54 649 a-Alanine, conf. I
265405.3135 0.1903 -4.1530 3 252.8189333 89502 30355 650 54 549 a-Alanine, conf. I
265405.3135 0.1903 -4.7278 3 252.8189333 89502 30355 650 54 649 a-Alanine, conf. I
265477.4994 0.3332 -4.5614 3 228.9426291 89502 303481533 471632 a-Alanine, conf. I
265489.4315 1.4084 -5.7801 3 963.7530531 89502 303885830 885731 a-Alanine, conf. I
265489.4315 1.4084 -5.7801 3 963.7530531 89502 303885831 885732 a-Alanine, conf. I
265497.5577 0.0744 -5.3503 3 133.4075219 89502 303361621 351521 a-Alanine, conf. I
265515.4401 0.1855 -5.5002 3 118.6916219 89502 30336 828 35 728 a-Alanine, conf. I
265516.7494 0.1854 -5.5002 3 118.6916219 89502 30336 928 35 828 a-Alanine, conf. I
265529.3043 3.5762 -5.7005 3 756.2909573 89502 30395 887 95 788 a-Alanine, conf. I
265529.3043 3.5762 -5.7005 3 756.2909573 89502 30395 987 95 888 a-Alanine, conf. I
265589.3183 0.0491 -4.3195 3 121.6201201 89502 303331915 321814 a-Alanine, conf. I
265589.3270 0.0491 -5.3352 3 121.6201201 89502 303331914 321814 a-Alanine, conf. I
265589.3662 0.0491 -5.3352 3 121.6201201 89502 303331915 321815 a-Alanine, conf. I
265589.3749 0.0491 -4.3195 3 121.6201201 89502 303331914 321815 a-Alanine, conf. I
265649.7145 3.1553 -5.5223 3 500.0044417 89502 303692941 683038 a-Alanine, conf. I
265717.7473 1.3350 -5.7592 3 947.7831525 89502 303875829 875730 a-Alanine, conf. I
265717.7473 1.3350 -5.7592 3 947.7831525 89502 303875830 875731 a-Alanine, conf. I
265769.2584 3.2274 -5.5218 3 500.0042417 89502 303692940 683039 a-Alanine, conf. I
265770.1071 0.1849 -4.7471 3 248.9797321 89502 30353 845 52 844 a-Alanine, conf. I
265770.1071 0.1849 -4.2261 3 248.9797321 89502 30353 845 52 944 a-Alanine, conf. I
265770.1071 0.1849 -4.2261 3 248.9797321 89502 30353 945 52 844 a-Alanine, conf. I
265770.1071 0.1849 -4.7471 3 248.9797321 89502 30353 945 52 944 a-Alanine, conf. I
265791.4082 0.4443 -4.7794 3 224.7524285 89502 303471830 461829 a-Alanine, conf. I
265801.5274 0.0593 -4.4266 3 129.0223213 89502 303351719 341618 a-Alanine, conf. I
265817.9283 0.0598 -5.3463 3 129.0223213 89502 303351718 341618 a-Alanine, conf. I
265858.3392 0.6620 -5.3374 3 151.9216237 89502 303391425 381325 a-Alanine, conf. I
265868.3397 0.0994 -4.5094 3 133.4075219 89502 303361620 351521 a-Alanine, conf. I
265869.5429 0.0613 -5.3461 3 129.0200213 89502 303351719 341619 a-Alanine, conf. I
265885.9438 0.0620 -4.4264 3 129.0200213 89502 303351718 341619 a-Alanine, conf. I
265886.1147 0.0551 -4.3668 3 125.1033207 89502 303341817 331716 a-Alanine, conf. I
265886.5800 0.0551 -5.3410 3 125.1033207 89502 303341816 331716 a-Alanine, conf. I
265888.3671 0.0552 -5.3410 3 125.1033207 89502 303341817 331717 a-Alanine, conf. I
265888.8324 0.0552 -4.3668 3 125.1033207 89502 303341816 331717 a-Alanine, conf. I
265916.1027 3.0587 -4.9299 3 263.7095309 89502 303511833 501932 a-Alanine, conf. I
265934.5782 0.4046 -4.8801 3 251.0197291 89502 303482425 472424 a-Alanine, conf. I
265934.6731 0.4047 -4.8801 3 251.0197291 89502 303482424 472423 a-Alanine, conf. I
265937.8066 1.2653 -5.7391 3 931.9963519 89502 303865828 865729 a-Alanine, conf. I
265937.8066 1.2653 -5.7391 3 931.9963519 89502 303865829 865730 a-Alanine, conf. I
265953.3640 4.0377 -5.7243 3 670.9279549 89502 30391 586 91 487 a-Alanine, conf. I
265953.3640 4.0377 -5.7243 3 670.9279549 89502 30391 686 91 587 a-Alanine, conf. I
266009.6366 4.5310 -5.9501 3 589.2039525 89502 30387 285 87 186 a-Alanine, conf. I
266009.6366 4.5310 -5.9501 3 589.2039525 89502 30387 385 87 286 a-Alanine, conf. I
266096.4069 3.3753 -5.7358 3 820.4414591 89502 303981088 98 989 a-Alanine, conf. I
266096.4069 3.3753 -5.7358 3 820.4414591 89502 303981188 981089 a-Alanine, conf. I
266121.5712 0.1624 -5.3521 3 138.2437225 89502 303371523 361423 a-Alanine, conf. I
266127.7194 4.9063 -5.3312 3 396.5189375 89502 303622438 612537 a-Alanine, conf. I
266149.8183 1.1995 -5.7199 3 916.3927513 89502 303855827 855728 a-Alanine, conf. I
266149.8183 1.1995 -5.7199 3 916.3927513 89502 303855828 855729 a-Alanine, conf. I
266176.4194 0.3787 -5.9371 3 378.7225297 89502 3034946 3 4846 2 a-Alanine, conf. I
266176.4194 0.3787 -5.9371 3 378.7225297 89502 3034946 4 4846 3 a-Alanine, conf. I
266243.3840 0.4749 -4.5792 3 220.0616285 89502 303471632 461531 a-Alanine, conf. I
266256.1912 0.3523 -5.8017 3 371.6115297 89502 3034945 4 4845 3 a-Alanine, conf. I
266256.1912 0.3523 -5.8017 3 371.6115297 89502 3034945 5 4845 4 a-Alanine, conf. I
266273.9102 0.1902 -4.3196 3 243.1668309 89502 303511140 501239 a-Alanine, conf. I
266273.9196 0.1902 -4.7616 3 243.1668309 89502 303511240 501239 a-Alanine, conf. I
266273.9330 0.1902 -4.7616 3 243.1668309 89502 303511140 501139 a-Alanine, conf. I
266273.9424 0.1902 -4.3196 3 243.1668309 89502 303511240 501139 a-Alanine, conf. I
266311.6065 3.9614 -6.0547 3 1096.9390663 89502 303B01892 B01793 a-Alanine, conf. I
266311.6065 3.9614 -6.0547 3 1096.9390663 89502 303B01992 B01893 a-Alanine, conf. I
266325.5038 0.1216 -5.3280 3 153.1982237 89502 303391524 381424 a-Alanine, conf. I
266342.5156 0.3275 -5.6947 3 364.6595297 89502 3034944 5 4844 4 a-Alanine, conf. I
266342.5156 0.3275 -5.6947 3 364.6595297 89502 3034944 6 4844 5 a-Alanine, conf. I
266346.8742 0.3430 -4.6957 3 257.9376351 89502 30358 157 57 156 a-Alanine, conf. I
266346.8742 0.3430 -4.0702 3 257.9376351 89502 30358 157 57 256 a-Alanine, conf. I
266346.8742 0.3430 -4.0702 3 257.9376351 89502 30358 257 57 156 a-Alanine, conf. I
266346.8742 0.3430 -4.6957 3 257.9376351 89502 30358 257 57 256 a-Alanine, conf. I
266353.9872 1.1378 -5.7016 3 900.9721507 89502 303845826 845727 a-Alanine, conf. I
266353.9872 1.1378 -5.7016 3 900.9721507 89502 303845827 845728 a-Alanine, conf. I
266367.3008 0.1079 -5.8195 3 61.6977165 89502 30327 522 26 423 a-Alanine, conf. I
266368.4858 0.1079 -5.8195 3 61.6977165 89502 30327 622 26 323 a-Alanine, conf. I
266414.0904 0.0471 -5.2661 3 112.5817165 89502 3032726 1 2625 1 a-Alanine, conf. I
266414.0904 0.0471 -4.1079 3 112.5817165 89502 3032726 1 2625 2 a-Alanine, conf. I
266414.0904 0.0471 -4.1079 3 112.5817165 89502 3032726 2 2625 1 a-Alanine, conf. I
266414.0904 0.0471 -5.2661 3 112.5817165 89502 3032726 2 2625 2 a-Alanine, conf. I
266436.0061 0.3045 -5.6057 3 357.8668297 89502 3034943 6 4843 5 a-Alanine, conf. I
266436.0061 0.3045 -5.6057 3 357.8668297 89502 3034943 7 4843 6 a-Alanine, conf. I
266469.0115 3.2676 -5.7934 3 886.5971609 89502 303A11289 A11190 a-Alanine, conf. I
266469.0115 3.2676 -5.7934 3 886.5971609 89502 303A11389 A11290 a-Alanine, conf. I
266537.3548 0.2838 -5.5294 3 351.2336297 89502 3034942 7 4842 6 a-Alanine, conf. I
266537.3548 0.2838 -5.5294 3 351.2336297 89502 3034942 8 4842 7 a-Alanine, conf. I
266550.5137 1.0804 -5.6843 3 885.7346501 89502 303835825 835726 a-Alanine, conf. I
266550.5137 1.0804 -5.6843 3 885.7346501 89502 303835826 835727 a-Alanine, conf. I
266588.5257 3.5279 -5.9555 3 1024.8622645 89502 303A71691 A71592 a-Alanine, conf. I
266588.5257 3.5279 -5.9555 3 1024.8622645 89502 303A71791 A71692 a-Alanine, conf. I
266636.8227 3.3038 -5.8677 3 954.7427627 89502 303A41490 A41391 a-Alanine, conf. I
266636.8227 3.3038 -5.8677 3 954.7427627 89502 303A41590 A41491 a-Alanine, conf. I
266647.3454 0.2655 -5.4624 3 344.7603297 89502 3034941 8 4841 7 a-Alanine, conf. I
266647.3454 0.2655 -5.4624 3 344.7603297 89502 3034941 9 4841 8 a-Alanine, conf. I
266649.1072 0.3805 -5.4041 3 132.3297225 89502 303371126 361026 a-Alanine, conf. I
266683.2364 0.1937 -4.7683 3 228.9426291 89502 303481633 471632 a-Alanine, conf. I
266695.6112 0.4401 -4.8587 3 247.5846291 89502 303482326 472325 a-Alanine, conf. I
266696.7033 0.4404 -4.8587 3 247.5847291 89502 303482325 472324 a-Alanine, conf. I
266739.5945 1.0276 -5.6680 3 870.6801495 89502 303825824 825725 a-Alanine, conf. I
266739.5945 1.0276 -5.6680 3 870.6801495 89502 303825825 825726 a-Alanine, conf. I
266766.8687 0.2500 -5.4025 3 338.4473297 89502 3034940 9 4840 8 a-Alanine, conf. I
266766.8687 0.2500 -5.4025 3 338.4473297 89502 303494010 4840 9 a-Alanine, conf. I
266778.2793 0.2112 -4.7192 3 256.6101339 89502 30356 452 55 451 a-Alanine, conf. I
266778.2793 0.2112 -4.1296 3 256.6101339 89502 30356 452 55 551 a-Alanine, conf. I
266778.2793 0.2112 -4.1296 3 256.6101339 89502 30356 552 55 451 a-Alanine, conf. I
266778.2793 0.2112 -4.7192 3 256.6101339 89502 30356 552 55 551 a-Alanine, conf. I
266788.7530 3.7704 -5.7043 3 732.3726567 89502 30394 787 94 688 a-Alanine, conf. I
266788.7530 3.7704 -5.7043 3 732.3726567 89502 30394 887 94 788 a-Alanine, conf. I
266820.7231 0.7802 -4.7884 3 227.1961285 89502 303471928 461927 a-Alanine, conf. I
266860.4501 0.1912 -4.7462 3 213.0371279 89502 303461630 451629 a-Alanine, conf. I
266896.9420 0.2378 -5.3484 3 332.2950297 89502 303493910 4839 9 a-Alanine, conf. I
266896.9420 0.2378 -5.3484 3 332.2950297 89502 303493911 483910 a-Alanine, conf. I
266901.3948 0.1053 -5.3069 3 88.0794183 89502 303301219 29 920 a-Alanine, conf. I
266921.4224 0.9797 -5.6527 3 855.8085489 89502 303815823 815724 a-Alanine, conf. I
266921.4224 0.9797 -5.6527 3 855.8085489 89502 303815824 815725 a-Alanine, conf. I
266936.7613 1.1634 -4.6949 3 186.0001261 89502 303431628 421527 a-Alanine, conf. I
266984.3466 0.1544 -5.5413 3 115.9936219 89502 30336 729 35 629 a-Alanine, conf. I
266984.4308 0.1544 -5.5413 3 115.9936219 89502 30336 829 35 729 a-Alanine, conf. I
267038.7318 0.2292 -5.2991 3 326.3038297 89502 303493811 483810 a-Alanine, conf. I
267038.7318 0.2292 -5.2991 3 326.3038297 89502 303493812 483811 a-Alanine, conf. I
267090.2676 3.1781 -5.4816 3 483.2920411 89502 303682841 672938 a-Alanine, conf. I
267093.8678 4.2540 -5.7692 3 647.9131543 89502 30390 486 90 387 a-Alanine, conf. I
267093.8678 4.2540 -5.7692 3 647.9131543 89502 30390 586 90 487 a-Alanine, conf. I
267096.1862 0.9370 -5.6386 3 841.1199483 89502 303805822 805723 a-Alanine, conf. I
267096.1862 0.9370 -5.6386 3 841.1199483 89502 303805823 805724 a-Alanine, conf. I
267144.5603 0.1859 -4.7395 3 253.4097327 89502 30354 747 53 746 a-Alanine, conf. I
267144.5603 0.1859 -4.1977 3 253.4097327 89502 30354 747 53 846 a-Alanine, conf. I
267144.5603 0.1859 -4.1977 3 253.4097327 89502 30354 847 53 746 a-Alanine, conf. I
267144.5603 0.1859 -4.7395 3 253.4097327 89502 30354 847 53 846 a-Alanine, conf. I
267148.0738 0.0367 -5.2757 3 113.6564171 89502 3032825 3 2724 3 a-Alanine, conf. I
267148.0738 0.0367 -4.1312 3 113.6564171 89502 3032825 3 2724 4 a-Alanine, conf. I
267148.0738 0.0367 -4.1312 3 113.6564171 89502 3032825 4 2724 3 a-Alanine, conf. I
267148.0738 0.0367 -5.2757 3 113.6564171 89502 3032825 4 2724 4 a-Alanine, conf. I
267157.8180 3.5117 -6.0070 3 721.4264489 89502 303814041 804140 a-Alanine, conf. I
267157.8180 3.5117 -6.0070 3 721.4264489 89502 303814042 804139 a-Alanine, conf. I
267158.5089 3.5578 -6.0553 3 742.4416495 89502 303824141 814240 a-Alanine, conf. I
267158.5089 3.5578 -6.0553 3 742.4416495 89502 303824142 814239 a-Alanine, conf. I
267175.5256 0.4674 -6.0396 3 114.6831207 89502 303341321 331122 a-Alanine, conf. I
267193.5831 0.2243 -5.2537 3 320.4743297 89502 303493712 483711 a-Alanine, conf. I
267193.5831 0.2243 -5.2537 3 320.4743297 89502 303493713 483712 a-Alanine, conf. I
267198.1838 0.2818 -5.2681 3 86.4611183 89502 303301120 29 821 a-Alanine, conf. I
267206.2123 3.4689 -5.9592 3 700.7505483 89502 303803942 794039 a-Alanine, conf. I
267206.2124 3.4689 -5.9592 3 700.7505483 89502 303803941 794040 a-Alanine, conf. I
267221.3032 2.4832 -6.0995 3 1178.4389603 89502 303A05941 A05842 a-Alanine, conf. I
267221.3032 2.4832 -6.0995 3 1178.4389603 89502 303A05942 A05843 a-Alanine, conf. I
267240.0401 0.3326 -5.4023 3 132.3364225 89502 303371226 361126 a-Alanine, conf. I
267264.0716 0.8997 -5.6256 3 826.6140477 89502 303795821 795722 a-Alanine, conf. I
267264.0716 0.8997 -5.6256 3 826.6140477 89502 303795822 795723 a-Alanine, conf. I
267310.9218 3.4299 -5.9120 3 680.4145477 89502 303793842 783939 a-Alanine, conf. I
267310.9224 3.4299 -5.9120 3 680.4145477 89502 303793841 783940 a-Alanine, conf. I
267363.0551 0.2234 -5.2116 3 314.8070297 89502 303493613 483612 a-Alanine, conf. I
267363.0551 0.2234 -5.2116 3 314.8070297 89502 303493614 483613 a-Alanine, conf. I
267412.4408 0.1900 -4.4639 3 235.1449297 89502 303491435 481534 a-Alanine, conf. I
267425.2606 0.8681 -5.6139 3 812.2910471 89502 303785820 785721 a-Alanine, conf. I
267425.2606 0.8681 -5.6139 3 812.2910471 89502 303785821 785722 a-Alanine, conf. I
267443.7416 3.5361 -5.7259 3 795.8439585 89502 30397 988 97 889 a-Alanine, conf. I
267443.7416 3.5361 -5.7259 3 795.8439585 89502 303971088 97 989 a-Alanine, conf. I
267480.6586 3.3955 -5.8654 3 660.4192471 89502 303783742 773839 a-Alanine, conf. I
267480.6616 3.3955 -5.8654 3 660.4192471 89502 303783741 773840 a-Alanine, conf. I
267492.8336 0.1875 -4.7675 3 235.1449297 89502 303491535 481534 a-Alanine, conf. I
267502.9332 3.4038 -5.4801 3 483.2912411 89502 303682840 672939 a-Alanine, conf. I
267545.3525 2.3717 -6.0703 3 1160.2784597 89502 303995940 995841 a-Alanine, conf. I
267545.3525 2.3717 -6.0703 3 1160.2784597 89502 303995941 995842 a-Alanine, conf. I
267548.9667 0.2264 -5.1725 3 309.3028297 89502 303493514 483513 a-Alanine, conf. I
267548.9667 0.2264 -5.1725 3 309.3028297 89502 303493515 483514 a-Alanine, conf. I
267567.6344 0.1927 -4.2817 3 248.2749315 89502 303521042 511141 a-Alanine, conf. I
267567.6346 0.1927 -4.7557 3 248.2749315 89502 303521142 511141 a-Alanine, conf. I
267567.6350 0.1927 -4.7557 3 248.2749315 89502 303521042 511041 a-Alanine, conf. I
267567.6352 0.1927 -4.2817 3 248.2749315 89502 303521142 511041 a-Alanine, conf. I
267578.4015 0.1866 -4.7672 3 235.1394297 89502 303491435 481434 a-Alanine, conf. I
267579.9318 0.8424 -5.6035 3 798.1507465 89502 303775819 775720 a-Alanine, conf. I
267579.9318 0.8424 -5.6035 3 798.1507465 89502 303775820 775721 a-Alanine, conf. I
267617.1857 0.4820 -4.8381 3 244.3508291 89502 303482227 472226 a-Alanine, conf. I
267627.9228 0.4846 -4.8380 3 244.3510291 89502 303482226 472225 a-Alanine, conf. I
267658.7944 0.1867 -4.4631 3 235.1394297 89502 303491535 481434 a-Alanine, conf. I
267670.0263 0.4216 -4.6861 3 260.9110357 89502 30359 059 58 058 a-Alanine, conf. I
267670.0263 0.4216 -4.0505 3 260.9110357 89502 30359 059 58 158 a-Alanine, conf. I
267670.0263 0.4216 -4.0505 3 260.9110357 89502 30359 159 58 058 a-Alanine, conf. I
267670.0263 0.4216 -4.6861 3 260.9110357 89502 30359 159 58 158 a-Alanine, conf. I
267726.0425 3.3664 -5.8194 3 640.7652465 89502 303773642 763739 a-Alanine, conf. I
267726.0564 3.3664 -5.8194 3 640.7652465 89502 303773641 763740 a-Alanine, conf. I
267728.2608 0.8229 -5.5945 3 784.1931459 89502 303765818 765719 a-Alanine, conf. I
267728.2608 0.8229 -5.5945 3 784.1931459 89502 303765819 765720 a-Alanine, conf. I
267728.6707 0.1907 -4.7644 3 228.8675291 89502 303481533 471532 a-Alanine, conf. I
267753.4542 0.2330 -5.1360 3 303.9623297 89502 303493415 483414 a-Alanine, conf. I
267753.4542 0.2330 -5.1360 3 303.9623297 89502 303493416 483415 a-Alanine, conf. I
267858.9814 2.2635 -6.0418 3 1142.3013591 89502 303985939 985840 a-Alanine, conf. I
267858.9814 2.2635 -6.0418 3 1142.3013591 89502 303985940 985841 a-Alanine, conf. I
267870.4197 0.8095 -5.5871 3 770.4182453 89502 303755817 755718 a-Alanine, conf. I
267870.4197 0.8095 -5.5871 3 770.4182453 89502 303755818 755719 a-Alanine, conf. I
267872.5156 0.0325 -5.2849 3 115.0832177 89502 3032924 5 2823 5 a-Alanine, conf. I
267872.5156 0.0325 -4.1560 3 115.0832177 89502 3032924 5 2823 6 a-Alanine, conf. I
267872.5156 0.0325 -4.1560 3 115.0832177 89502 3032924 6 2823 5 a-Alanine, conf. I
267872.5156 0.0325 -5.2849 3 115.0832177 89502 3032924 6 2823 6 a-Alanine, conf. I
267909.3373 3.3712 -5.7739 3 861.3273603 89502 303A01189 A01090 a-Alanine, conf. I
267909.3373 3.3712 -5.7739 3 861.3273603 89502 303A01289 A01190 a-Alanine, conf. I
267979.0471 0.2430 -5.1017 3 298.7865297 89502 303493316 483315 a-Alanine, conf. I
267979.0471 0.2430 -5.1017 3 298.7865297 89502 303493317 483316 a-Alanine, conf. I
267993.2010 0.1531 -4.5356 3 140.2492225 89502 303371622 361521 a-Alanine, conf. I
268006.5780 0.8021 -5.5814 3 756.8259447 89502 303745816 745717 a-Alanine, conf. I
268006.5780 0.8021 -5.5814 3 756.8259447 89502 303745817 745718 a-Alanine, conf. I
268010.1148 3.9769 -5.7177 3 708.6688561 89502 30393 687 93 588 a-Alanine, conf. I
268010.1148 3.9769 -5.7177 3 708.6688561 89502 30393 787 93 688 a-Alanine, conf. I
268060.1863 3.3437 -5.7739 3 621.4536459 89502 303763542 753639 a-Alanine, conf. I
268060.2496 3.3438 -5.7739 3 621.4536459 89502 303763541 753640 a-Alanine, conf. I
268067.0425 3.7658 -6.0175 3 1069.6983657 89502 303A91792 A91693 a-Alanine, conf. I
268067.0425 3.7658 -6.0175 3 1069.6983657 89502 303A91892 A91793 a-Alanine, conf. I
268074.3842 7.4947 -5.7363 3 470.2990411 89502 303682445 672542 a-Alanine, conf. I
268136.9020 0.8007 -5.5775 3 743.4162441 89502 303735815 735716 a-Alanine, conf. I
268136.9020 0.8007 -5.5775 3 743.4162441 89502 303735816 735717 a-Alanine, conf. I
268141.3066 0.2461 -4.7104 3 260.2072345 89502 30357 354 56 353 a-Alanine, conf. I
268141.3066 0.2461 -4.1075 3 260.2072345 89502 30357 354 56 453 a-Alanine, conf. I
268141.3066 0.2461 -4.1075 3 260.2072345 89502 30357 454 56 353 a-Alanine, conf. I
268141.3066 0.2461 -4.7104 3 260.2072345 89502 30357 454 56 453 a-Alanine, conf. I
268162.4414 2.1587 -6.0140 3 1124.5076585 89502 303975938 975839 a-Alanine, conf. I
268162.4414 2.1587 -6.0140 3 1124.5076585 89502 303975939 975840 a-Alanine, conf. I
268175.7492 3.3238 -5.8410 3 928.8081621 89502 303A31390 A31291 a-Alanine, conf. I
268175.7492 3.3238 -5.8410 3 928.8081621 89502 303A31490 A31391 a-Alanine, conf. I
268177.4054 0.7343 -4.7464 3 214.4734279 89502 303461729 451728 a-Alanine, conf. I
268199.8443 4.4741 -5.8425 3 625.1171537 89502 30389 386 89 287 a-Alanine, conf. I
268199.8443 4.4741 -5.8425 3 625.1171537 89502 30389 486 89 387 a-Alanine, conf. I
268228.7659 0.2560 -5.0695 3 293.7766297 89502 303493217 483216 a-Alanine, conf. I
268228.7659 0.2560 -5.0695 3 293.7766297 89502 303493218 483217 a-Alanine, conf. I
268232.2553 3.4436 -5.9231 3 998.2705639 89502 303A61591 A61492 a-Alanine, conf. I
268232.2553 3.4436 -5.9231 3 998.2705639 89502 303A61691 A61592 a-Alanine, conf. I
268253.1608 0.1366 -5.5918 3 113.1478219 89502 30336 630 35 530 a-Alanine, conf. I
268253.1651 0.1366 -5.5918 3 113.1478219 89502 30336 730 35 630 a-Alanine, conf. I
268261.5550 0.8048 -5.5756 3 730.1890435 89502 303725814 725715 a-Alanine, conf. I
268261.5550 0.8048 -5.5756 3 730.1890435 89502 303725815 725716 a-Alanine, conf. I
268380.6977 0.8140 -5.5760 3 717.1442429 89502 303715813 715714 a-Alanine, conf. I
268380.6977 0.8140 -5.5760 3 717.1442429 89502 303715814 715715 a-Alanine, conf. I
268405.1430 0.1920 -4.4001 3 241.0439303 89502 303501337 491436 a-Alanine, conf. I
268408.9581 0.1920 -4.7652 3 241.0439303 89502 303501437 491436 a-Alanine, conf. I
268413.5881 0.1920 -4.7652 3 241.0436303 89502 303501337 491336 a-Alanine, conf. I
268417.4032 0.1920 -4.4000 3 241.0436303 89502 303501437 491336 a-Alanine, conf. I
268455.9778 2.0572 -5.9868 3 1106.8972579 89502 303965937 965838 a-Alanine, conf. I
268455.9778 2.0572 -5.9868 3 1106.8972579 89502 303965938 965839 a-Alanine, conf. I
268494.4881 0.8280 -5.5790 3 704.2819423 89502 303705812 705713 a-Alanine, conf. I
268494.4881 0.8280 -5.5790 3 704.2819423 89502 303705813 705714 a-Alanine, conf. I
268499.5077 3.3291 -5.7290 3 602.4852453 89502 303753442 743539 a-Alanine, conf. I
268499.7859 3.3293 -5.7290 3 602.4852453 89502 303753441 743540 a-Alanine, conf. I
268506.2551 0.2716 -5.0390 3 288.9336297 89502 303493118 483117 a-Alanine, conf. I
268506.2551 0.2716 -5.0390 3 288.9336297 89502 303493119 483118 a-Alanine, conf. I
268523.3197 0.1901 -4.7317 3 257.6395333 89502 30355 649 54 648 a-Alanine, conf. I
268523.3197 0.1901 -4.1717 3 257.6395333 89502 30355 649 54 748 a-Alanine, conf. I
268523.3197 0.1901 -4.1717 3 257.6395333 89502 30355 749 54 648 a-Alanine, conf. I
268523.3197 0.1901 -4.7317 3 257.6395333 89502 30355 749 54 748 a-Alanine, conf. I
268579.9613 0.0335 -5.2935 3 116.8661183 89502 3033023 7 2922 7 a-Alanine, conf. I
268579.9613 0.0335 -4.1825 3 116.8661183 89502 3033023 7 2922 8 a-Alanine, conf. I
268579.9613 0.0335 -4.1825 3 116.8661183 89502 3033023 8 2922 7 a-Alanine, conf. I
268579.9613 0.0335 -5.2935 3 116.8661183 89502 3033023 8 2922 8 a-Alanine, conf. I
268603.0814 0.8461 -5.5849 3 691.6020417 89502 303695811 695712 a-Alanine, conf. I
268603.0814 0.8461 -5.5849 3 691.6020417 89502 303695812 695713 a-Alanine, conf. I
268706.6303 0.8679 -5.5941 3 679.1044411 89502 303685810 685711 a-Alanine, conf. I
268706.6303 0.8679 -5.5941 3 679.1044411 89502 303685811 685712 a-Alanine, conf. I
268723.5078 3.1342 -5.4430 3 466.9383405 89502 303672741 662838 a-Alanine, conf. I
268739.8300 1.9591 -5.9603 3 1089.4700573 89502 303955936 955837 a-Alanine, conf. I
268739.8300 1.9591 -5.9603 3 1089.4700573 89502 303955937 955838 a-Alanine, conf. I
268745.5742 0.5298 -4.8179 3 241.3305291 89502 303482128 472127 a-Alanine, conf. I
268750.4131 3.7189 -5.7218 3 771.4576579 89502 30396 888 96 789 a-Alanine, conf. I
268750.4131 3.7189 -5.7218 3 771.4576579 89502 30396 988 96 889 a-Alanine, conf. I
268767.1519 0.7765 -5.1802 3 99.3914195 89502 303321121 311022 a-Alanine, conf. I
268799.9468 0.0888 -5.3419 3 140.2492225 89502 303371621 361521 a-Alanine, conf. I
268805.2849 0.8928 -5.6072 3 666.7891405 89502 3036758 9 675710 a-Alanine, conf. I
268805.2849 0.8928 -5.6072 3 666.7891405 89502 303675810 675711 a-Alanine, conf. I
268815.9629 0.2895 -5.0103 3 284.2593297 89502 303493019 483018 a-Alanine, conf. I
268815.9629 0.2895 -5.0103 3 284.2593297 89502 303493020 483019 a-Alanine, conf. I
268833.9485 0.5487 -4.8176 3 241.3329291 89502 303482127 472126 a-Alanine, conf. I
268886.0996 0.9934 -5.3976 3 420.1419387 89502 303642441 632538 a-Alanine, conf. I
268899.1929 0.9205 -5.6251 3 654.6561399 89502 3036658 8 6657 9 a-Alanine, conf. I
268899.1929 0.9205 -5.6251 3 654.6561399 89502 3036658 9 665710 a-Alanine, conf. I
268905.7722 0.1938 -4.7493 3 253.1648321 89502 30353 944 52 943 a-Alanine, conf. I
268905.7722 0.1938 -4.2484 3 253.1648321 89502 30353 944 521043 a-Alanine, conf. I
268905.7722 0.1938 -4.2484 3 253.1648321 89502 303531044 52 943 a-Alanine, conf. I
268905.7722 0.1938 -4.7493 3 253.1648321 89502 303531044 521043 a-Alanine, conf. I
268934.4077 0.3237 -4.5483 3 228.8675291 89502 303481633 471532 a-Alanine, conf. I
268988.4993 0.9503 -5.6486 3 642.7053393 89502 3036558 7 6557 8 a-Alanine, conf. I
268988.4993 0.9503 -5.6486 3 642.7053393 89502 3036558 8 6557 9 a-Alanine, conf. I
269014.2319 1.8643 -5.9344 3 1072.2262567 89502 303945935 945836 a-Alanine, conf. I
269014.2319 1.8643 -5.9344 3 1072.2262567 89502 303945936 945837 a-Alanine, conf. I
269064.8310 3.3243 -5.6846 3 583.8615447 89502 303743342 733439 a-Alanine, conf. I
269066.0093 3.3253 -5.6846 3 583.8615447 89502 303743341 733440 a-Alanine, conf. I
269073.3471 0.9820 -5.6793 3 630.9366387 89502 3036458 6 6457 7 a-Alanine, conf. I
269073.3471 0.9820 -5.6793 3 630.9366387 89502 3036458 7 6457 8 a-Alanine, conf. I
269079.7376 0.2599 -5.4160 3 77.4856177 89502 30329 821 28 722 a-Alanine, conf. I
269153.8767 1.0152 -5.7193 3 619.3501381 89502 3036358 5 6357 6 a-Alanine, conf. I
269153.8767 1.0152 -5.7193 3 619.3501381 89502 3036358 6 6357 7 a-Alanine, conf. I
269163.3942 0.3097 -4.9830 3 279.7553297 89502 303492920 482919 a-Alanine, conf. I
269163.3942 0.3097 -4.9830 3 279.7553297 89502 303492921 482920 a-Alanine, conf. I
269194.7111 4.1922 -5.7437 3 685.1809555 89502 30392 587 92 488 a-Alanine, conf. I
269194.7111 4.1922 -5.7437 3 685.1809555 89502 30392 687 92 588 a-Alanine, conf. I
269230.2263 1.0496 -5.7718 3 607.9456375 89502 3036258 4 6257 5 a-Alanine, conf. I
269230.2263 1.0496 -5.7718 3 607.9456375 89502 3036258 5 6257 6 a-Alanine, conf. I
269258.7961 0.0375 -5.3017 3 119.0105189 89502 3033122 9 3021 9 a-Alanine, conf. I
269258.7961 0.0375 -4.2113 3 119.0105189 89502 3033122 9 302110 a-Alanine, conf. I
269258.7961 0.0375 -4.2113 3 119.0105189 89502 303312210 3021 9 a-Alanine, conf. I
269258.7961 0.0375 -5.3017 3 119.0105189 89502 303312210 302110 a-Alanine, conf. I
269267.3485 0.8534 -4.8044 3 129.6512219 89502 303361422 351323 a-Alanine, conf. I
269272.4356 4.6961 -5.9675 3 602.5414531 89502 30388 286 88 187 a-Alanine, conf. I
269272.4356 4.6961 -5.9675 3 602.5414531 89502 30388 386 88 287 a-Alanine, conf. I
269279.4123 1.7728 -5.9093 3 1055.1655561 89502 303935934 935835 a-Alanine, conf. I
269279.4123 1.7728 -5.9093 3 1055.1655561 89502 303935935 935836 a-Alanine, conf. I
269287.4238 1.1088 -4.6945 3 177.8278255 89502 303421627 411526 a-Alanine, conf. I
269302.5318 1.0849 -5.8423 3 596.7231369 89502 3036158 3 6157 4 a-Alanine, conf. I
269302.5318 1.0849 -5.8423 3 596.7231369 89502 3036158 4 6157 5 a-Alanine, conf. I
269306.1658 3.5100 -5.7585 3 836.2655597 89502 303991089 99 990 a-Alanine, conf. I
269306.1658 3.5100 -5.7585 3 836.2655597 89502 303991189 991090 a-Alanine, conf. I
269368.2658 0.1356 -5.6548 3 110.1604219 89502 30336 531 35 431 a-Alanine, conf. I
269368.2660 0.1356 -5.6548 3 110.1604219 89502 30336 631 35 531 a-Alanine, conf. I
269370.9267 1.1209 -5.9412 3 585.6827363 89502 3036058 2 6057 3 a-Alanine, conf. I
269370.9267 1.1209 -5.9412 3 585.6827363 89502 3036058 3 6057 4 a-Alanine, conf. I
269435.5426 1.1574 -6.0915 3 574.8242357 89502 3035958 1 5957 2 a-Alanine, conf. I
269435.5426 1.1574 -6.0915 3 574.8242357 89502 3035958 2 5957 3 a-Alanine, conf. I
269483.4398 4.0532 -6.0830 3 1115.3855669 89502 303B11893 B11794 a-Alanine, conf. I
269483.4398 4.0532 -6.0830 3 1115.3855669 89502 303B11993 B11894 a-Alanine, conf. I
269489.2584 0.2905 -5.4253 3 130.0314225 89502 303371027 36 927 a-Alanine, conf. I
269491.5080 0.2964 -4.7014 3 263.6111351 89502 30358 256 57 255 a-Alanine, conf. I
269491.5080 0.2964 -4.0866 3 263.6111351 89502 30358 256 57 355 a-Alanine, conf. I
269491.5080 0.2964 -4.0866 3 263.6111351 89502 30358 356 57 255 a-Alanine, conf. I
269491.5080 0.2964 -4.7014 3 263.6111351 89502 30358 356 57 355 a-Alanine, conf. I
269522.3384 0.1965 -4.3501 3 246.6693309 89502 303511239 501338 a-Alanine, conf. I
269522.4752 0.1965 -4.7614 3 246.6693309 89502 303511339 501338 a-Alanine, conf. I
269522.6586 0.1965 -4.7614 3 246.6693309 89502 303511239 501238 a-Alanine, conf. I
269522.7954 0.1965 -4.3501 3 246.6693309 89502 303511339 501238 a-Alanine, conf. I
269535.5444 0.2412 -5.4150 3 77.4853177 89502 30329 921 28 622 a-Alanine, conf. I
269535.5945 1.6847 -5.8849 3 1038.2880555 89502 303925933 925834 a-Alanine, conf. I
269535.5945 1.6847 -5.8849 3 1038.2880555 89502 303925934 925835 a-Alanine, conf. I
269555.4726 0.3320 -4.9572 3 275.4239297 89502 303492821 482820 a-Alanine, conf. I
269555.4726 0.3320 -4.9572 3 275.4239297 89502 303492822 482821 a-Alanine, conf. I
269563.5604 0.2840 -5.4251 3 130.0321225 89502 303371127 361027 a-Alanine, conf. I
269655.0484 3.9326 -5.0086 3 285.6129321 89502 303531934 522033 a-Alanine, conf. I
269668.0427 3.3925 -5.8175 3 903.0778615 89502 303A21290 A21191 a-Alanine, conf. I
269668.0427 3.3925 -5.8175 3 903.0778615 89502 303A21390 A21291 a-Alanine, conf. I
269742.5378 0.2663 -4.7653 3 231.3251291 89502 303481732 471731 a-Alanine, conf. I
269768.4428 3.6293 -5.9824 3 1042.6542651 89502 303A81692 A81593 a-Alanine, conf. I
269768.4428 3.6293 -5.9824 3 1042.6542651 89502 303A81792 A81693 a-Alanine, conf. I
269782.7367 3.3316 -5.6408 3 565.5839441 89502 303733242 723339 a-Alanine, conf. I
269782.9973 1.6000 -5.8613 3 1021.5936549 89502 303915932 915833 a-Alanine, conf. I
269782.9973 1.6000 -5.8613 3 1021.5936549 89502 303915933 915834 a-Alanine, conf. I
269787.5338 3.3354 -5.6408 3 565.5839441 89502 303733241 723340 a-Alanine, conf. I
269825.8612 3.4171 -5.8932 3 971.8794633 89502 303A51491 A51392 a-Alanine, conf. I
269825.8612 3.4171 -5.8932 3 971.8794633 89502 303A51591 A51492 a-Alanine, conf. I
269885.2392 4.7389 -5.3625 3 423.2912387 89502 303642539 632638 a-Alanine, conf. I
269890.6532 0.0426 -5.3093 3 121.5236195 89502 303322111 312011 a-Alanine, conf. I
269890.6532 0.0426 -4.2431 3 121.5236195 89502 303322111 312012 a-Alanine, conf. I
269890.6532 0.0426 -4.2431 3 121.5236195 89502 303322112 312011 a-Alanine, conf. I
269890.6532 0.0426 -5.3093 3 121.5236195 89502 303322112 312012 a-Alanine, conf. I
269899.8625 0.2015 -4.7236 3 261.6719339 89502 30356 551 55 550 a-Alanine, conf. I
269899.8625 0.2015 -4.1474 3 261.6719339 89502 30356 551 55 650 a-Alanine, conf. I
269899.8625 0.2015 -4.1474 3 261.6719339 89502 30356 651 55 550 a-Alanine, conf. I
269899.8625 0.2015 -4.7236 3 261.6719339 89502 30356 651 55 650 a-Alanine, conf. I
270001.0786 0.3565 -4.9325 3 271.2678297 89502 303492723 482722 a-Alanine, conf. I
270001.0787 0.3565 -4.9325 3 271.2678297 89502 303492722 482721 a-Alanine, conf. I
270017.8779 3.9185 -5.7251 3 747.2841573 89502 30395 788 95 689 a-Alanine, conf. I
270017.8779 3.9185 -5.7251 3 747.2841573 89502 30395 888 95 789 a-Alanine, conf. I
270021.8345 1.5188 -5.8384 3 1005.0823543 89502 303905931 905832 a-Alanine, conf. I
270021.8345 1.5188 -5.8384 3 1005.0823543 89502 303905932 905833 a-Alanine, conf. I
270058.1804 3.7876 -5.4381 3 466.9352405 89502 303672740 662839 a-Alanine, conf. I
270060.6977 0.5680 -4.7983 3 238.5388291 89502 303482029 472028 a-Alanine, conf. I
270252.3157 1.4411 -5.8164 3 988.7541537 89502 303895930 895831 a-Alanine, conf. I
270252.3157 1.4411 -5.8164 3 988.7541537 89502 303895931 895832 a-Alanine, conf. I
270253.5938 2.8939 -5.4092 3 450.9506399 89502 303662641 652738 a-Alanine, conf. I
270268.2749 0.1942 -4.7424 3 257.8448327 89502 30354 846 53 845 a-Alanine, conf. I
270268.2749 0.1942 -4.2185 3 257.8448327 89502 30354 846 53 945 a-Alanine, conf. I
270268.2749 0.1942 -4.2185 3 257.8448327 89502 30354 946 53 845 a-Alanine, conf. I
270268.2749 0.1942 -4.7424 3 257.8448327 89502 30354 946 53 945 a-Alanine, conf. I
270343.7911 4.4135 -5.7880 3 661.9102549 89502 30391 487 91 388 a-Alanine, conf. I
270343.7911 4.4135 -5.7880 3 661.9102549 89502 30391 587 91 488 a-Alanine, conf. I
270360.9614 0.1509 -5.7357 3 107.0362219 89502 30336 432 35 332 a-Alanine, conf. I
270360.9614 0.1509 -5.7357 3 107.0362219 89502 30336 532 35 432 a-Alanine, conf. I
270445.6562 0.0482 -4.2789 3 124.4153201 89502 303332014 321913 a-Alanine, conf. I
270445.6566 0.0482 -5.3163 3 124.4153201 89502 303332013 321913 a-Alanine, conf. I
270445.6587 0.0482 -5.3163 3 124.4153201 89502 303332014 321914 a-Alanine, conf. I
270445.6591 0.0482 -4.2789 3 124.4153201 89502 303332013 321914 a-Alanine, conf. I
270474.6459 1.3672 -5.7951 3 972.6088531 89502 303885929 885830 a-Alanine, conf. I
270474.6459 1.3672 -5.7951 3 972.6088531 89502 303885930 885831 a-Alanine, conf. I
270478.4690 0.2572 -4.5273 3 237.8381297 89502 303491534 481633 a-Alanine, conf. I
270511.8815 0.3836 -4.9091 3 267.2904297 89502 303492624 482623 a-Alanine, conf. I
270511.8830 0.3836 -4.9091 3 267.2904297 89502 303492623 482622 a-Alanine, conf. I
270538.8746 0.0905 -5.3376 3 140.1643225 89502 303371622 361522 a-Alanine, conf. I
270610.6063 0.1783 -4.7461 3 221.9386285 89502 303471631 461630 a-Alanine, conf. I
270644.6471 0.8004 -4.6353 3 240.3228297 89502 303491633 481732 a-Alanine, conf. I
270646.0280 0.6775 -4.7964 3 238.5575291 89502 303482028 472027 a-Alanine, conf. I
270661.1109 3.6768 -5.7481 3 811.4131591 89502 30398 989 98 890 a-Alanine, conf. I
270661.1109 3.6768 -5.7481 3 811.4131591 89502 303981089 98 990 a-Alanine, conf. I
270686.6100 3.3532 -5.5975 3 547.6541435 89502 303723142 713239 a-Alanine, conf. I
270689.0262 1.2971 -5.7747 3 956.6465525 89502 303875928 875829 a-Alanine, conf. I
270689.0262 1.2971 -5.7747 3 956.6465525 89502 303875929 875830 a-Alanine, conf. I
270705.3201 3.3669 -5.5975 3 547.6541435 89502 303723141 713240 a-Alanine, conf. I
270756.5421 0.2001 -4.3084 3 252.0488315 89502 303521141 511240 a-Alanine, conf. I
270756.5459 0.2001 -4.7566 3 252.0488315 89502 303521241 511240 a-Alanine, conf. I
270756.5514 0.2001 -4.7566 3 252.0488315 89502 303521141 511140 a-Alanine, conf. I
270756.5553 0.2001 -4.3084 3 252.0488315 89502 303521241 511140 a-Alanine, conf. I
270760.1167 0.0628 -4.4355 3 135.5465219 89502 303361720 351619 a-Alanine, conf. I
270797.5141 0.5319 -5.3754 3 141.2242231 89502 303381226 371126 a-Alanine, conf. I
270801.4491 0.0638 -5.3339 3 135.5465219 89502 303361719 351619 a-Alanine, conf. I
270826.5842 0.3625 -4.6923 3 266.8219357 89502 30359 158 58 157 a-Alanine, conf. I
270826.5842 0.3625 -4.0666 3 266.8219357 89502 30359 158 58 257 a-Alanine, conf. I
270826.5842 0.3625 -4.0666 3 266.8219357 89502 30359 258 58 157 a-Alanine, conf. I
270826.5842 0.3625 -4.6923 3 266.8219357 89502 30359 258 58 257 a-Alanine, conf. I
270842.8886 0.2855 -4.5651 3 147.2818231 89502 303381623 371522 a-Alanine, conf. I
270872.2962 2.2345 -5.3880 3 435.3428393 89502 303652541 642638 a-Alanine, conf. I
270872.7776 0.0543 -4.3204 3 127.6995207 89502 303341916 331815 a-Alanine, conf. I
270872.8065 0.0543 -5.3227 3 127.6995207 89502 303341915 331815 a-Alanine, conf. I
270872.9308 0.0543 -5.3227 3 127.6995207 89502 303341916 331816 a-Alanine, conf. I
270872.9597 0.0543 -4.3204 3 127.6995207 89502 303341915 331816 a-Alanine, conf. I
270895.6535 1.2311 -5.7552 3 940.8670519 89502 303865927 865828 a-Alanine, conf. I
270895.6535 1.2311 -5.7552 3 940.8670519 89502 303865928 865829 a-Alanine, conf. I
270922.6587 0.0673 -5.3336 3 135.5411219 89502 303361720 351620 a-Alanine, conf. I
270923.5899 11.8861 -5.9362 3 526.3459435 89502 303722548 712645 a-Alanine, conf. I
270956.6035 0.5237 -4.6582 3 138.2437225 89502 303371522 361423 a-Alanine, conf. I
270963.9911 0.0692 -4.4350 3 135.5411219 89502 303361719 351620 a-Alanine, conf. I
271074.5407 0.0605 -4.3705 3 131.3976213 89502 303351818 341717 a-Alanine, conf. I
271075.8868 0.0605 -5.3284 3 131.3976213 89502 303351817 341717 a-Alanine, conf. I
271080.7621 0.0607 -5.3284 3 131.3974213 89502 303351818 341718 a-Alanine, conf. I
271082.1082 0.0607 -4.3705 3 131.3974213 89502 303351817 341718 a-Alanine, conf. I
271094.7210 1.1694 -5.7366 3 925.2705513 89502 303855926 855827 a-Alanine, conf. I
271094.7210 1.1694 -5.7366 3 925.2705513 89502 303855927 855828 a-Alanine, conf. I
271103.6827 0.4138 -4.8866 3 263.4961297 89502 303492525 482524 a-Alanine, conf. I
271103.7027 0.4138 -4.8866 3 263.4961297 89502 303492524 482523 a-Alanine, conf. I
271104.6317 0.0577 -5.2459 3 116.5703165 89502 3032727 0 2626 0 a-Alanine, conf. I
271104.6317 0.0577 -4.0814 3 116.5703165 89502 3032727 0 2626 1 a-Alanine, conf. I
271104.6317 0.0577 -4.0814 3 116.5703165 89502 3032727 1 2626 0 a-Alanine, conf. I
271104.6317 0.0577 -5.2459 3 116.5703165 89502 3032727 1 2626 1 a-Alanine, conf. I
271105.4800 0.1974 -4.7633 3 237.8381297 89502 303491634 481633 a-Alanine, conf. I
271115.5017 3.5031 -5.7975 3 877.5536609 89502 303A11190 A11091 a-Alanine, conf. I
271115.5017 3.5031 -5.7975 3 877.5536609 89502 303A11290 A11191 a-Alanine, conf. I
271140.8552 0.3409 -5.3536 3 143.2886231 89502 303381425 371325 a-Alanine, conf. I
271223.0292 0.5457 -4.7806 3 235.9817291 89502 303481930 471929 a-Alanine, conf. I
271244.0023 3.8637 -6.0453 3 1087.8913663 89502 303B01793 B01694 a-Alanine, conf. I
271244.0023 3.8637 -6.0453 3 1087.8913663 89502 303B01893 B01794 a-Alanine, conf. I
271247.5089 4.1303 -5.7380 3 723.3248567 89502 30394 688 94 589 a-Alanine, conf. I
271247.5089 4.1303 -5.7380 3 723.3248567 89502 30394 788 94 689 a-Alanine, conf. I
271253.7178 0.1784 -5.8448 3 103.7788219 89502 30336 333 35 233 a-Alanine, conf. I
271253.7178 0.1784 -5.8448 3 103.7788219 89502 30336 433 35 333 a-Alanine, conf. I
271269.4516 0.2241 -4.7154 3 265.5088345 89502 30357 453 56 452 a-Alanine, conf. I
271269.4516 0.2241 -4.1248 3 265.5088345 89502 30357 453 56 552 a-Alanine, conf. I
271269.4516 0.2241 -4.1248 3 265.5088345 89502 30357 553 56 452 a-Alanine, conf. I
271269.4516 0.2241 -4.7154 3 265.5088345 89502 30357 553 56 552 a-Alanine, conf. I
271286.4181 1.1122 -5.7189 3 909.8567507 89502 303845925 845826 a-Alanine, conf. I
271286.4181 1.1122 -5.7189 3 909.8567507 89502 303845926 845827 a-Alanine, conf. I
271345.6204 0.1554 -4.5285 3 140.1643225 89502 303371621 361522 a-Alanine, conf. I
271364.0391 0.4203 -4.7685 3 233.6182291 89502 303481831 471830 a-Alanine, conf. I
271371.3594 3.4449 -5.8660 3 945.6907627 89502 303A41391 A41292 a-Alanine, conf. I
271371.3594 3.4449 -5.8660 3 945.6907627 89502 303A41491 A41392 a-Alanine, conf. I
271384.9687 0.9482 -4.6748 3 169.8454249 89502 303411626 401525 a-Alanine, conf. I
271418.0820 3.5527 -5.9495 3 1015.8087645 89502 303A71592 A71493 a-Alanine, conf. I
271418.0820 3.5527 -5.9495 3 1015.8087645 89502 303A71692 A71593 a-Alanine, conf. I
271458.5379 4.6384 -5.8609 3 638.8582543 89502 30390 387 90 288 a-Alanine, conf. I
271458.5379 4.6384 -5.8609 3 638.8582543 89502 30390 487 90 388 a-Alanine, conf. I
271470.9306 1.0598 -5.7023 3 894.6258501 89502 303835924 835825 a-Alanine, conf. I
271470.9306 1.0598 -5.7023 3 894.6258501 89502 303835925 835826 a-Alanine, conf. I
271476.4540 0.9868 -4.7574 3 225.0516285 89502 303471829 461828 a-Alanine, conf. I
271483.8777 0.3446 -5.3128 3 160.7897243 89502 303401525 391425 a-Alanine, conf. I
271502.8460 0.1415 -5.6531 3 68.4290171 89502 30328 622 27 523 a-Alanine, conf. I
271508.2993 1.7867 -4.7571 3 251.8996303 89502 303501733 491832 a-Alanine, conf. I
271510.7759 0.1412 -5.6531 3 68.4290171 89502 30328 722 27 423 a-Alanine, conf. I
271545.3308 0.2351 -5.4531 3 127.5482225 89502 30337 928 36 828 a-Alanine, conf. I
271552.5078 0.2345 -5.4530 3 127.5483225 89502 303371028 36 928 a-Alanine, conf. I
271579.5211 0.4041 -5.9532 3 394.8684303 89502 3035047 3 4947 2 a-Alanine, conf. I
271579.5211 0.4041 -5.9532 3 394.8684303 89502 3035047 4 4947 3 a-Alanine, conf. I
271627.3559 0.1108 -6.0241 3 59.3685165 89502 30327 423 26 324 a-Alanine, conf. I
271627.4110 0.1108 -6.0241 3 59.3685165 89502 30327 523 26 224 a-Alanine, conf. I
271642.3302 0.1955 -4.7352 3 262.3207333 89502 30355 748 54 747 a-Alanine, conf. I
271642.3302 0.1955 -4.1912 3 262.3207333 89502 30355 748 54 847 a-Alanine, conf. I
271642.3302 0.1955 -4.1912 3 262.3207333 89502 30355 848 54 747 a-Alanine, conf. I
271642.3302 0.1955 -4.7352 3 262.3207333 89502 30355 848 54 847 a-Alanine, conf. I
271648.4409 1.0124 -5.6866 3 879.5776495 89502 303825923 825824 a-Alanine, conf. I
271648.4409 1.0124 -5.6866 3 879.5776495 89502 303825924 825825 a-Alanine, conf. I
271658.3158 0.3765 -5.8174 3 387.6012303 89502 3035046 4 4946 3 a-Alanine, conf. I
271658.3158 0.3765 -5.8174 3 387.6012303 89502 3035046 5 4946 4 a-Alanine, conf. I
271684.2060 0.1930 -4.7612 3 237.7979297 89502 303491534 481533 a-Alanine, conf. I
271687.5249 0.3734 -5.3254 3 84.5924183 89502 30330 921 29 822 a-Alanine, conf. I
271743.4889 0.3505 -5.7099 3 380.4928303 89502 3035045 5 4945 4 a-Alanine, conf. I
271743.4889 0.3505 -5.7099 3 380.4928303 89502 3035045 6 4945 5 a-Alanine, conf. I
271798.6699 0.4480 -4.8650 3 259.8903297 89502 303492426 482425 a-Alanine, conf. I
271798.9188 0.4481 -4.8650 3 259.8903297 89502 303492425 482424 a-Alanine, conf. I
271815.0743 3.3882 -5.5549 3 530.0744429 89502 303713042 703139 a-Alanine, conf. I
271819.1282 0.9705 -5.6721 3 864.7121489 89502 303815922 815823 a-Alanine, conf. I
271819.1282 0.9705 -5.6721 3 864.7121489 89502 303815923 815824 a-Alanine, conf. I
271835.6224 0.3264 -5.6206 3 373.5437303 89502 3035044 6 4944 5 a-Alanine, conf. I
271835.6224 0.3264 -5.6206 3 373.5437303 89502 3035044 7 4944 6 a-Alanine, conf. I
271841.2397 0.0439 -5.2556 3 117.4825171 89502 3032826 2 2725 2 a-Alanine, conf. I
271841.2397 0.0439 -4.1037 3 117.4825171 89502 3032826 2 2725 3 a-Alanine, conf. I
271841.2397 0.0439 -4.1037 3 117.4825171 89502 3032826 3 2725 2 a-Alanine, conf. I
271841.2397 0.0439 -5.2556 3 117.4825171 89502 3032826 3 2725 3 a-Alanine, conf. I
271845.3917 0.1984 -4.4435 3 244.0675303 89502 303501436 491535 a-Alanine, conf. I
271883.6571 0.1975 -4.7627 3 244.0675303 89502 303501536 491535 a-Alanine, conf. I
271884.6965 3.4347 -5.5547 3 530.0743429 89502 303713041 703140 a-Alanine, conf. I
271925.7845 0.1971 -4.7626 3 244.0648303 89502 303501436 491435 a-Alanine, conf. I
271929.1187 0.5554 -5.2525 3 91.8962189 89502 303311021 30 922 a-Alanine, conf. I
271935.3711 0.3044 -5.5438 3 366.7541303 89502 3035043 7 4943 6 a-Alanine, conf. I
271935.3711 0.3044 -5.5438 3 366.7541303 89502 3035043 8 4943 7 a-Alanine, conf. I
271964.0500 0.1969 -4.4431 3 244.0648303 89502 303501536 491435 a-Alanine, conf. I
271975.6891 3.8654 -5.7435 3 786.7718585 89502 30397 889 97 790 a-Alanine, conf. I
271975.6891 3.8654 -5.7435 3 786.7718585 89502 30397 989 97 890 a-Alanine, conf. I
271983.1681 0.9341 -5.6588 3 850.0292483 89502 303805921 805822 a-Alanine, conf. I
271983.1681 0.9341 -5.6588 3 850.0292483 89502 303805922 805823 a-Alanine, conf. I
271994.1542 0.2218 -5.3391 3 145.1997231 89502 303381524 371424 a-Alanine, conf. I
272043.4743 0.2850 -5.4764 3 360.1243303 89502 3035042 8 4942 7 a-Alanine, conf. I
272043.4743 0.2850 -5.4764 3 360.1243303 89502 3035042 9 4942 8 a-Alanine, conf. I
272059.5766 0.2024 -4.2724 3 257.2000321 89502 303531043 521142 a-Alanine, conf. I
272059.5767 0.2024 -4.7510 3 257.2000321 89502 303531143 521142 a-Alanine, conf. I
272059.5768 0.2024 -4.7510 3 257.2000321 89502 303531043 521042 a-Alanine, conf. I
272059.5769 0.2024 -4.2724 3 257.2000321 89502 303531143 521042 a-Alanine, conf. I
272063.3250 0.2135 -6.0052 3 100.3913219 89502 30336 234 35 134 a-Alanine, conf. I
272063.3250 0.2135 -6.0052 3 100.3913219 89502 30336 334 35 234 a-Alanine, conf. I
272140.7335 0.9037 -5.6467 3 835.5290477 89502 303795920 795821 a-Alanine, conf. I
272140.7335 0.9037 -5.6467 3 835.5290477 89502 303795921 795822 a-Alanine, conf. I
272144.6501 0.4441 -4.6831 3 269.8395363 89502 30360 060 59 059 a-Alanine, conf. I
272144.6501 0.4441 -4.0475 3 269.8395363 89502 30360 060 59 159 a-Alanine, conf. I
272144.6501 0.4441 -4.0475 3 269.8395363 89502 30360 160 59 059 a-Alanine, conf. I
272144.6501 0.4441 -4.6831 3 269.8395363 89502 30360 160 59 159 a-Alanine, conf. I
272160.7697 0.2684 -5.4161 3 353.6547303 89502 3035041 9 4941 8 a-Alanine, conf. I
272160.7697 0.2684 -5.4161 3 353.6547303 89502 303504110 4941 9 a-Alanine, conf. I
272222.9613 4.7703 -5.0845 3 308.3830333 89502 303552035 542134 a-Alanine, conf. I
272288.2106 0.2550 -5.3616 3 347.3457303 89502 303504010 4940 9 a-Alanine, conf. I
272288.2106 0.2550 -5.3616 3 347.3457303 89502 303504011 494010 a-Alanine, conf. I
272291.9939 0.8794 -5.6360 3 821.2113471 89502 303785919 785820 a-Alanine, conf. I
272291.9939 0.8794 -5.6360 3 821.2113471 89502 303785920 785821 a-Alanine, conf. I
272311.2170 0.2424 -4.5206 3 237.7979297 89502 303491634 481533 a-Alanine, conf. I
272426.8862 0.2452 -5.3118 3 341.1977303 89502 303503911 493910 a-Alanine, conf. I
272426.8862 0.2452 -5.3118 3 341.1977303 89502 303503912 493911 a-Alanine, conf. I
272437.1160 0.8613 -5.6267 3 807.0762465 89502 303775918 775819 a-Alanine, conf. I
272437.1160 0.8613 -5.6267 3 807.0762465 89502 303775919 775820 a-Alanine, conf. I
272440.5912 0.4836 -4.6015 3 154.5580237 89502 303391624 381523 a-Alanine, conf. I
272440.6025 4.3507 -5.7635 3 699.5812561 89502 30393 588 93 489 a-Alanine, conf. I
272440.6025 4.3507 -5.7635 3 699.5812561 89502 30393 688 93 589 a-Alanine, conf. I
272513.3062 0.1343 -5.3324 3 147.2818231 89502 303381622 371522 a-Alanine, conf. I
272519.8100 3.6484 -5.7816 3 852.2371603 89502 303A01090 A0 991 a-Alanine, conf. I
272519.8100 3.6484 -5.7816 3 852.2371603 89502 303A01190 A01091 a-Alanine, conf. I
272540.0735 4.8652 -5.9854 3 616.0262537 89502 30389 287 89 188 a-Alanine, conf. I
272540.0735 4.8652 -5.9854 3 616.0262537 89502 30389 387 89 288 a-Alanine, conf. I
272571.1360 0.0361 -5.2649 3 118.7450177 89502 3032925 4 2824 4 a-Alanine, conf. I
272571.1360 0.0361 -4.1273 3 118.7450177 89502 3032925 4 2824 5 a-Alanine, conf. I
272571.1360 0.0361 -4.1273 3 118.7450177 89502 3032925 5 2824 4 a-Alanine, conf. I
272571.1360 0.0361 -5.2649 3 118.7450177 89502 3032925 5 2824 5 a-Alanine, conf. I
272576.2637 0.8495 -5.6189 3 793.1236459 89502 303765917 765818 a-Alanine, conf. I
272576.2637 0.8495 -5.6189 3 793.1236459 89502 303765918 765819 a-Alanine, conf. I
272578.0474 0.2392 -5.2660 3 335.2112303 89502 303503812 493811 a-Alanine, conf. I
272578.0474 0.2392 -5.2660 3 335.2112303 89502 303503813 493812 a-Alanine, conf. I
272583.8489 0.7217 -4.6409 3 162.0818243 89502 303401625 391524 a-Alanine, conf. I
272628.5204 0.2611 -4.7070 3 269.1515351 89502 30358 355 57 354 a-Alanine, conf. I
272628.5204 0.2611 -4.1034 3 269.1515351 89502 30358 355 57 454 a-Alanine, conf. I
272628.5204 0.2611 -4.1034 3 269.1515351 89502 30358 455 57 354 a-Alanine, conf. I
272628.5204 0.2611 -4.7070 3 269.1515351 89502 30358 455 57 454 a-Alanine, conf. I
272629.0041 0.4880 -4.8442 3 256.4807297 89502 303492327 482326 a-Alanine, conf. I
272631.6784 0.4887 -4.8441 3 256.4807297 89502 303492326 482325 a-Alanine, conf. I
272644.1585 1.0316 -5.4385 3 432.2936393 89502 303652442 642539 a-Alanine, conf. I
272650.4603 4.9391 -5.6069 3 457.3665405 89502 303672444 662541 a-Alanine, conf. I
272685.6519 2.3053 -6.0821 3 1169.2027597 89502 303996039 995940 a-Alanine, conf. I
272685.6519 2.3053 -6.0821 3 1169.2027597 89502 303996040 995941 a-Alanine, conf. I
272709.5982 0.8437 -5.6129 3 779.3534453 89502 303755916 755817 a-Alanine, conf. I
272709.5982 0.8437 -5.6129 3 779.3534453 89502 303755917 755818 a-Alanine, conf. I
272713.5801 0.3818 -5.3702 3 141.2506231 89502 303381326 371226 a-Alanine, conf. I
272715.3539 1.0527 -4.9699 3 121.3031213 89502 303351322 341223 a-Alanine, conf. I
272743.1383 0.2372 -5.2236 3 329.3869303 89502 303503713 493712 a-Alanine, conf. I
272743.1383 0.2372 -5.2236 3 329.3869303 89502 303503714 493713 a-Alanine, conf. I
272837.2777 0.8439 -5.6086 3 765.7656447 89502 303745915 745816 a-Alanine, conf. I
272837.2777 0.8439 -5.6086 3 765.7656447 89502 303745916 745817 a-Alanine, conf. I
272845.3860 0.2023 -4.3848 3 249.9970309 89502 303511338 501437 a-Alanine, conf. I
272847.0879 0.2023 -4.7605 3 249.9970309 89502 303511438 501437 a-Alanine, conf. I
272849.2011 0.2023 -4.7605 3 249.9969309 89502 303511338 501337 a-Alanine, conf. I
272850.9030 0.2023 -4.3847 3 249.9969309 89502 303511438 501337 a-Alanine, conf. I
272870.6304 3.5212 -5.8420 3 919.7061621 89502 303A31291 A31192 a-Alanine, conf. I
272870.6304 3.5212 -5.8420 3 919.7061621 89502 303A31391 A31292 a-Alanine, conf. I
272923.8355 0.2393 -5.1840 3 323.7253303 89502 303503614 493613 a-Alanine, conf. I
272923.8355 0.2393 -5.1840 3 323.7253303 89502 303503615 493614 a-Alanine, conf. I
272951.0894 3.7344 -6.0097 3 1060.5936657 89502 303A91693 A91594 a-Alanine, conf. I
272951.0894 3.7344 -6.0097 3 1060.5936657 89502 303A91793 A91694 a-Alanine, conf. I
272959.4580 0.8496 -5.6064 3 752.3603441 89502 303735914 735815 a-Alanine, conf. I
272959.4580 0.8496 -5.6064 3 752.3603441 89502 303735915 735816 a-Alanine, conf. I
272980.1835 2.1994 -6.0539 3 1151.2361591 89502 303986038 985939 a-Alanine, conf. I
272980.1835 2.1994 -6.0539 3 1151.2361591 89502 303986039 985940 a-Alanine, conf. I
273018.0736 3.5343 -5.9191 3 989.1636639 89502 303A61492 A61393 a-Alanine, conf. I
273018.0736 3.5343 -5.9191 3 989.1636639 89502 303A61592 A61493 a-Alanine, conf. I
273019.2919 0.2004 -4.7278 3 266.5965339 89502 30356 650 55 649 a-Alanine, conf. I
273019.2919 0.2004 -4.1660 3 266.5965339 89502 30356 650 55 749 a-Alanine, conf. I
273019.2919 0.2004 -4.1660 3 266.5965339 89502 30356 750 55 649 a-Alanine, conf. I
273019.2919 0.2004 -4.7278 3 266.5965339 89502 30356 750 55 749 a-Alanine, conf. I
273076.2923 0.8604 -5.6065 3 739.1372435 89502 303725913 725814 a-Alanine, conf. I
273076.2923 0.8604 -5.6065 3 739.1372435 89502 303725914 725815 a-Alanine, conf. I
273122.0983 0.2451 -5.1471 3 318.2273303 89502 303503515 493514 a-Alanine, conf. I
273122.0983 0.2451 -5.1471 3 318.2273303 89502 303503516 493515 a-Alanine, conf. I
273187.9313 0.8759 -5.6091 3 726.0964429 89502 303715912 715813 a-Alanine, conf. I
273187.9313 0.8759 -5.6091 3 726.0964429 89502 303715913 715814 a-Alanine, conf. I
273200.4389 3.4253 -5.5131 3 512.8477423 89502 303702942 693039 a-Alanine, conf. I
273220.8042 0.1933 -5.4871 3 124.8993225 89502 30337 829 36 729 a-Alanine, conf. I
273221.3529 0.1932 -5.4871 3 124.8993225 89502 30337 929 36 829 a-Alanine, conf. I
273251.3278 4.0705 -5.7464 3 762.3429579 89502 30396 789 96 690 a-Alanine, conf. I
273251.3278 4.0705 -5.7464 3 762.3429579 89502 30396 889 96 790 a-Alanine, conf. I
273265.2023 2.0968 -6.0264 3 1133.4525585 89502 303976037 975938 a-Alanine, conf. I
273265.2023 2.0968 -6.0264 3 1133.4525585 89502 303976038 975939 a-Alanine, conf. I
273288.6467 0.0344 -5.2738 3 120.3612183 89502 3033024 6 2923 6 a-Alanine, conf. I
273288.6467 0.0344 -4.1524 3 120.3612183 89502 3033024 6 2923 7 a-Alanine, conf. I
273288.6467 0.0344 -4.1524 3 120.3612183 89502 3033024 7 2923 6 a-Alanine, conf. I
273288.6467 0.0344 -5.2738 3 120.3612183 89502 3033024 7 2923 7 a-Alanine, conf. I
273294.5231 0.8955 -5.6147 3 713.2379423 89502 303705911 705812 a-Alanine, conf. I
273294.5231 0.8955 -5.6147 3 713.2379423 89502 303705912 705813 a-Alanine, conf. I
273340.2330 0.2544 -5.1124 3 312.8936303 89502 303503416 493415 a-Alanine, conf. I
273340.2330 0.2544 -5.1124 3 312.8936303 89502 303503417 493416 a-Alanine, conf. I
273396.2137 0.9187 -5.6235 3 700.5616417 89502 303695910 695811 a-Alanine, conf. I
273396.2137 0.9187 -5.6235 3 700.5616417 89502 303695911 695812 a-Alanine, conf. I
273401.9764 0.2035 -4.7450 3 262.1345327 89502 30354 945 53 944 a-Alanine, conf. I
273401.9764 0.2035 -4.2404 3 262.1345327 89502 30354 945 531044 a-Alanine, conf. I
273401.9764 0.2035 -4.2404 3 262.1345327 89502 303541045 53 944 a-Alanine, conf. I
273401.9764 0.2035 -4.7450 3 262.1345327 89502 303541045 531044 a-Alanine, conf. I
273408.4162 0.7414 -5.3526 3 150.2570237 89502 303391326 381226 a-Alanine, conf. I
273439.2244 0.3007 -5.3224 3 84.5909183 89502 303301021 29 722 a-Alanine, conf. I
273446.2702 3.5751 -5.5122 3 512.8472423 89502 303702941 693040 a-Alanine, conf. I
273483.5082 3.7723 -6.0516 3 757.4801501 89502 303834142 824241 a-Alanine, conf. I
273483.5082 3.7723 -6.0516 3 757.4801501 89502 303834143 824240 a-Alanine, conf. I
273493.1464 0.9451 -5.6364 3 688.0675411 89502 3036859 9 685810 a-Alanine, conf. I
273493.1464 0.9451 -5.6364 3 688.0675411 89502 303685910 685811 a-Alanine, conf. I
273535.9953 3.7273 -6.0029 3 736.2945495 89502 303824043 814140 a-Alanine, conf. I
273535.9954 3.7273 -6.0029 3 736.2945495 89502 303824042 814141 a-Alanine, conf. I
273540.9319 1.9976 -5.9995 3 1115.8519579 89502 303966036 965937 a-Alanine, conf. I
273540.9319 1.9976 -5.9995 3 1115.8519579 89502 303966037 965938 a-Alanine, conf. I
273580.9765 0.2670 -5.0797 3 307.7254303 89502 303503317 493316 a-Alanine, conf. I
273580.9765 0.2670 -5.0797 3 307.7254303 89502 303503318 493317 a-Alanine, conf. I
273585.4626 0.9740 -5.6539 3 675.7555405 89502 3036759 8 6758 9 a-Alanine, conf. I
273585.4626 0.9740 -5.6539 3 675.7555405 89502 3036759 9 675810 a-Alanine, conf. I
273598.3851 4.5769 -5.8073 3 676.0546555 89502 30392 488 92 389 a-Alanine, conf. I
273598.3851 4.5769 -5.8073 3 676.0546555 89502 30392 588 92 489 a-Alanine, conf. I
273639.4738 0.5352 -4.8239 3 253.2775297 89502 303492228 482227 a-Alanine, conf. I
273642.8558 3.6862 -5.9548 3 715.4486489 89502 303813943 804040 a-Alanine, conf. I
273642.8561 3.6862 -5.9548 3 715.4486489 89502 303813942 804041 a-Alanine, conf. I
273663.9118 0.5411 -4.8238 3 253.2781297 89502 303492227 482226 a-Alanine, conf. I
273673.3012 1.0052 -5.6771 3 663.6256399 89502 3036659 7 6658 8 a-Alanine, conf. I
273673.3012 1.0052 -5.6771 3 663.6256399 89502 3036659 8 6658 9 a-Alanine, conf. I
273756.7988 1.0383 -5.7074 3 651.6777393 89502 3036559 6 6558 7 a-Alanine, conf. I
273756.7988 1.0383 -5.7074 3 651.6777393 89502 3036559 7 6558 8 a-Alanine, conf. I
273807.5913 1.9017 -5.9734 3 1098.4342573 89502 303956035 955936 a-Alanine, conf. I
273807.5913 1.9017 -5.9734 3 1098.4342573 89502 303956036 955937 a-Alanine, conf. I
273812.2734 3.6496 -5.9072 3 694.9431483 89502 303803843 793940 a-Alanine, conf. I
273812.2749 3.6496 -5.9072 3 694.9431483 89502 303803842 793941 a-Alanine, conf. I
273836.0901 1.0728 -5.7471 3 639.9119387 89502 3036459 5 6458 6 a-Alanine, conf. I
273836.0901 1.0728 -5.7471 3 639.9119387 89502 3036459 6 6458 7 a-Alanine, conf. I
273847.6072 0.2823 -5.0489 3 302.7237303 89502 303503218 493217 a-Alanine, conf. I
273847.6072 0.2823 -5.0489 3 302.7237303 89502 303503219 493218 a-Alanine, conf. I
273882.5476 3.8214 -5.7707 3 827.1298597 89502 30399 990 99 891 a-Alanine, conf. I
273882.5476 3.8214 -5.7707 3 827.1298597 89502 303991090 99 991 a-Alanine, conf. I
273911.3075 1.1085 -5.7992 3 628.3281381 89502 3036359 4 6358 5 a-Alanine, conf. I
273911.3075 1.1085 -5.7992 3 628.3281381 89502 3036359 5 6358 6 a-Alanine, conf. I
273942.2262 0.2336 -4.7475 3 230.9652291 89502 303481632 471631 a-Alanine, conf. I
273974.2933 0.3140 -4.6984 3 272.6004357 89502 30359 257 58 256 a-Alanine, conf. I
273974.2933 0.3140 -4.0830 3 272.6004357 89502 30359 257 58 356 a-Alanine, conf. I
273974.2933 0.3140 -4.0830 3 272.6004357 89502 30359 357 58 256 a-Alanine, conf. I
273974.2933 0.3140 -4.6984 3 272.6004357 89502 30359 357 58 356 a-Alanine, conf. I
273982.5813 1.1451 -5.8694 3 616.9261375 89502 3036259 3 6258 4 a-Alanine, conf. I
273982.5813 1.1451 -5.8694 3 616.9261375 89502 3036259 4 6258 5 a-Alanine, conf. I
273985.0360 0.0371 -5.2822 3 122.3357189 89502 3033123 8 3022 8 a-Alanine, conf. I
273985.0360 0.0371 -4.1795 3 122.3357189 89502 3033123 8 3022 9 a-Alanine, conf. I
273985.0360 0.0371 -4.1795 3 122.3357189 89502 3033123 9 3022 8 a-Alanine, conf. I
273985.0360 0.0371 -5.2822 3 122.3357189 89502 3033123 9 3022 9 a-Alanine, conf. I
273990.7919 0.2068 -4.3379 3 255.6596315 89502 303521240 511339 a-Alanine, conf. I
273990.8498 0.2068 -4.7569 3 255.6596315 89502 303521340 511339 a-Alanine, conf. I
273990.9287 0.2068 -4.7569 3 255.6596315 89502 303521240 511239 a-Alanine, conf. I
273990.9866 0.2068 -4.3379 3 255.6596315 89502 303521340 511239 a-Alanine, conf. I
273995.9045 5.4793 -5.1530 3 332.0221345 89502 303572136 562235 a-Alanine, conf. I
274035.4876 0.9520 -4.7709 3 236.0963291 89502 303481929 471928 a-Alanine, conf. I
274050.0398 1.1824 -5.9680 3 605.7061369 89502 3036159 2 6158 3 a-Alanine, conf. I
274050.0398 1.1824 -5.9680 3 605.7061369 89502 3036159 3 6158 4 a-Alanine, conf. I
274054.1660 3.6183 -5.8602 3 674.7788477 89502 303793743 783840 a-Alanine, conf. I
274054.1733 3.6183 -5.8602 3 674.7788477 89502 303793742 783841 a-Alanine, conf. I
274065.3946 1.8093 -5.9479 3 1081.1995567 89502 303946034 945935 a-Alanine, conf. I
274065.3946 1.8093 -5.9479 3 1081.1995567 89502 303946035 945936 a-Alanine, conf. I
274086.7456 2.6471 -5.5069 3 444.6984399 89502 303662443 652540 a-Alanine, conf. I
274137.5815 0.2104 -5.2428 3 93.6549189 89502 303311220 30 921 a-Alanine, conf. I
274144.0936 0.3001 -5.0197 3 297.8900303 89502 303503119 493118 a-Alanine, conf. I
274144.0936 0.3001 -5.0197 3 297.8900303 89502 303503120 493119 a-Alanine, conf. I
274234.7990 4.5975 -5.3940 3 450.9399399 89502 303662640 652739 a-Alanine, conf. I
274314.5513 1.7203 -5.9232 3 1064.1477561 89502 303936033 935934 a-Alanine, conf. I
274314.5513 1.7203 -5.9232 3 1064.1477561 89502 303936034 935935 a-Alanine, conf. I
274325.4326 3.6389 -5.8215 3 893.9273615 89502 303A21191 A21092 a-Alanine, conf. I
274325.4326 3.6389 -5.8215 3 893.9273615 89502 303A21291 A21192 a-Alanine, conf. I
274378.2559 0.5686 -4.7332 3 223.4188285 89502 303471730 461729 a-Alanine, conf. I
274380.7009 3.5936 -5.8138 3 654.9565471 89502 303783643 773740 a-Alanine, conf. I
274380.7347 3.5936 -5.8138 3 654.9565471 89502 303783642 773741 a-Alanine, conf. I
274393.0557 0.2131 -4.7201 3 270.6748345 89502 30357 552 56 551 a-Alanine, conf. I
274393.0557 0.2131 -4.1426 3 270.6748345 89502 30357 552 56 651 a-Alanine, conf. I
274393.0557 0.2131 -4.1426 3 270.6748345 89502 30357 652 56 551 a-Alanine, conf. I
274393.0557 0.2131 -4.7201 3 270.6748345 89502 30357 652 56 651 a-Alanine, conf. I
274423.5010 3.9651 -6.0735 3 1106.2317669 89502 303B11794 B11695 a-Alanine, conf. I
274423.5010 3.9651 -6.0735 3 1106.2317669 89502 303B11894 B11795 a-Alanine, conf. I
274460.7893 0.2445 -4.7594 3 240.3228297 89502 303491733 481732 a-Alanine, conf. I
274475.3004 0.3202 -4.9921 3 293.2260303 89502 303503020 493019 a-Alanine, conf. I
274475.3004 0.3202 -4.9921 3 293.2260303 89502 303503021 493020 a-Alanine, conf. I
274489.3736 4.2875 -5.7587 3 738.1281573 89502 30395 689 95 590 a-Alanine, conf. I
274489.3736 4.2875 -5.7587 3 738.1281573 89502 30395 789 95 690 a-Alanine, conf. I
274555.2667 1.6348 -5.8993 3 1047.2788555 89502 303926032 925933 a-Alanine, conf. I
274555.2667 1.6348 -5.8993 3 1047.2788555 89502 303926033 925934 a-Alanine, conf. I
274570.3860 3.5700 -5.8914 3 962.7207633 89502 303A51392 A51293 a-Alanine, conf. I
274570.3860 3.5700 -5.8914 3 962.7207633 89502 303A51492 A51393 a-Alanine, conf. I
274606.9188 3.6656 -5.9763 3 1033.4943651 89502 303A81593 A81494 a-Alanine, conf. I
274606.9188 3.6656 -5.9763 3 1033.4943651 89502 303A81693 A81594 a-Alanine, conf. I
274646.7429 0.0419 -5.2902 3 124.6744195 89502 303322210 312110 a-Alanine, conf. I
274646.7429 0.0419 -4.2090 3 124.6744195 89502 303322210 312111 a-Alanine, conf. I
274646.7429 0.0419 -4.2090 3 124.6744195 89502 303322211 312110 a-Alanine, conf. I
274646.7429 0.0419 -5.2902 3 124.6744195 89502 303322211 312111 a-Alanine, conf. I
274647.5147 0.1629 -5.5284 3 122.0958225 89502 30337 730 36 630 a-Alanine, conf. I
274647.5482 0.1629 -5.5284 3 122.0958225 89502 30337 830 36 730 a-Alanine, conf. I
274722.0189 4.8066 -5.8797 3 652.7465549 89502 30391 388 91 289 a-Alanine, conf. I
274722.0189 4.8066 -5.8797 3 652.7465549 89502 30391 488 91 389 a-Alanine, conf. I
274765.7127 0.2039 -4.7385 3 266.8600333 89502 30355 847 54 846 a-Alanine, conf. I
274765.7127 0.2039 -4.2117 3 266.8600333 89502 30355 847 54 946 a-Alanine, conf. I
274765.7127 0.2039 -4.2117 3 266.8600333 89502 30355 947 54 846 a-Alanine, conf. I
274765.7127 0.2039 -4.7385 3 266.8600333 89502 30355 947 54 946 a-Alanine, conf. I
274787.7420 1.5529 -5.8760 3 1030.5926549 89502 303916031 915932 a-Alanine, conf. I
274787.7420 1.5529 -5.8760 3 1030.5926549 89502 303916032 915933 a-Alanine, conf. I
274807.0084 3.5767 -5.7679 3 635.4773465 89502 303773543 763640 a-Alanine, conf. I
274807.1589 3.5768 -5.7679 3 635.4773465 89502 303773542 763641 a-Alanine, conf. I
274828.1620 3.4248 -5.4728 3 495.9780417 89502 303692842 682939 a-Alanine, conf. I
274831.3321 0.3757 -5.3902 3 139.0206231 89502 303381127 371027 a-Alanine, conf. I
274847.2777 0.3425 -4.9658 3 288.7336303 89502 303502921 492920 a-Alanine, conf. I
274847.2777 0.3425 -4.9658 3 288.7336303 89502 303502922 492921 a-Alanine, conf. I
274867.6844 0.5858 -4.8040 3 250.2948297 89502 303492129 482128 a-Alanine, conf. I
274944.6933 0.8402 -5.3287 3 159.3770243 89502 303401426 391326 a-Alanine, conf. I
275012.1742 1.4747 -5.8536 3 1014.0893543 89502 303906030 905931 a-Alanine, conf. I
275012.1742 1.4747 -5.8536 3 1014.0893543 89502 303906031 905932 a-Alanine, conf. I
275052.9254 0.6259 -4.8034 3 250.3002297 89502 303492128 482127 a-Alanine, conf. I
275131.5865 0.3483 -5.3893 3 139.0237231 89502 303381227 371127 a-Alanine, conf. I
275172.8651 0.2276 -4.4994 3 246.8813303 89502 303501535 491634 a-Alanine, conf. I
275205.2002 4.0158 -5.7657 3 802.2333591 89502 30398 890 98 791 a-Alanine, conf. I
275205.2002 4.0158 -5.7657 3 802.2333591 89502 30398 990 98 891 a-Alanine, conf. I
275228.7566 1.4003 -5.8320 3 997.7687537 89502 303896029 895930 a-Alanine, conf. I
275228.7566 1.4003 -5.8320 3 997.7687537 89502 303896030 895931 a-Alanine, conf. I
275240.8080 0.2103 -4.2983 3 261.0803321 89502 303531142 521241 a-Alanine, conf. I
275240.8096 0.2103 -4.7523 3 261.0803321 89502 303531242 521241 a-Alanine, conf. I
275240.8118 0.2103 -4.7523 3 261.0803321 89502 303531142 521141 a-Alanine, conf. I
275240.8134 0.2103 -4.2983 3 261.0803321 89502 303531242 521141 a-Alanine, conf. I
275252.3070 0.0474 -5.2977 3 127.3852201 89502 303332112 322012 a-Alanine, conf. I
275252.3070 0.0474 -4.2418 3 127.3852201 89502 303332113 322012 a-Alanine, conf. I
275252.3071 0.0474 -4.2418 3 127.3852201 89502 303332112 322013 a-Alanine, conf. I
275252.3071 0.0474 -5.2977 3 127.3852201 89502 303332113 322013 a-Alanine, conf. I
275267.6823 0.3670 -4.9408 3 284.4153303 89502 303502822 492821 a-Alanine, conf. I
275267.6823 0.3670 -4.9408 3 284.4153303 89502 303502823 492822 a-Alanine, conf. I
275304.5436 0.3828 -4.6897 3 275.8557363 89502 30360 159 59 158 a-Alanine, conf. I
275304.5436 0.3828 -4.0637 3 275.8557363 89502 30360 159 59 258 a-Alanine, conf. I
275304.5436 0.3828 -4.0637 3 275.8557363 89502 30360 259 59 158 a-Alanine, conf. I
275304.5436 0.3828 -4.6897 3 275.8557363 89502 30360 259 59 258 a-Alanine, conf. I
275352.1639 3.5695 -5.7226 3 616.3424459 89502 303763443 753540 a-Alanine, conf. I
275352.8099 3.5701 -5.7226 3 616.3424459 89502 303763442 753541 a-Alanine, conf. I
275415.3584 5.9762 -5.2120 3 356.5327357 89502 303592237 582336 a-Alanine, conf. I
275437.6786 1.3300 -5.8113 3 981.6309531 89502 303886028 885929 a-Alanine, conf. I
275437.6786 1.3300 -5.8113 3 981.6309531 89502 303886029 885930 a-Alanine, conf. I
275490.9608 0.2049 -4.7590 3 246.8813303 89502 303501635 491634 a-Alanine, conf. I
275558.3321 0.0668 -4.4473 3 142.2759225 89502 303371721 361620 a-Alanine, conf. I
275639.1261 1.2638 -5.7914 3 965.6757525 89502 303876027 875928 a-Alanine, conf. I
275639.1261 1.2638 -5.7914 3 965.6757525 89502 303876028 875929 a-Alanine, conf. I
275645.4926 3.8740 -5.4699 3 495.9762417 89502 303692841 682940 a-Alanine, conf. I
275658.0180 0.0672 -5.3226 3 142.2759225 89502 303371720 361620 a-Alanine, conf. I
275677.9208 0.1173 -5.3255 3 147.1206231 89502 303381623 371523 a-Alanine, conf. I
275691.0991 4.5130 -5.7837 3 714.1287567 89502 30394 589 94 490 a-Alanine, conf. I
275691.0991 4.5130 -5.7837 3 714.1287567 89502 30394 689 94 590 a-Alanine, conf. I
275717.2138 0.1806 -5.3232 3 154.5580237 89502 303391623 381523 a-Alanine, conf. I
275737.4140 3.7908 -5.8052 3 868.3560609 89502 303A11091 A1 992 a-Alanine, conf. I
275737.4140 3.7908 -5.8052 3 868.3560609 89502 303A11191 A11092 a-Alanine, conf. I
275746.4113 0.3939 -4.9170 3 280.2741303 89502 303502724 492723 a-Alanine, conf. I
275746.4116 0.3939 -4.9170 3 280.2741303 89502 303502723 492722 a-Alanine, conf. I
275759.1411 0.2376 -4.7123 3 274.5574351 89502 30358 454 57 453 a-Alanine, conf. I
275759.1411 0.2376 -4.1207 3 274.5574351 89502 30358 454 57 553 a-Alanine, conf. I
275759.1411 0.2376 -4.1207 3 274.5574351 89502 30358 554 57 453 a-Alanine, conf. I
275759.1411 0.2376 -4.7123 3 274.5574351 89502 30358 554 57 553 a-Alanine, conf. I
275766.6051 0.0534 -4.2791 3 130.4792207 89502 303342015 331914 a-Alanine, conf. I
275766.6066 0.0534 -5.3045 3 130.4792207 89502 303342014 331914 a-Alanine, conf. I
275766.6138 0.0534 -5.3045 3 130.4792207 89502 303342015 331915 a-Alanine, conf. I
275766.6153 0.0534 -4.2791 3 130.4792207 89502 303342014 331915 a-Alanine, conf. I
275799.8761 0.2013 -4.7579 3 246.8603303 89502 303501535 491534 a-Alanine, conf. I
275812.6070 5.0383 -6.0037 3 629.6581543 89502 30390 288 90 189 a-Alanine, conf. I
275812.6070 5.0383 -6.0037 3 629.6581543 89502 30390 388 90 289 a-Alanine, conf. I
275833.2817 1.2022 -5.7725 3 949.9031519 89502 303866026 865927 a-Alanine, conf. I
275833.2817 1.2022 -5.7725 3 949.9031519 89502 303866027 865928 a-Alanine, conf. I
275890.0458 0.1470 -5.5791 3 119.1456225 89502 30337 631 36 531 a-Alanine, conf. I
275890.0475 0.1470 -5.5791 3 119.1456225 89502 30337 731 36 631 a-Alanine, conf. I
275929.1142 0.0742 -5.3218 3 142.2636225 89502 303371721 361621 a-Alanine, conf. I
276020.3244 1.1452 -5.7545 3 934.3132513 89502 303856025 855926 a-Alanine, conf. I
276020.3244 1.1452 -5.7545 3 934.3132513 89502 303856026 855927 a-Alanine, conf. I
276028.8000 0.0798 -4.4461 3 142.2636225 89502 303371720 361621 a-Alanine, conf. I
276040.4651 3.5745 -5.6779 3 597.5531453 89502 303753343 743440 a-Alanine, conf. I
276043.1339 3.5768 -5.6779 3 597.5531453 89502 303753342 743441 a-Alanine, conf. I
276076.8573 3.6538 -5.8669 3 936.4818627 89502 303A41292 A41193 a-Alanine, conf. I
276076.8573 3.6538 -5.8669 3 936.4818627 89502 303A41392 A41293 a-Alanine, conf. I
276117.9718 0.2150 -4.4960 3 246.8603303 89502 303501635 491534 a-Alanine, conf. I
276128.6724 0.0599 -4.3226 3 133.9724213 89502 303351917 341816 a-Alanine, conf. I
276128.7641 0.0599 -5.3109 3 133.9724213 89502 303351916 341816 a-Alanine, conf. I
276129.1377 0.0599 -5.3109 3 133.9723213 89502 303351917 341817 a-Alanine, conf. I
276129.2294 0.0599 -4.3226 3 133.9723213 89502 303351916 341817 a-Alanine, conf. I
276136.5723 3.8432 -6.0374 3 1078.6804663 89502 303B01694 B01595 a-Alanine, conf. I
276136.5723 3.8432 -6.0374 3 1078.6804663 89502 303B01794 B01695 a-Alanine, conf. I
276139.0684 0.2054 -4.7317 3 271.3817339 89502 30356 749 55 748 a-Alanine, conf. I
276139.0684 0.2054 -4.1854 3 271.3817339 89502 30356 749 55 848 a-Alanine, conf. I
276139.0684 0.2054 -4.1854 3 271.3817339 89502 30356 849 55 748 a-Alanine, conf. I
276139.0684 0.2054 -4.7317 3 271.3817339 89502 30356 849 55 848 a-Alanine, conf. I
276200.4301 1.0933 -5.7375 3 918.9059507 89502 303846024 845925 a-Alanine, conf. I
276200.4301 1.0933 -5.7375 3 918.9059507 89502 303846025 845926 a-Alanine, conf. I
276213.5533 3.6553 -5.9454 3 1006.5952645 89502 303A71493 A71394 a-Alanine, conf. I
276213.5533 3.6553 -5.9454 3 1006.5952645 89502 303A71593 A71494 a-Alanine, conf. I
276214.2602 0.0658 -4.3760 3 137.8890219 89502 303361819 351718 a-Alanine, conf. I
276215.9765 0.6108 -4.7850 3 247.5471297 89502 303492030 482029 a-Alanine, conf. I
276217.9794 0.0660 -5.3167 3 137.8890219 89502 303361818 351718 a-Alanine, conf. I
276227.7529 0.1936 -5.5182 3 75.3769177 89502 30329 722 28 623 a-Alanine, conf. I
276230.6611 0.0664 -5.3166 3 137.8885219 89502 303361819 351719 a-Alanine, conf. I
276234.3803 0.0666 -4.3759 3 137.8885219 89502 303361818 351719 a-Alanine, conf. I
276265.9936 0.2083 -4.4254 3 253.1366309 89502 303511437 501536 a-Alanine, conf. I
276272.5555 0.1916 -5.5181 3 75.3769177 89502 30329 822 28 523 a-Alanine, conf. I
276283.9208 0.2080 -4.7586 3 253.1366309 89502 303511537 501536 a-Alanine, conf. I
276296.5974 0.4236 -4.8942 3 276.3137303 89502 303502625 492624 a-Alanine, conf. I
276296.6014 0.4236 -4.8942 3 276.3137303 89502 303502624 492623 a-Alanine, conf. I
276304.2590 0.2079 -4.7585 3 253.1353309 89502 303511437 501436 a-Alanine, conf. I
276322.1863 0.2077 -4.4252 3 253.1353309 89502 303511537 501436 a-Alanine, conf. I
276373.7716 1.0466 -5.7215 3 903.6811501 89502 303836023 835924 a-Alanine, conf. I
276373.7716 1.0466 -5.7215 3 903.6811501 89502 303836024 835925 a-Alanine, conf. I
276489.1677 4.2263 -5.7680 3 777.5491585 89502 30397 790 97 691 a-Alanine, conf. I
276489.1677 4.2263 -5.7680 3 777.5491585 89502 30397 890 97 791 a-Alanine, conf. I
276529.5319 3.2857 -5.4357 3 479.4713411 89502 303682742 672839 a-Alanine, conf. I
276532.6706 0.0532 -5.2361 3 121.4683171 89502 3032827 1 2726 1 a-Alanine, conf. I
276532.6706 0.0532 -4.0775 3 121.4683171 89502 3032827 1 2726 2 a-Alanine, conf. I
276532.6706 0.0532 -4.0775 3 121.4683171 89502 3032827 2 2726 1 a-Alanine, conf. I
276532.6706 0.0532 -5.2361 3 121.4683171 89502 3032827 2 2726 2 a-Alanine, conf. I
276540.5187 1.0055 -5.7067 3 888.6388495 89502 303826022 825923 a-Alanine, conf. I
276540.5187 1.0055 -5.7067 3 888.6388495 89502 303826023 825924 a-Alanine, conf. I
276551.8668 0.2125 -4.2640 3 266.2750327 89502 303541044 531143 a-Alanine, conf. I
276551.8669 0.2125 -4.7471 3 266.2750327 89502 303541044 531043 a-Alanine, conf. I
276551.8669 0.2125 -4.7471 3 266.2750327 89502 303541144 531143 a-Alanine, conf. I
276551.8670 0.2125 -4.2640 3 266.2750327 89502 303541144 531043 a-Alanine, conf. I
276617.4333 0.4673 -4.6808 3 278.9172369 89502 30361 061 60 060 a-Alanine, conf. I
276617.4333 0.4673 -4.0451 3 278.9172369 89502 30361 061 60 160 a-Alanine, conf. I
276617.4333 0.4673 -4.0451 3 278.9172369 89502 30361 161 60 060 a-Alanine, conf. I
276617.4333 0.4673 -4.6808 3 278.9172369 89502 30361 161 60 160 a-Alanine, conf. I
276697.8672 0.3853 -4.7599 3 242.6699297 89502 303491832 481831 a-Alanine, conf. I
276700.8381 0.9702 -5.6930 3 873.7790489 89502 303816021 815922 a-Alanine, conf. I
276700.8381 0.9702 -5.6930 3 873.7790489 89502 303816022 815923 a-Alanine, conf. I
276854.8938 0.9411 -5.6806 3 859.1016483 89502 303806020 805921 a-Alanine, conf. I
276854.8938 0.9411 -5.6806 3 859.1016483 89502 303806021 805922 a-Alanine, conf. I
276857.7089 4.7442 -5.8270 3 690.3462561 89502 30393 489 93 390 a-Alanine, conf. I
276857.7089 4.7442 -5.8270 3 690.3462561 89502 30393 589 93 490 a-Alanine, conf. I
276902.7605 3.5940 -5.6337 3 579.1112447 89502 303743243 733340 a-Alanine, conf. I
276910.2373 0.5449 -4.5855 3 249.4778303 89502 303501634 491733 a-Alanine, conf. I
276913.3403 3.6025 -5.6337 3 579.1112447 89502 303743242 733341 a-Alanine, conf. I
276923.5645 6.2126 -5.2618 3 381.9165369 89502 303612338 602437 a-Alanine, conf. I
276936.2415 0.4570 -4.8723 3 272.5391303 89502 303502526 492525 a-Alanine, conf. I
276936.2958 0.4570 -4.8723 3 272.5391303 89502 303502525 492524 a-Alanine, conf. I
276975.7371 0.0911 -6.0289 3 122.4643213 89502 303351421 341222 a-Alanine, conf. I
276981.2354 0.4306 -5.9703 3 411.3508309 89502 3035148 3 5048 2 a-Alanine, conf. I
276981.2354 0.4306 -5.9703 3 411.3508309 89502 3035148 4 5048 3 a-Alanine, conf. I
276988.9028 0.1486 -5.6422 3 116.0545225 89502 30337 532 36 432 a-Alanine, conf. I
276988.9029 0.1486 -5.6422 3 116.0545225 89502 30337 632 36 532 a-Alanine, conf. I
277002.8470 0.9182 -5.6695 3 844.6066477 89502 303796019 795920 a-Alanine, conf. I
277002.8470 0.9182 -5.6695 3 844.6066477 89502 303796020 795921 a-Alanine, conf. I
277059.0619 0.4017 -5.8341 3 403.9273309 89502 3035147 4 5047 3 a-Alanine, conf. I
277059.0619 0.4017 -5.8341 3 403.9273309 89502 3035147 5 5047 4 a-Alanine, conf. I
277108.1222 3.9699 -5.7937 3 842.9937603 89502 303A0 991 A0 892 a-Alanine, conf. I
277108.1222 3.9699 -5.7937 3 842.9937603 89502 303A01091 A0 992 a-Alanine, conf. I
277114.1430 0.2768 -4.7042 3 278.2454357 89502 30359 356 58 355 a-Alanine, conf. I
277114.1430 0.2768 -4.0999 3 278.2454357 89502 30359 356 58 455 a-Alanine, conf. I
277114.1430 0.2768 -4.0999 3 278.2454357 89502 30359 456 58 355 a-Alanine, conf. I
277114.1430 0.2768 -4.7042 3 278.2454357 89502 30359 456 58 455 a-Alanine, conf. I
277137.7797 0.1187 -5.8112 3 66.1326171 89502 30328 523 27 424 a-Alanine, conf. I
277138.2478 0.1187 -5.8112 3 66.1326171 89502 30328 623 27 324 a-Alanine, conf. I
277143.1017 0.3745 -5.7263 3 396.6627309 89502 3035146 5 5046 4 a-Alanine, conf. I
277143.1017 0.3745 -5.7263 3 396.6627309 89502 3035146 6 5046 5 a-Alanine, conf. I
277144.8563 0.9016 -5.6599 3 830.2940471 89502 303786018 785919 a-Alanine, conf. I
277144.8563 0.9016 -5.6599 3 830.2940471 89502 303786019 785920 a-Alanine, conf. I
277145.3555 0.5470 -4.7689 3 245.0288297 89502 303491931 481930 a-Alanine, conf. I
277233.9078 0.3492 -5.6365 3 389.5572309 89502 3035145 6 5045 5 a-Alanine, conf. I
277233.9078 0.3492 -5.6365 3 389.5572309 89502 3035145 7 5045 6 a-Alanine, conf. I
277236.1096 0.2479 -4.7485 3 240.1029297 89502 303491633 481632 a-Alanine, conf. I
277244.3830 1.7259 -5.3987 3 447.5992399 89502 303662542 652639 a-Alanine, conf. I
277266.3099 0.0418 -5.2455 3 122.5675177 89502 3032926 3 2825 3 a-Alanine, conf. I
277266.3099 0.0418 -4.1001 3 122.5675177 89502 3032926 3 2825 4 a-Alanine, conf. I
277266.3099 0.0418 -4.1001 3 122.5675177 89502 3032926 4 2825 3 a-Alanine, conf. I
277266.3099 0.0418 -5.2455 3 122.5675177 89502 3032926 4 2825 4 a-Alanine, conf. I
277281.0777 0.8913 -5.6517 3 816.1637465 89502 303776017 775918 a-Alanine, conf. I
277281.0777 0.8913 -5.6517 3 816.1637465 89502 303776018 775919 a-Alanine, conf. I
277291.8543 0.2130 -4.3710 3 259.0982315 89502 303521339 511438 a-Alanine, conf. I
277292.6047 0.2130 -4.7565 3 259.0982315 89502 303521439 511438 a-Alanine, conf. I
277293.5562 0.2130 -4.7565 3 259.0982315 89502 303521339 511338 a-Alanine, conf. I
277294.3065 0.2130 -4.3710 3 259.0982315 89502 303521439 511338 a-Alanine, conf. I
277319.8420 0.8146 -4.7814 3 247.5852297 89502 303492029 482028 a-Alanine, conf. I
277332.1005 0.3261 -5.5593 3 382.6112309 89502 3035144 7 5044 6 a-Alanine, conf. I
277332.1005 0.3261 -5.5593 3 382.6112309 89502 3035144 8 5044 7 a-Alanine, conf. I
277348.3385 0.2656 -4.5540 3 147.1206231 89502 303381622 371523 a-Alanine, conf. I
277359.9245 0.2969 -5.4126 3 136.6060231 89502 303381028 37 928 a-Alanine, conf. I
277394.6179 0.2935 -5.4125 3 136.6063231 89502 303381128 371028 a-Alanine, conf. I
277411.6644 0.8872 -5.6453 3 802.2157459 89502 303766016 765917 a-Alanine, conf. I
277411.6644 0.8872 -5.6453 3 802.2157459 89502 303766017 765918 a-Alanine, conf. I
277438.3781 0.3055 -5.4915 3 375.8249309 89502 3035143 8 5043 7 a-Alanine, conf. I
277438.3781 0.3055 -5.4915 3 375.8249309 89502 3035143 9 5043 8 a-Alanine, conf. I
277494.1053 0.3382 -5.2489 3 91.8891189 89502 303311121 30 822 a-Alanine, conf. I
277514.0254 0.2112 -4.7246 3 275.7034345 89502 30357 651 56 650 a-Alanine, conf. I
277514.0254 0.2112 -4.1611 3 275.7034345 89502 30357 651 56 750 a-Alanine, conf. I
277514.0254 0.2112 -4.1611 3 275.7034345 89502 30357 751 56 650 a-Alanine, conf. I
277514.0254 0.2112 -4.7246 3 275.7034345 89502 30357 751 56 750 a-Alanine, conf. I
277536.7675 0.8890 -5.6407 3 788.4500453 89502 303756015 755916 a-Alanine, conf. I
277536.7675 0.8890 -5.6407 3 788.4500453 89502 303756016 755917 a-Alanine, conf. I
277539.2078 3.7786 -5.8460 3 910.4484621 89502 303A31192 A31093 a-Alanine, conf. I
277539.2078 3.7786 -5.8460 3 910.4484621 89502 303A31292 A31193 a-Alanine, conf. I
277553.5298 0.2877 -5.4308 3 369.1987309 89502 3035142 9 5042 8 a-Alanine, conf. I
277553.5298 0.2877 -5.4308 3 369.1987309 89502 303514210 5042 9 a-Alanine, conf. I
277656.5354 0.8963 -5.6382 3 774.8665447 89502 303746014 745915 a-Alanine, conf. I
277656.5354 0.8963 -5.6382 3 774.8665447 89502 303746015 745916 a-Alanine, conf. I
277678.4504 0.2731 -5.3759 3 362.7330309 89502 303514110 5041 9 a-Alanine, conf. I
277678.4504 0.2731 -5.3759 3 362.7330309 89502 303514111 504110 a-Alanine, conf. I
277690.9509 0.4953 -4.8512 3 268.9565303 89502 303502427 492426 a-Alanine, conf. I
277691.5833 0.4955 -4.8512 3 268.9565303 89502 303502426 492425 a-Alanine, conf. I
277735.7717 4.4486 -5.7798 3 753.0787579 89502 30396 690 96 591 a-Alanine, conf. I
277735.7717 4.4486 -5.7798 3 753.0787579 89502 30396 790 96 691 a-Alanine, conf. I
277758.8900 2.8095 -5.4068 3 463.3382405 89502 303672642 662739 a-Alanine, conf. I
277771.1143 0.9088 -5.6379 3 761.4652441 89502 303736013 735914 a-Alanine, conf. I
277771.1143 0.9088 -5.6379 3 761.4652441 89502 303736014 735915 a-Alanine, conf. I
277772.9161 3.6989 -5.9173 3 979.8981639 89502 303A61393 A61294 a-Alanine, conf. I
277772.9161 3.6989 -5.9173 3 979.8981639 89502 303A61493 A61394 a-Alanine, conf. I
277798.8645 3.7824 -6.0035 3 1051.3272657 89502 303A91594 A91495 a-Alanine, conf. I
277798.8645 3.7824 -6.0035 3 1051.3272657 89502 303A91694 A91595 a-Alanine, conf. I
277812.7634 0.7877 -6.0587 3 121.1331213 89502 303351322 341123 a-Alanine, conf. I
277814.1592 0.2621 -5.3257 3 356.4282309 89502 303514011 504010 a-Alanine, conf. I
277814.1592 0.2621 -5.3257 3 356.4282309 89502 303514012 504011 a-Alanine, conf. I
277880.6480 0.9258 -5.6402 3 748.2460435 89502 303726012 725913 a-Alanine, conf. I
277880.6480 0.9258 -5.6402 3 748.2460435 89502 303726013 725914 a-Alanine, conf. I
277897.8092 0.2134 -4.7414 3 271.2542333 89502 30355 946 54 945 a-Alanine, conf. I
277897.8092 0.2134 -4.2334 3 271.2542333 89502 30355 946 541045 a-Alanine, conf. I
277897.8092 0.2134 -4.2334 3 271.2542333 89502 303551046 54 945 a-Alanine, conf. I
277897.8092 0.2134 -4.7414 3 271.2542333 89502 303551046 541045 a-Alanine, conf. I
277961.8221 0.2550 -5.2794 3 350.2849309 89502 303513912 503911 a-Alanine, conf. I
277961.8221 0.2550 -5.2794 3 350.2849309 89502 303513913 503912 a-Alanine, conf. I
277972.1435 0.1667 -5.7233 3 112.8269225 89502 30337 433 36 333 a-Alanine, conf. I
277972.1435 0.1667 -5.7233 3 112.8269225 89502 30337 533 36 433 a-Alanine, conf. I
277976.5223 3.6293 -5.5901 3 561.0187441 89502 303733143 723240 a-Alanine, conf. I
277985.2783 0.9469 -5.6454 3 735.2090429 89502 303716011 715912 a-Alanine, conf. I
277985.2783 0.9469 -5.6454 3 735.2090429 89502 303716012 715913 a-Alanine, conf. I
277990.3452 4.9789 -5.8989 3 666.7818555 89502 30392 389 92 290 a-Alanine, conf. I
277990.3452 4.9789 -5.8989 3 666.7818555 89502 30392 489 92 390 a-Alanine, conf. I
277990.9793 0.0367 -5.2546 3 124.0185183 89502 3033025 5 2924 5 a-Alanine, conf. I
277990.9793 0.0367 -4.1240 3 124.0185183 89502 3033025 5 2924 6 a-Alanine, conf. I
277990.9793 0.0367 -4.1240 3 124.0185183 89502 3033025 6 2924 5 a-Alanine, conf. I
277990.9793 0.0367 -5.2546 3 124.0185183 89502 3033025 6 2924 6 a-Alanine, conf. I
278016.6205 3.6589 -5.5900 3 561.0187441 89502 303733142 723241 a-Alanine, conf. I
278085.1444 0.9716 -5.6540 3 722.3540423 89502 303706010 705911 a-Alanine, conf. I
278085.1444 0.9716 -5.6540 3 722.3540423 89502 303706011 705912 a-Alanine, conf. I
278122.7799 0.2519 -5.2366 3 344.3034309 89502 303513813 503812 a-Alanine, conf. I
278122.7799 0.2519 -5.2366 3 344.3034309 89502 303513814 503813 a-Alanine, conf. I
278180.3836 0.9994 -5.6664 3 709.6811417 89502 3036960 9 695910 a-Alanine, conf. I
278180.3836 0.9994 -5.6664 3 709.6811417 89502 303696010 695911 a-Alanine, conf. I
278198.3616 0.6216 -5.3022 3 168.5481249 89502 303411526 401426 a-Alanine, conf. I
278255.7651 0.2928 -5.3271 3 152.3329237 89502 303391525 381425 a-Alanine, conf. I
278271.1312 1.0297 -5.6836 3 697.1902411 89502 3036860 8 6859 9 a-Alanine, conf. I
278271.1312 1.0297 -5.6836 3 697.1902411 89502 3036860 9 685910 a-Alanine, conf. I
278298.5823 0.2529 -5.1966 3 338.4846309 89502 303513714 503713 a-Alanine, conf. I
278298.5823 0.2529 -5.1966 3 338.4846309 89502 303513715 503714 a-Alanine, conf. I
278337.4736 2.0367 -6.0398 3 1142.5676585 89502 303976136 976037 a-Alanine, conf. I
278337.4736 2.0367 -6.0398 3 1142.5676585 89502 303976137 976038 a-Alanine, conf. I
278357.5200 1.0623 -5.7065 3 684.8813405 89502 3036760 7 6759 8 a-Alanine, conf. I
278357.5200 1.0623 -5.7065 3 684.8813405 89502 3036760 8 6759 9 a-Alanine, conf. I
278366.0288 2.6276 -4.8262 3 273.3300315 89502 303521834 511933 a-Alanine, conf. I
278439.0139 4.1701 -5.7882 3 817.8420597 89502 30399 891 99 792 a-Alanine, conf. I
278439.0139 4.1701 -5.7882 3 817.8420597 89502 30399 991 99 892 a-Alanine, conf. I
278439.6812 1.0966 -5.7365 3 672.7544399 89502 3036660 6 6659 7 a-Alanine, conf. I
278439.6812 1.0966 -5.7365 3 672.7544399 89502 3036660 7 6659 8 a-Alanine, conf. I
278453.3087 0.4002 -5.3416 3 150.3473237 89502 303391426 381326 a-Alanine, conf. I
278455.3894 0.3322 -4.6960 3 281.7392363 89502 30360 258 59 257 a-Alanine, conf. I
278455.3894 0.3322 -4.0802 3 281.7392363 89502 30360 258 59 357 a-Alanine, conf. I
278455.3894 0.3322 -4.0802 3 281.7392363 89502 30360 358 59 257 a-Alanine, conf. I
278455.3894 0.3322 -4.6960 3 281.7392363 89502 30360 358 59 357 a-Alanine, conf. I
278462.6141 0.2174 -4.3269 3 264.7989321 89502 303531241 521340 a-Alanine, conf. I
278462.6384 0.2174 -4.7531 3 264.7989321 89502 303531341 521340 a-Alanine, conf. I
278462.6720 0.2174 -4.7531 3 264.7989321 89502 303531241 521240 a-Alanine, conf. I
278462.6963 0.2174 -4.3269 3 264.7989321 89502 303531341 521240 a-Alanine, conf. I
278491.0316 0.2579 -5.1593 3 332.8291309 89502 303513615 503614 a-Alanine, conf. I
278491.0316 0.2579 -5.1593 3 332.8291309 89502 303513616 503615 a-Alanine, conf. I
278517.7436 1.1325 -5.7758 3 660.8093393 89502 3036560 5 6559 6 a-Alanine, conf. I
278517.7436 1.1325 -5.7758 3 660.8093393 89502 3036560 6 6559 7 a-Alanine, conf. I
278591.8344 1.1695 -5.8276 3 649.0461387 89502 3036460 4 6459 5 a-Alanine, conf. I
278591.8344 1.1695 -5.8276 3 649.0461387 89502 3036460 5 6459 6 a-Alanine, conf. I
278596.7245 1.9398 -6.0133 3 1124.9762579 89502 303966135 966036 a-Alanine, conf. I
278596.7245 1.9398 -6.0133 3 1124.9762579 89502 303966136 966037 a-Alanine, conf. I
278597.8413 0.5404 -4.8308 3 265.5746303 89502 303502328 492327 a-Alanine, conf. I
278604.1817 0.5421 -4.8308 3 265.5747303 89502 303502327 492326 a-Alanine, conf. I
278629.2012 0.1796 -5.3124 3 162.0818243 89502 303401624 391524 a-Alanine, conf. I
278662.0785 1.2074 -5.8975 3 637.4648381 89502 3036360 3 6359 4 a-Alanine, conf. I
278662.0785 1.2074 -5.8975 3 637.4648381 89502 3036360 4 6359 5 a-Alanine, conf. I
278700.0251 0.0373 -5.2633 3 125.8250189 89502 3033124 7 3023 7 a-Alanine, conf. I
278700.0251 0.0373 -4.1496 3 125.8250189 89502 3033124 7 3023 8 a-Alanine, conf. I
278700.0251 0.0373 -4.1496 3 125.8250189 89502 3033124 8 3023 7 a-Alanine, conf. I
278700.0251 0.0373 -5.2633 3 125.8250189 89502 3033124 8 3023 8 a-Alanine, conf. I
278702.2382 0.2665 -5.1242 3 327.3376309 89502 303513516 503515 a-Alanine, conf. I
278702.2382 0.2665 -5.1242 3 327.3376309 89502 303513517 503516 a-Alanine, conf. I
278728.5991 1.2460 -5.9957 3 626.0652375 89502 3036260 2 6259 3 a-Alanine, conf. I
278728.5991 1.2460 -5.9957 3 626.0652375 89502 3036260 3 6259 4 a-Alanine, conf. I
278750.6048 1.0057 -5.0996 3 113.1662207 89502 303341222 331123 a-Alanine, conf. I
278847.4631 1.8464 -5.9875 3 1107.5675573 89502 303956134 956035 a-Alanine, conf. I
278847.4631 1.8464 -5.9875 3 1107.5675573 89502 303956135 956036 a-Alanine, conf. I
278860.2332 0.1966 -5.8324 3 109.4664225 89502 30337 334 36 234 a-Alanine, conf. I
278860.2332 0.1966 -5.8324 3 109.4664225 89502 30337 434 36 334 a-Alanine, conf. I
278884.1845 6.2022 -5.3044 3 408.1746381 89502 303632439 622538 a-Alanine, conf. I
278884.8563 0.2253 -4.7173 3 279.8276351 89502 30358 553 57 552 a-Alanine, conf. I
278884.8563 0.2253 -4.1385 3 279.8276351 89502 30358 553 57 652 a-Alanine, conf. I
278884.8563 0.2253 -4.1385 3 279.8276351 89502 30358 653 57 552 a-Alanine, conf. I
278884.8563 0.2253 -4.7173 3 279.8276351 89502 30358 653 57 652 a-Alanine, conf. I
278934.6917 0.2785 -5.0911 3 322.0113309 89502 303513417 503416 a-Alanine, conf. I
278934.6917 0.2785 -5.0911 3 322.0113309 89502 303513418 503417 a-Alanine, conf. I
278936.6840 0.9784 -4.7384 3 234.1071291 89502 303481830 471829 a-Alanine, conf. I
278946.2617 4.6793 -5.8044 3 728.8235573 89502 30395 590 95 491 a-Alanine, conf. I
278946.2617 4.6793 -5.8044 3 728.8235573 89502 30395 690 95 591 a-Alanine, conf. I
278959.0514 3.9370 -5.8291 3 884.6223615 89502 303A21092 A2 993 a-Alanine, conf. I
278959.0514 3.9370 -5.8291 3 884.6223615 89502 303A21192 A21093 a-Alanine, conf. I
279027.1442 0.2330 -4.7549 3 249.4778303 89502 303501734 491733 a-Alanine, conf. I
279057.2804 4.5172 -5.4265 3 479.4649411 89502 303682741 672840 a-Alanine, conf. I
279089.8864 1.7566 -5.9625 3 1090.3414567 89502 303946133 946034 a-Alanine, conf. I
279089.8864 1.7566 -5.9625 3 1090.3414567 89502 303946134 946035 a-Alanine, conf. I
279090.0929 5.2153 -6.0224 3 643.4370549 89502 30391 289 91 190 a-Alanine, conf. I
279090.0929 5.2153 -6.0224 3 643.4370549 89502 30391 389 91 290 a-Alanine, conf. I
279113.7383 9.2072 -5.7865 3 512.5798429 89502 303712547 702644 a-Alanine, conf. I
279191.3545 0.2935 -5.0599 3 316.8510309 89502 303513318 503317 a-Alanine, conf. I
279191.3545 0.2935 -5.0599 3 316.8510309 89502 303513319 503318 a-Alanine, conf. I
279262.3464 0.2138 -4.7353 3 276.0252339 89502 30356 848 55 847 a-Alanine, conf. I
279262.3464 0.2138 -4.2057 3 276.0252339 89502 30356 848 55 947 a-Alanine, conf. I
279262.3464 0.2138 -4.2057 3 276.0252339 89502 30356 948 55 847 a-Alanine, conf. I
279262.3464 0.2138 -4.7353 3 276.0252339 89502 30356 948 55 947 a-Alanine, conf. I
279286.8051 3.7903 -5.8923 3 953.4047633 89502 303A51293 A51194 a-Alanine, conf. I
279286.8051 3.7903 -5.8923 3 953.4047633 89502 303A51393 A51294 a-Alanine, conf. I
279299.4979 0.2431 -5.4408 3 134.0129231 89502 30338 929 37 829 a-Alanine, conf. I
279300.0725 3.6746 -5.5473 3 543.2783435 89502 303723043 713140 a-Alanine, conf. I
279302.6362 0.2428 -5.4408 3 134.0129231 89502 303381029 37 929 a-Alanine, conf. I
279324.1873 1.6703 -5.9382 3 1073.2979561 89502 303936132 936033 a-Alanine, conf. I
279324.1873 1.6703 -5.9382 3 1073.2979561 89502 303936133 936034 a-Alanine, conf. I
279383.2622 0.0413 -5.2715 3 127.9921195 89502 3033223 9 3122 9 a-Alanine, conf. I
279383.2622 0.0413 -4.1773 3 127.9921195 89502 3033223 9 312210 a-Alanine, conf. I
279383.2622 0.0413 -4.1773 3 127.9921195 89502 303322310 3122 9 a-Alanine, conf. I
279383.2622 0.0413 -5.2715 3 127.9921195 89502 303322310 312210 a-Alanine, conf. I
279412.3921 3.7803 -5.9722 3 1024.1741651 89502 303A81494 A81395 a-Alanine, conf. I
279412.3921 3.7803 -5.9722 3 1024.1741651 89502 303A81594 A81495 a-Alanine, conf. I
279444.6887 3.7724 -5.5468 3 543.2780435 89502 303723042 713141 a-Alanine, conf. I
279475.7856 0.3111 -5.0303 3 311.8583309 89502 303513219 503218 a-Alanine, conf. I
279475.7856 0.3111 -5.0303 3 311.8583309 89502 303513220 503219 a-Alanine, conf. I
279497.0518 0.5062 -5.3611 3 148.1880237 89502 303391227 381127 a-Alanine, conf. I
279550.5550 1.5878 -5.9146 3 1056.4369555 89502 303926131 926032 a-Alanine, conf. I
279550.5550 1.5878 -5.9146 3 1056.4369555 89502 303926132 926033 a-Alanine, conf. I
279608.1150 0.3586 -4.7267 3 232.5711291 89502 303481731 471730 a-Alanine, conf. I
279668.6457 0.2340 -5.9928 3 105.9756225 89502 30337 235 36 135 a-Alanine, conf. I
279668.6457 0.2340 -5.9928 3 105.9756225 89502 30337 335 36 235 a-Alanine, conf. I
279704.5467 0.5930 -4.8109 3 262.4051303 89502 303502229 492228 a-Alanine, conf. I
279704.7229 0.2225 -4.4758 3 256.0706309 89502 303511536 501635 a-Alanine, conf. I
279726.3644 0.2209 -4.2893 3 270.2613327 89502 303541143 531242 a-Alanine, conf. I
279726.3650 0.2209 -4.7488 3 270.2613327 89502 303541243 531242 a-Alanine, conf. I
279726.3659 0.2209 -4.7488 3 270.2613327 89502 303541143 531142 a-Alanine, conf. I
279726.3665 0.2209 -4.2893 3 270.2613327 89502 303541243 531142 a-Alanine, conf. I
279731.4624 4.3861 -5.7900 3 792.9024591 89502 30398 791 98 692 a-Alanine, conf. I
279731.4624 4.3861 -5.7900 3 792.9024591 89502 30398 891 98 792 a-Alanine, conf. I
279758.3180 0.6062 -4.8107 3 262.4066303 89502 303502228 492227 a-Alanine, conf. I
279769.1753 1.5091 -5.8919 3 1039.7586549 89502 303916130 916031 a-Alanine, conf. I
279769.1753 1.5091 -5.8919 3 1039.7586549 89502 303916131 916032 a-Alanine, conf. I
279780.7210 0.4038 -4.6877 3 285.0389369 89502 30361 160 60 159 a-Alanine, conf. I
279780.7210 0.4038 -4.0614 3 285.0389369 89502 30361 160 60 259 a-Alanine, conf. I
279780.7210 0.4038 -4.0614 3 285.0389369 89502 30361 260 60 159 a-Alanine, conf. I
279780.7210 0.4038 -4.6877 3 285.0389369 89502 30361 260 60 259 a-Alanine, conf. I
279792.3103 0.3311 -5.0023 3 307.0345309 89502 303513120 503119 a-Alanine, conf. I
279792.3103 0.3311 -5.0023 3 307.0345309 89502 303513121 503120 a-Alanine, conf. I
279846.8026 3.9978 -6.0492 3 772.7085507 89502 303844143 834242 a-Alanine, conf. I
279846.8026 3.9978 -6.0492 3 772.7085507 89502 303844144 834241 a-Alanine, conf. I
279862.6933 0.2144 -4.7555 3 256.0706309 89502 303511636 501635 a-Alanine, conf. I
279956.1015 3.9544 -6.0001 3 751.3531501 89502 303834044 824141 a-Alanine, conf. I
279956.1017 3.9544 -6.0001 3 751.3531501 89502 303834043 824142 a-Alanine, conf. I
279980.2303 1.4343 -5.8699 3 1023.2627543 89502 303906129 906030 a-Alanine, conf. I
279980.2303 1.4343 -5.8699 3 1023.2627543 89502 303906130 906031 a-Alanine, conf. I
280022.8185 0.2122 -4.7550 3 256.0600309 89502 303511536 501535 a-Alanine, conf. I
280024.9087 0.0466 -5.2793 3 130.5262201 89502 303332211 322111 a-Alanine, conf. I
280024.9087 0.0466 -4.2076 3 130.5262201 89502 303332211 322112 a-Alanine, conf. I
280024.9087 0.0466 -4.2076 3 130.5262201 89502 303332212 322111 a-Alanine, conf. I
280024.9087 0.0466 -5.2793 3 130.5262201 89502 303332212 322112 a-Alanine, conf. I
280096.3018 0.0806 -4.4628 3 149.2154231 89502 303381722 371621 a-Alanine, conf. I
280121.8215 4.9155 -5.8472 3 704.7849567 89502 30394 490 94 391 a-Alanine, conf. I
280121.8215 4.9155 -5.8472 3 704.7849567 89502 30394 590 94 491 a-Alanine, conf. I
280125.6329 3.9156 -5.9515 3 730.3378495 89502 303823944 814041 a-Alanine, conf. I
280125.6337 3.9156 -5.9515 3 730.3378495 89502 303823943 814042 a-Alanine, conf. I
280146.2533 0.3533 -4.9756 3 302.3815309 89502 303513021 503020 a-Alanine, conf. I
280146.2533 0.3533 -4.9756 3 302.3815309 89502 303513022 503021 a-Alanine, conf. I
280180.7889 0.2147 -4.4742 3 256.0600309 89502 303511636 501535 a-Alanine, conf. I
280183.8990 1.3638 -5.8488 3 1006.9494537 89502 303896128 896029 a-Alanine, conf. I
280183.8990 1.3638 -5.8488 3 1006.9494537 89502 303896129 896030 a-Alanine, conf. I
280247.3142 0.2516 -4.7098 3 283.7557357 89502 30359 455 58 454 a-Alanine, conf. I
280247.3142 0.2516 -4.1173 3 283.7557357 89502 30359 455 58 554 a-Alanine, conf. I
280247.3142 0.2516 -4.1173 3 283.7557357 89502 30359 555 58 454 a-Alanine, conf. I
280247.3142 0.2516 -4.7098 3 283.7557357 89502 30359 555 58 554 a-Alanine, conf. I
280326.5034 0.0725 -5.3123 3 149.2154231 89502 303381721 371621 a-Alanine, conf. I
280337.9049 4.1223 -5.8172 3 859.0049609 89502 303A1 992 A1 893 a-Alanine, conf. I
280337.9049 4.1223 -5.8172 3 859.0049609 89502 303A11092 A1 993 a-Alanine, conf. I
280364.6763 3.8822 -5.9036 3 709.6635489 89502 303813844 803941 a-Alanine, conf. I
280364.6801 3.8822 -5.9036 3 709.6635489 89502 303813843 803942 a-Alanine, conf. I
280380.3569 1.2977 -5.8286 3 990.8185531 89502 303886127 886028 a-Alanine, conf. I
280380.3569 1.2977 -5.8286 3 990.8185531 89502 303886128 886029 a-Alanine, conf. I
280386.3563 0.2648 -5.4068 3 82.5364183 89502 30330 822 29 723 a-Alanine, conf. I
280415.6950 1.3128 -4.6790 3 261.2990309 89502 303511734 501833 a-Alanine, conf. I
280533.6887 1.0944 -4.6256 3 230.9652291 89502 303481732 471631 a-Alanine, conf. I
280544.2737 0.3778 -4.9502 3 297.9015309 89502 303512922 502921 a-Alanine, conf. I
280544.2737 0.3778 -4.9502 3 297.9015309 89502 303512923 502922 a-Alanine, conf. I
280551.1012 0.4108 -5.3581 3 148.2012237 89502 303391327 381227 a-Alanine, conf. I
280552.8604 0.8317 -4.7129 3 145.1997231 89502 303381523 371424 a-Alanine, conf. I
280569.7766 1.2362 -5.8093 3 974.8700525 89502 303876126 876027 a-Alanine, conf. I
280569.7766 1.2362 -5.8093 3 974.8700525 89502 303876127 876028 a-Alanine, conf. I
280582.5202 0.2692 -5.5609 3 89.3197183 89502 303301318 291019 a-Alanine, conf. I
280599.9232 0.0525 -4.2416 3 133.4364207 89502 303342114 332013 a-Alanine, conf. I
280599.9233 0.0525 -5.2867 3 133.4364207 89502 303342113 332013 a-Alanine, conf. I
280599.9236 0.0525 -5.2867 3 133.4364207 89502 303342114 332014 a-Alanine, conf. I
280599.9237 0.0525 -4.2416 3 133.4364207 89502 303342113 332014 a-Alanine, conf. I
280602.6603 0.2547 -5.4063 3 82.5363183 89502 30330 922 29 623 a-Alanine, conf. I
280621.3930 0.3190 -5.7228 3 83.7059177 89502 303291317 281018 a-Alanine, conf. I
280634.7222 0.2158 -4.7288 3 280.5927345 89502 30357 750 56 749 a-Alanine, conf. I
280634.7222 0.2158 -4.1804 3 280.5927345 89502 30357 750 56 849 a-Alanine, conf. I
280634.7222 0.2158 -4.1804 3 280.5927345 89502 30357 850 56 749 a-Alanine, conf. I
280634.7222 0.2158 -4.7288 3 280.5927345 89502 30357 850 56 849 a-Alanine, conf. I
280684.5462 3.8553 -5.8562 3 689.3310483 89502 303803744 793841 a-Alanine, conf. I
280684.5641 3.8553 -5.8562 3 689.3310483 89502 303803743 793842 a-Alanine, conf. I
280686.3035 0.2190 -4.4093 3 262.3524315 89502 303521438 511537 a-Alanine, conf. I
280694.5819 0.2189 -4.7551 3 262.3524315 89502 303521538 511537 a-Alanine, conf. I
280704.2308 0.2189 -4.7551 3 262.3518315 89502 303521438 511437 a-Alanine, conf. I
280712.5091 0.2188 -4.4093 3 262.3518315 89502 303521538 511437 a-Alanine, conf. I
280726.3795 0.2365 -4.7486 3 249.3505303 89502 303501634 491633 a-Alanine, conf. I
280752.3277 1.1796 -5.7910 3 959.1040519 89502 303866125 866026 a-Alanine, conf. I
280752.3277 1.1796 -5.7910 3 959.1040519 89502 303866126 866027 a-Alanine, conf. I
280756.9044 3.9222 -5.8708 3 927.1167627 89502 303A41193 A41094 a-Alanine, conf. I
280756.9044 3.9222 -5.8708 3 927.1167627 89502 303A41293 A41194 a-Alanine, conf. I
280887.9933 3.7042 -5.5055 3 525.8935429 89502 303712943 703040 a-Alanine, conf. I
280903.0476 0.0831 -5.3108 3 149.1885231 89502 303381722 371622 a-Alanine, conf. I
280914.3837 0.2016 -5.4751 3 131.2570231 89502 30338 830 37 730 a-Alanine, conf. I
280914.6106 0.2016 -5.4751 3 131.2570231 89502 30338 930 37 830 a-Alanine, conf. I
280928.1769 1.1282 -5.7737 3 943.5203513 89502 303856124 856025 a-Alanine, conf. I
280928.1769 1.1282 -5.7737 3 943.5203513 89502 303856125 856026 a-Alanine, conf. I
280979.0357 3.8319 -5.9436 3 997.2228645 89502 303A71394 A71295 a-Alanine, conf. I
280979.0357 3.8319 -5.9436 3 997.2228645 89502 303A71494 A71395 a-Alanine, conf. I
280986.7654 4.6137 -5.8014 3 768.1764585 89502 30397 691 97 592 a-Alanine, conf. I
280986.7654 4.6137 -5.8014 3 768.1764585 89502 30397 791 97 692 a-Alanine, conf. I
280994.0158 3.9032 -6.0312 3 1069.3074663 89502 303B01595 B01496 a-Alanine, conf. I
280994.0158 3.9032 -6.0312 3 1069.3074663 89502 303B01695 B01596 a-Alanine, conf. I
280994.8560 0.4046 -4.9260 3 293.5972309 89502 303512823 502822 a-Alanine, conf. I
280994.8560 0.4046 -4.9260 3 293.5972309 89502 303512824 502823 a-Alanine, conf. I
280999.2973 0.1595 -5.3140 3 154.2725237 89502 303391624 381524 a-Alanine, conf. I
281023.9935 0.6426 -4.7914 3 259.4634303 89502 303502130 492129 a-Alanine, conf. I
281044.3225 0.2229 -4.7439 3 275.4997333 89502 303551045 541044 a-Alanine, conf. I
281044.3225 0.2229 -4.2565 3 275.4997333 89502 303551045 541144 a-Alanine, conf. I
281044.3225 0.2229 -4.2565 3 275.4997333 89502 303551145 541044 a-Alanine, conf. I
281044.3225 0.2229 -4.7439 3 275.4997333 89502 303551145 541144 a-Alanine, conf. I
281052.2518 0.8028 -4.5939 3 240.1029297 89502 303491733 481632 a-Alanine, conf. I
281066.9728 0.0590 -4.2804 3 136.7349213 89502 303352016 341915 a-Alanine, conf. I
281066.9780 0.0590 -5.2935 3 136.7349213 89502 303352015 341915 a-Alanine, conf. I
281067.0017 0.0590 -5.2935 3 136.7349213 89502 303352016 341916 a-Alanine, conf. I
281067.0069 0.0590 -4.2804 3 136.7349213 89502 303352015 341916 a-Alanine, conf. I
281088.3446 0.4913 -4.6792 3 288.1442375 89502 30362 062 61 061 a-Alanine, conf. I
281088.3446 0.4913 -4.0434 3 288.1442375 89502 30362 062 61 161 a-Alanine, conf. I
281088.3446 0.4913 -4.0434 3 288.1442375 89502 30362 162 61 061 a-Alanine, conf. I
281088.3446 0.4913 -4.6792 3 288.1442375 89502 30362 162 61 161 a-Alanine, conf. I
281097.4878 1.0822 -5.7574 3 928.1189507 89502 303846123 846024 a-Alanine, conf. I
281097.4878 1.0822 -5.7574 3 928.1189507 89502 303846124 846025 a-Alanine, conf. I
281099.2183 3.8361 -5.8094 3 669.3414477 89502 303793644 783741 a-Alanine, conf. I
281099.2990 3.8362 -5.8094 3 669.3414477 89502 303793643 783742 a-Alanine, conf. I
281133.2492 0.0992 -4.4603 3 149.1885231 89502 303381721 371622 a-Alanine, conf. I
281222.9438 0.0646 -5.2172 3 125.6134171 89502 3032828 0 2727 0 a-Alanine, conf. I
281222.9438 0.0646 -4.0526 3 125.6134171 89502 3032828 0 2727 1 a-Alanine, conf. I
281222.9438 0.0646 -4.0526 3 125.6134171 89502 3032828 1 2727 0 a-Alanine, conf. I
281222.9438 0.0646 -5.2172 3 125.6134171 89502 3032828 1 2727 1 a-Alanine, conf. I
281260.4216 1.0421 -5.7422 3 912.8999501 89502 303836122 836023 a-Alanine, conf. I
281260.4216 1.0421 -5.7422 3 912.8999501 89502 303836123 836024 a-Alanine, conf. I
281263.5743 5.1551 -5.9185 3 680.9643561 89502 30393 390 93 291 a-Alanine, conf. I
281263.5743 5.1551 -5.9185 3 680.9643561 89502 30393 490 93 391 a-Alanine, conf. I
281291.6594 0.0709 -4.3833 3 144.5795225 89502 303371820 361719 a-Alanine, conf. I
281298.9884 14.1185 -5.9917 3 571.0074453 89502 303752650 742747 a-Alanine, conf. I
281301.4930 0.0713 -5.3057 3 144.5795225 89502 303371819 361719 a-Alanine, conf. I
281332.9918 0.0724 -5.3056 3 144.5781225 89502 303371820 361720 a-Alanine, conf. I
281342.8254 0.0729 -4.3832 3 144.5781225 89502 303371819 361720 a-Alanine, conf. I
281352.6759 0.0657 -4.3262 3 140.4397219 89502 303361918 351817 a-Alanine, conf. I
281352.9528 0.0657 -5.2998 3 140.4397219 89502 303361917 351817 a-Alanine, conf. I
281354.0220 0.0657 -5.2998 3 140.4396219 89502 303361918 351818 a-Alanine, conf. I
281354.2989 0.0658 -4.3262 3 140.4396219 89502 303361917 351818 a-Alanine, conf. I
281381.1021 4.0067 -5.5039 3 525.8924429 89502 303712942 703041 a-Alanine, conf. I
281397.6026 0.7240 -4.7902 3 259.4750303 89502 303502129 492128 a-Alanine, conf. I
281401.7572 1.3444 -4.6543 3 221.9386285 89502 303471731 461630 a-Alanine, conf. I
281417.1366 1.0080 -5.7282 3 897.8632495 89502 303826121 826022 a-Alanine, conf. I
281417.1366 1.0080 -5.7282 3 897.8632495 89502 303826122 826023 a-Alanine, conf. I
281509.0598 0.4341 -4.9029 3 289.4720309 89502 303512725 502724 a-Alanine, conf. I
281509.0606 0.4341 -4.9029 3 289.4720309 89502 303512724 502723 a-Alanine, conf. I
281515.4317 6.0216 -5.3426 3 435.3080393 89502 303652540 642639 a-Alanine, conf. I
281559.0201 0.3201 -5.8796 3 78.2621171 89502 303281316 271017 a-Alanine, conf. I
281567.7888 0.9802 -5.7154 3 883.0087489 89502 303816120 816021 a-Alanine, conf. I
281567.7888 0.9802 -5.7154 3 883.0087489 89502 303816121 816022 a-Alanine, conf. I
281583.9069 1.1168 -4.7532 3 245.2371297 89502 303491930 481929 a-Alanine, conf. I
281598.1423 0.2932 -4.7022 3 287.4889363 89502 30360 357 59 356 a-Alanine, conf. I
281598.1423 0.2932 -4.0972 3 287.4889363 89502 30360 357 59 456 a-Alanine, conf. I
281598.1423 0.2932 -4.0972 3 287.4889363 89502 30360 457 59 356 a-Alanine, conf. I
281598.1423 0.2932 -4.7022 3 287.4889363 89502 30360 457 59 456 a-Alanine, conf. I
281626.1960 3.8266 -5.7632 3 649.6956471 89502 303783544 773641 a-Alanine, conf. I
281626.5469 3.8269 -5.7632 3 649.6956471 89502 303783543 773642 a-Alanine, conf. I
281677.1971 4.3283 -5.8112 3 833.5980603 89502 303A0 892 A0 793 a-Alanine, conf. I
281677.1971 4.3283 -5.8112 3 833.5980603 89502 303A0 992 A0 893 a-Alanine, conf. I
281712.5315 0.9587 -5.7040 3 868.3365483 89502 303806119 806020 a-Alanine, conf. I
281712.5315 0.9587 -5.7040 3 868.3365483 89502 303806120 806021 a-Alanine, conf. I
281744.1028 0.2240 -4.3587 3 268.3477321 89502 303531340 521439 a-Alanine, conf. I
281744.4301 0.2240 -4.7531 3 268.3477321 89502 303531440 521439 a-Alanine, conf. I
281744.8532 0.2240 -4.7531 3 268.3477321 89502 303531340 521339 a-Alanine, conf. I
281745.1805 0.2240 -4.3587 3 268.3477321 89502 303531440 521339 a-Alanine, conf. I
281783.5827 0.0994 -5.2990 3 169.8454249 89502 303411625 401525 a-Alanine, conf. I
281787.0279 0.3463 -4.7534 3 251.8996303 89502 303501833 491832 a-Alanine, conf. I
281851.5154 0.9437 -5.6940 3 853.8464477 89502 303796118 796019 a-Alanine, conf. I
281851.5154 0.9437 -5.6940 3 853.8464477 89502 303796119 796020 a-Alanine, conf. I
281959.0898 0.0497 -5.2267 3 126.5502177 89502 3032927 2 2826 2 a-Alanine, conf. I
281959.0898 0.0497 -4.0742 3 126.5502177 89502 3032927 2 2826 3 a-Alanine, conf. I
281959.0898 0.0497 -4.0742 3 126.5502177 89502 3032927 3 2826 2 a-Alanine, conf. I
281959.0898 0.0497 -5.2267 3 126.5502177 89502 3032927 3 2826 3 a-Alanine, conf. I
281984.8893 0.9351 -5.6855 3 839.5386471 89502 303786117 786018 a-Alanine, conf. I
281984.8893 0.9351 -5.6855 3 839.5386471 89502 303786118 786019 a-Alanine, conf. I
282007.4785 0.2225 -4.7221 3 284.9603351 89502 30358 652 57 651 a-Alanine, conf. I
282007.4785 0.2225 -4.1570 3 284.9603351 89502 30358 652 57 751 a-Alanine, conf. I
282007.4785 0.2225 -4.1570 3 284.9603351 89502 30358 752 57 651 a-Alanine, conf. I
282007.4785 0.2225 -4.7221 3 284.9603351 89502 30358 752 57 751 a-Alanine, conf. I
282057.8704 0.3003 -5.9878 3 129.2245219 89502 303361422 351223 a-Alanine, conf. I
282101.7175 0.4669 -4.8807 3 285.5300309 89502 303512626 502625 a-Alanine, conf. I
282101.7289 0.4669 -4.8807 3 285.5300309 89502 303512625 502624 a-Alanine, conf. I
282112.7991 0.9327 -5.6787 3 825.4128465 89502 303776116 776017 a-Alanine, conf. I
282112.7991 0.9327 -5.6787 3 825.4128465 89502 303776117 776018 a-Alanine, conf. I
282149.8217 0.1717 -5.4126 3 95.0791189 89502 303311319 301020 a-Alanine, conf. I
282184.7953 4.0873 -5.8535 3 901.0357621 89502 303A31093 A3 994 a-Alanine, conf. I
282184.7953 4.0873 -5.8535 3 901.0357621 89502 303A31193 A31094 a-Alanine, conf. I
282206.1505 4.8495 -5.8254 3 743.6653579 89502 30396 591 96 492 a-Alanine, conf. I
282206.1505 4.8495 -5.8254 3 743.6653579 89502 30396 691 96 592 a-Alanine, conf. I
282235.3890 0.9361 -5.6738 3 811.4692459 89502 303766115 766016 a-Alanine, conf. I
282235.3890 0.9361 -5.6738 3 811.4692459 89502 303766116 766017 a-Alanine, conf. I
282280.8418 1.1616 -4.8719 3 136.3879225 89502 303371423 361324 a-Alanine, conf. I
282287.6770 3.8289 -5.7175 3 630.3951465 89502 303773444 763541 a-Alanine, conf. I
282289.1475 3.8303 -5.7175 3 630.3951465 89502 303773443 763542 a-Alanine, conf. I
282304.1749 0.1722 -5.5167 3 128.3483231 89502 30338 731 37 631 a-Alanine, conf. I
282304.1881 0.1722 -5.5167 3 128.3483231 89502 30338 831 37 731 a-Alanine, conf. I
282334.9654 0.6425 -4.7732 3 256.7607303 89502 303502031 492030 a-Alanine, conf. I
282345.1578 0.1506 -5.6453 3 73.1183177 89502 30329 623 28 524 a-Alanine, conf. I
282346.9296 0.1266 -6.0163 3 63.7002171 89502 30328 424 27 325 a-Alanine, conf. I
282346.9502 0.1266 -6.0163 3 63.7002171 89502 30328 524 27 225 a-Alanine, conf. I
282348.4477 0.1504 -5.6453 3 73.1183177 89502 30329 723 28 424 a-Alanine, conf. I
282352.8005 0.9451 -5.6709 3 797.7076453 89502 303756114 756015 a-Alanine, conf. I
282352.8005 0.9451 -5.6709 3 797.7076453 89502 303756115 756016 a-Alanine, conf. I
282353.7375 0.3835 -4.5474 3 258.7851309 89502 303511635 501734 a-Alanine, conf. I
282372.5876 5.3964 -6.0415 3 657.3629555 89502 30392 290 92 191 a-Alanine, conf. I
282372.5876 5.3964 -6.0415 3 657.3629555 89502 30392 390 92 291 a-Alanine, conf. I
282381.5334 0.4583 -5.9885 3 428.1697315 89502 3035249 3 5149 2 a-Alanine, conf. I
282381.5334 0.4583 -5.9885 3 428.1697315 89502 3035249 4 5149 3 a-Alanine, conf. I
282390.2792 0.9941 -5.4245 3 460.0874405 89502 303672543 662640 a-Alanine, conf. I
282393.1640 0.2236 -4.7385 3 280.5239339 89502 30356 947 55 946 a-Alanine, conf. I
282393.1640 0.2236 -4.2272 3 280.5239339 89502 30356 947 551046 a-Alanine, conf. I
282393.1640 0.2236 -4.2272 3 280.5239339 89502 303561047 55 946 a-Alanine, conf. I
282393.1640 0.2236 -4.7385 3 280.5239339 89502 303561047 551046 a-Alanine, conf. I
282458.3993 0.4281 -5.8519 3 420.5899315 89502 3035248 4 5148 3 a-Alanine, conf. I
282458.3993 0.4281 -5.8519 3 420.5899315 89502 3035248 5 5148 4 a-Alanine, conf. I
282465.1733 0.9592 -5.6703 3 784.1281447 89502 303746113 746014 a-Alanine, conf. I
282465.1733 0.9592 -5.6703 3 784.1281447 89502 303746114 746015 a-Alanine, conf. I
282500.5546 3.9308 -5.9180 3 970.4749639 89502 303A61294 A61195 a-Alanine, conf. I
282500.5546 3.9308 -5.9180 3 970.4749639 89502 303A61394 A61295 a-Alanine, conf. I
282541.3220 0.3997 -5.7436 3 413.1690315 89502 3035247 5 5147 4 a-Alanine, conf. I
282541.3220 0.3997 -5.7436 3 413.1690315 89502 3035247 6 5147 5 a-Alanine, conf. I
282572.6448 0.9777 -5.6723 3 770.7306441 89502 303736112 736013 a-Alanine, conf. I
282572.6448 0.9777 -5.6723 3 770.7306441 89502 303736113 736014 a-Alanine, conf. I
282611.1813 0.2843 -6.0194 3 73.0143165 89502 303271315 261016 a-Alanine, conf. I
282614.6804 3.9092 -5.9993 3 1041.9002657 89502 303A91495 A91396 a-Alanine, conf. I
282614.6804 3.9092 -5.9993 3 1041.9002657 89502 303A91595 A91496 a-Alanine, conf. I
282630.8274 0.3732 -5.6535 3 405.9072315 89502 3035246 6 5146 5 a-Alanine, conf. I
282630.8274 0.3732 -5.6535 3 405.9072315 89502 3035246 7 5146 6 a-Alanine, conf. I
282658.4805 3.6434 -5.4660 3 508.8693423 89502 303702843 692940 a-Alanine, conf. I
282675.3504 1.0004 -5.6771 3 757.5151435 89502 303726111 726012 a-Alanine, conf. I
282675.3504 1.0004 -5.6771 3 757.5151435 89502 303726112 726013 a-Alanine, conf. I
282688.8151 0.0410 -5.2359 3 127.8370183 89502 3033026 4 2925 4 a-Alanine, conf. I
282688.8151 0.0410 -4.0971 3 127.8370183 89502 3033026 4 2925 5 a-Alanine, conf. I
282688.8151 0.0410 -4.0971 3 127.8370183 89502 3033026 5 2925 4 a-Alanine, conf. I
282688.8151 0.0410 -5.2359 3 127.8370183 89502 3033026 5 2925 5 a-Alanine, conf. I
282727.5039 0.3489 -5.5759 3 398.8048315 89502 3035245 7 5145 6 a-Alanine, conf. I
282727.5039 0.3489 -5.5759 3 398.8048315 89502 3035245 8 5145 7 a-Alanine, conf. I
282773.4234 1.0265 -5.6853 3 744.4816429 89502 303716110 716011 a-Alanine, conf. I
282773.4234 1.0265 -5.6853 3 744.4816429 89502 303716111 716012 a-Alanine, conf. I
282793.4249 0.5039 -4.8594 3 281.7767309 89502 303512527 502526 a-Alanine, conf. I
282793.5676 0.5040 -4.8594 3 281.7767309 89502 303512526 502525 a-Alanine, conf. I
282831.3279 0.3110 -5.2032 3 99.3622195 89502 303321221 31 922 a-Alanine, conf. I
282832.0121 0.3270 -5.5076 3 391.8620315 89502 3035244 8 5144 7 a-Alanine, conf. I
282832.0121 0.3270 -5.5076 3 391.8620315 89502 3035244 9 5144 8 a-Alanine, conf. I
282843.2864 0.5485 -4.5634 3 249.3505303 89502 303501734 491633 a-Alanine, conf. I
282866.9952 1.0557 -5.6975 3 731.6300423 89502 3037061 9 706010 a-Alanine, conf. I
282866.9952 1.0557 -5.6975 3 731.6300423 89502 303706110 706011 a-Alanine, conf. I
282874.2026 0.3765 -5.3779 3 145.8577237 89502 303391128 381028 a-Alanine, conf. I
282890.3471 0.5294 -4.7593 3 254.2733303 89502 303501932 491931 a-Alanine, conf. I
282919.6020 0.7132 -5.3383 3 157.5110243 89502 303401327 391227 a-Alanine, conf. I
282934.7646 0.3512 -4.6943 3 291.0275369 89502 30361 259 60 258 a-Alanine, conf. I
282934.7646 0.3512 -4.0781 3 291.0275369 89502 30361 259 60 358 a-Alanine, conf. I
282934.7646 0.3512 -4.0781 3 291.0275369 89502 30361 359 60 258 a-Alanine, conf. I
282934.7646 0.3512 -4.6943 3 291.0275369 89502 30361 359 60 358 a-Alanine, conf. I
282937.2360 0.2284 -4.3170 3 274.0875327 89502 303541242 531341 a-Alanine, conf. I
282937.2461 0.2284 -4.7499 3 274.0875327 89502 303541342 531341 a-Alanine, conf. I
282937.2602 0.2284 -4.7499 3 274.0875327 89502 303541242 531241 a-Alanine, conf. I
282937.2703 0.2284 -4.3170 3 274.0875327 89502 303541342 531241 a-Alanine, conf. I
282945.0965 0.3080 -5.4465 3 385.0793315 89502 3035243 9 5143 8 a-Alanine, conf. I
282945.0965 0.3080 -5.4465 3 385.0793315 89502 303524310 5143 9 a-Alanine, conf. I
282956.1953 1.0875 -5.7143 3 718.9602417 89502 3036961 8 6960 9 a-Alanine, conf. I
282956.1953 1.0875 -5.7143 3 718.9602417 89502 3036961 9 696010 a-Alanine, conf. I
282978.2762 4.5498 -5.8125 3 808.4029597 89502 30399 792 99 693 a-Alanine, conf. I
282978.2762 4.5498 -5.8125 3 808.4029597 89502 30399 892 99 793 a-Alanine, conf. I
283022.3382 0.3616 -5.3775 3 145.8592237 89502 303391228 381128 a-Alanine, conf. I
283041.1510 1.1215 -5.7368 3 706.4724411 89502 3036861 7 6860 8 a-Alanine, conf. I
283041.1510 1.1215 -5.7368 3 706.4724411 89502 3036861 8 6860 9 a-Alanine, conf. I
283067.5988 0.2922 -5.3912 3 378.4569315 89502 303524210 5142 9 a-Alanine, conf. I
283067.5988 0.2922 -5.3912 3 378.4569315 89502 303524211 514210 a-Alanine, conf. I
283111.9423 3.8460 -5.6724 3 611.4414459 89502 303763344 753441 a-Alanine, conf. I
283117.8644 3.8512 -5.6724 3 611.4414459 89502 303763343 753442 a-Alanine, conf. I
283121.9880 1.1572 -5.7665 3 694.1663405 89502 3036761 6 6760 7 a-Alanine, conf. I
283121.9880 1.1572 -5.7665 3 694.1663405 89502 3036761 7 6760 8 a-Alanine, conf. I
283198.8300 1.1944 -5.8055 3 682.0421399 89502 3036661 5 6660 6 a-Alanine, conf. I
283198.8300 1.1944 -5.8055 3 682.0421399 89502 3036661 6 6660 7 a-Alanine, conf. I
283200.4743 0.2800 -5.3406 3 371.9954315 89502 303524111 514110 a-Alanine, conf. I
283200.4743 0.2800 -5.3406 3 371.9954315 89502 303524112 514111 a-Alanine, conf. I
283271.7988 1.2327 -5.8570 3 670.0996393 89502 3036561 4 6560 5 a-Alanine, conf. I
283271.7988 1.2327 -5.8570 3 670.0996393 89502 3036561 5 6560 6 a-Alanine, conf. I
283341.0146 1.2720 -5.9265 3 658.3389387 89502 3036461 3 6460 4 a-Alanine, conf. I
283341.0146 1.2720 -5.9265 3 658.3389387 89502 3036461 4 6460 5 a-Alanine, conf. I
283344.8122 0.2717 -5.2940 3 365.6951315 89502 303524012 514011 a-Alanine, conf. I
283344.8122 0.2717 -5.2940 3 365.6951315 89502 303524013 514012 a-Alanine, conf. I
283375.2283 0.2380 -4.7152 3 289.1302357 89502 30359 554 58 553 a-Alanine, conf. I
283375.2283 0.2380 -4.1352 3 289.1302357 89502 30359 554 58 653 a-Alanine, conf. I
283375.2283 0.2380 -4.1352 3 289.1302357 89502 30359 654 58 553 a-Alanine, conf. I
283375.2283 0.2380 -4.7152 3 289.1302357 89502 30359 654 58 653 a-Alanine, conf. I
283390.7816 5.0908 -5.8677 3 719.3706573 89502 30395 491 95 392 a-Alanine, conf. I
283390.7816 5.0908 -5.8677 3 719.3706573 89502 30395 591 95 492 a-Alanine, conf. I
283406.5955 1.3119 -6.0244 3 646.7599381 89502 3036361 2 6360 3 a-Alanine, conf. I
283406.5955 1.3119 -6.0244 3 646.7599381 89502 3036361 3 6360 4 a-Alanine, conf. I
283406.9996 0.0386 -5.2448 3 129.4772189 89502 3033125 6 3024 6 a-Alanine, conf. I
283406.9996 0.0386 -4.1214 3 129.4772189 89502 3033125 6 3024 7 a-Alanine, conf. I
283406.9996 0.0386 -4.1214 3 129.4772189 89502 3033125 7 3024 6 a-Alanine, conf. I
283406.9996 0.0386 -5.2448 3 129.4772189 89502 3033125 7 3024 7 a-Alanine, conf. I
283434.7967 1.4742 -4.6727 3 213.0371279 89502 303461730 451629 a-Alanine, conf. I
283488.7728 0.2310 -4.7515 3 258.7851309 89502 303511735 501734 a-Alanine, conf. I
283501.8600 0.2675 -5.2507 3 359.5567315 89502 303523913 513912 a-Alanine, conf. I
283501.8600 0.2675 -5.2507 3 359.5567315 89502 303523914 513913 a-Alanine, conf. I
283523.4006 0.1584 -5.5675 3 125.2938231 89502 30338 632 37 532 a-Alanine, conf. I
283523.4013 0.1584 -5.5675 3 125.2938231 89502 30338 732 37 632 a-Alanine, conf. I
283571.9652 4.2787 -5.8411 3 875.1633615 89502 303A2 993 A2 894 a-Alanine, conf. I
283571.9652 4.2787 -5.8411 3 875.1633615 89502 303A21093 A2 994 a-Alanine, conf. I
283613.8046 0.5468 -4.8388 3 278.2193309 89502 303512428 502427 a-Alanine, conf. I
283615.3610 0.5473 -4.8387 3 278.2193309 89502 303512427 502426 a-Alanine, conf. I
283617.8729 3.6240 -4.9053 3 295.6189327 89502 303541935 532034 a-Alanine, conf. I
283624.4125 0.3672 -5.3146 3 89.9016189 89502 30331 922 30 823 a-Alanine, conf. I
283625.8474 1.8843 -6.0281 3 1134.2692579 89502 303966234 966135 a-Alanine, conf. I
283625.8474 1.8843 -6.0281 3 1134.2692579 89502 303966235 966136 a-Alanine, conf. I
283643.9569 0.7762 -5.1778 3 105.2218201 89502 303331122 321023 a-Alanine, conf. I
283673.0540 0.2674 -5.2103 3 353.5806315 89502 303523814 513813 a-Alanine, conf. I
283673.0540 0.2674 -5.2103 3 353.5806315 89502 303523815 513814 a-Alanine, conf. I
283758.1068 0.2241 -4.7327 3 285.3404345 89502 30357 849 56 848 a-Alanine, conf. I
283758.1068 0.2241 -4.2006 3 285.3404345 89502 30357 849 56 948 a-Alanine, conf. I
283758.1068 0.2241 -4.2006 3 285.3404345 89502 30357 949 56 848 a-Alanine, conf. I
283758.1068 0.2241 -4.7327 3 285.3404345 89502 30357 949 56 948 a-Alanine, conf. I
283860.0570 0.2714 -5.1725 3 347.7677315 89502 303523715 513714 a-Alanine, conf. I
283860.0570 0.2714 -5.1725 3 347.7677315 89502 303523716 513715 a-Alanine, conf. I
283861.8081 1.7936 -6.0027 3 1116.8688573 89502 303956233 956134 a-Alanine, conf. I
283861.8081 1.7936 -6.0027 3 1116.8688573 89502 303956234 956135 a-Alanine, conf. I
283893.1391 0.2020 -4.7262 3 241.8978297 89502 303491732 481731 a-Alanine, conf. I
283978.5986 4.0698 -5.8961 3 943.9322633 89502 303A51194 A51095 a-Alanine, conf. I
283978.5986 4.0698 -5.8961 3 943.9322633 89502 303A51294 A51195 a-Alanine, conf. I
284064.8063 0.2793 -5.1370 3 342.1185315 89502 303523616 513615 a-Alanine, conf. I
284064.8063 0.2793 -5.1370 3 342.1185315 89502 303523617 513616 a-Alanine, conf. I
284089.9474 1.7067 -5.9781 3 1099.6508567 89502 303946232 946133 a-Alanine, conf. I
284089.9474 1.7067 -5.9781 3 1099.6508567 89502 303946233 946134 a-Alanine, conf. I
284105.8876 0.0410 -5.2533 3 131.4749195 89502 3033224 8 3123 8 a-Alanine, conf. I
284105.8876 0.0410 -4.1475 3 131.4749195 89502 3033224 8 3123 9 a-Alanine, conf. I
284105.8876 0.0410 -4.1475 3 131.4749195 89502 3033224 9 3123 8 a-Alanine, conf. I
284105.8876 0.0410 -5.2533 3 131.4749195 89502 3033224 9 3123 9 a-Alanine, conf. I
284134.2817 3.8799 -5.6279 3 592.8366453 89502 303753244 743341 a-Alanine, conf. I
284157.1258 3.8985 -5.6279 3 592.8366453 89502 303753243 743342 a-Alanine, conf. I
284157.6163 0.2279 -4.4557 3 265.4059315 89502 303521537 511636 a-Alanine, conf. I
284188.8293 3.9689 -5.9702 3 1014.6946651 89502 303A81395 A81296 a-Alanine, conf. I
284188.8293 3.9689 -5.9702 3 1014.6946651 89502 303A81495 A81396 a-Alanine, conf. I
284204.2463 0.1298 -4.4830 3 156.3719237 89502 303391723 381622 a-Alanine, conf. I
284212.9139 0.2317 -4.2813 3 279.5920333 89502 303551144 541243 a-Alanine, conf. I
284212.9142 0.2317 -4.7459 3 279.5920333 89502 303551244 541243 a-Alanine, conf. I
284212.9146 0.2317 -4.7459 3 279.5920333 89502 303551144 541143 a-Alanine, conf. I
284212.9148 0.2317 -4.2813 3 279.5920333 89502 303551244 541143 a-Alanine, conf. I
284232.8124 4.5086 -5.4606 3 508.8655423 89502 303702842 692941 a-Alanine, conf. I
284234.6045 0.2250 -4.7527 3 265.4059315 89502 303521637 511636 a-Alanine, conf. I
284242.4168 4.7828 -5.8233 3 783.4211591 89502 30398 692 98 593 a-Alanine, conf. I
284242.4168 4.7828 -5.8233 3 783.4211591 89502 30398 792 98 693 a-Alanine, conf. I
284255.0852 0.4256 -4.6863 3 294.3714375 89502 30362 161 61 160 a-Alanine, conf. I
284255.0852 0.4256 -4.0598 3 294.3714375 89502 30362 161 61 260 a-Alanine, conf. I
284255.0852 0.4256 -4.0598 3 294.3714375 89502 30362 261 61 160 a-Alanine, conf. I
284255.0852 0.4256 -4.6863 3 294.3714375 89502 30362 261 61 260 a-Alanine, conf. I
284265.2622 3.3273 -5.4319 3 492.2141417 89502 303692743 682840 a-Alanine, conf. I
284275.9200 0.4602 -4.5884 3 154.2725237 89502 303391623 381524 a-Alanine, conf. I
284289.5746 0.2907 -5.1035 3 336.6341315 89502 303523517 513516 a-Alanine, conf. I
284289.5746 0.2907 -5.1035 3 336.6341315 89502 303523518 513517 a-Alanine, conf. I
284305.0848 0.9929 -4.7668 3 256.8356303 89502 303502030 492029 a-Alanine, conf. I
284310.4438 1.6235 -5.9542 3 1082.6151561 89502 303936231 936132 a-Alanine, conf. I
284310.4438 1.6235 -5.9542 3 1082.6151561 89502 303936232 936133 a-Alanine, conf. I
284315.5867 0.2239 -4.7524 3 265.4006315 89502 303521537 511536 a-Alanine, conf. I
284392.5749 0.2239 -4.4549 3 265.4006315 89502 303521637 511536 a-Alanine, conf. I
284431.9892 6.2669 -5.6531 3 499.0616423 89502 303702546 692643 a-Alanine, conf. I
284470.6445 0.2281 -4.7481 3 258.7145309 89502 303511635 501634 a-Alanine, conf. I
284518.7608 0.3241 -5.3128 3 89.9009189 89502 303311022 30 723 a-Alanine, conf. I
284523.4723 1.5444 -5.9311 3 1065.7617555 89502 303926230 926131 a-Alanine, conf. I
284523.4723 1.5444 -5.9311 3 1065.7617555 89502 303926231 926132 a-Alanine, conf. I
284537.0499 0.3052 -5.0719 3 331.3155315 89502 303523418 513417 a-Alanine, conf. I
284537.0499 0.3052 -5.0719 3 331.3155315 89502 303523419 513418 a-Alanine, conf. I
284541.7637 5.3354 -5.9386 3 695.2936567 89502 30394 391 94 292 a-Alanine, conf. I
284541.7637 5.3354 -5.9386 3 695.2936567 89502 30394 491 94 392 a-Alanine, conf. I
284605.1023 0.5977 -4.8187 3 274.8676309 89502 303512329 502328 a-Alanine, conf. I
284607.8239 0.1628 -5.6307 3 122.0990231 89502 30338 533 37 433 a-Alanine, conf. I
284607.8239 0.1628 -5.6307 3 122.0990231 89502 30338 633 37 533 a-Alanine, conf. I
284619.6596 0.6017 -4.8187 3 274.8680309 89502 303512328 502327 a-Alanine, conf. I
284713.0979 0.0893 -5.3033 3 156.3719237 89502 303391722 381622 a-Alanine, conf. I
284724.6081 0.9317 -5.3189 3 166.9482249 89502 303411427 401327 a-Alanine, conf. I
284729.2049 1.4694 -5.9088 3 1049.0907549 89502 303916229 916130 a-Alanine, conf. I
284729.2049 1.4694 -5.9088 3 1049.0907549 89502 303916230 916131 a-Alanine, conf. I
284733.9375 0.2663 -4.7081 3 293.1038363 89502 30360 456 59 455 a-Alanine, conf. I
284733.9375 0.2663 -4.1146 3 293.1038363 89502 30360 456 59 555 a-Alanine, conf. I
284733.9375 0.2663 -4.1146 3 293.1038363 89502 30360 556 59 455 a-Alanine, conf. I
284733.9375 0.2663 -4.7081 3 293.1038363 89502 30360 556 59 555 a-Alanine, conf. I
284773.6540 0.0459 -5.2614 3 133.8356201 89502 303332310 322210 a-Alanine, conf. I
284773.6540 0.0459 -4.1758 3 133.8356201 89502 303332310 322211 a-Alanine, conf. I
284773.6540 0.0459 -4.1758 3 133.8356201 89502 303332311 322210 a-Alanine, conf. I
284773.6540 0.0459 -5.2614 3 133.8356201 89502 303332311 322211 a-Alanine, conf. I
284796.5289 2.4810 -5.4116 3 475.9434411 89502 303682643 672740 a-Alanine, conf. I
284810.4394 0.3226 -5.0419 3 326.1639315 89502 303523319 513318 a-Alanine, conf. I
284810.4394 0.3226 -5.0419 3 326.1639315 89502 303523320 513319 a-Alanine, conf. I
284873.8579 5.7746 -5.3789 3 463.3169405 89502 303672641 662740 a-Alanine, conf. I
284919.8164 4.4905 -5.8345 3 849.5010609 89502 303A1 893 A1 794 a-Alanine, conf. I
284919.8164 4.4905 -5.8345 3 849.5010609 89502 303A1 993 A1 894 a-Alanine, conf. I
284927.8107 1.3987 -5.8874 3 1032.6019543 89502 303906228 906129 a-Alanine, conf. I
284927.8107 1.3987 -5.8874 3 1032.6019543 89502 303906229 906130 a-Alanine, conf. I
284928.2025 0.3702 -5.3162 3 159.6355243 89502 303401526 391426 a-Alanine, conf. I
285111.4682 0.2302 -4.3951 3 271.7154321 89502 303531439 521538 a-Alanine, conf. I
285113.6094 0.3425 -5.0135 3 321.1806315 89502 303523220 513219 a-Alanine, conf. I
285113.6094 0.3425 -5.0135 3 321.1806315 89502 303523221 513220 a-Alanine, conf. I
285115.2406 0.2302 -4.7523 3 271.7154321 89502 303531539 521538 a-Alanine, conf. I
285119.4559 1.3326 -5.8668 3 1016.2953537 89502 303896227 896128 a-Alanine, conf. I
285119.4559 1.3326 -5.8668 3 1016.2953537 89502 303896228 896129 a-Alanine, conf. I
285119.7465 0.2302 -4.7523 3 271.7151321 89502 303531439 521438 a-Alanine, conf. I
285123.5190 0.2302 -4.3950 3 271.7151321 89502 303531539 521438 a-Alanine, conf. I
285129.2413 0.2265 -4.7267 3 289.9537351 89502 30358 751 57 750 a-Alanine, conf. I
285129.2413 0.2265 -4.1763 3 289.9537351 89502 30358 751 57 850 a-Alanine, conf. I
285129.2413 0.2265 -4.1763 3 289.9537351 89502 30358 851 57 750 a-Alanine, conf. I
285129.2413 0.2265 -4.7267 3 289.9537351 89502 30358 851 57 850 a-Alanine, conf. I
285138.4458 0.5312 -5.2401 3 97.4656195 89502 303321022 31 923 a-Alanine, conf. I
285187.2696 0.3046 -5.4011 3 143.3293237 89502 303391029 38 929 a-Alanine, conf. I
285203.1472 0.3029 -5.4010 3 143.3295237 89502 303391129 381029 a-Alanine, conf. I
285304.3036 1.2714 -5.8472 3 1000.1710531 89502 303886226 886127 a-Alanine, conf. I
285304.3036 1.2714 -5.8472 3 1000.1710531 89502 303886227 886128 a-Alanine, conf. I
285391.9754 0.0517 -5.2691 3 136.5666207 89502 303342212 332112 a-Alanine, conf. I
285391.9754 0.0517 -4.2071 3 136.5666207 89502 303342212 332113 a-Alanine, conf. I
285391.9754 0.0517 -4.2071 3 136.5666207 89502 303342213 332112 a-Alanine, conf. I
285391.9754 0.0517 -5.2691 3 136.5666207 89502 303342213 332113 a-Alanine, conf. I
285394.7108 3.9292 -5.5841 3 574.5830447 89502 303743144 733241 a-Alanine, conf. I
285414.7179 4.2415 -5.8783 3 917.5963627 89502 303A41094 A4 995 a-Alanine, conf. I
285414.7179 4.2415 -5.8783 3 917.5963627 89502 303A41194 A41095 a-Alanine, conf. I
285451.2772 0.3647 -4.9865 3 316.3674315 89502 303523121 513120 a-Alanine, conf. I
285451.2772 0.3647 -4.9865 3 316.3674315 89502 303523122 513121 a-Alanine, conf. I
285470.8257 5.0238 -5.8469 3 758.6541585 89502 30397 592 97 493 a-Alanine, conf. I
285470.8257 5.0238 -5.8469 3 758.6541585 89502 30397 692 97 593 a-Alanine, conf. I
285478.7659 3.9920 -5.5838 3 574.5829447 89502 303743143 733242 a-Alanine, conf. I
285482.5147 1.2152 -5.8285 3 984.2288525 89502 303876225 876126 a-Alanine, conf. I
285482.5147 1.2152 -5.8285 3 984.2288525 89502 303876226 876127 a-Alanine, conf. I
285536.7817 0.2335 -4.7413 3 284.8744339 89502 303561046 551045 a-Alanine, conf. I
285536.7817 0.2335 -4.2500 3 284.8744339 89502 303561046 551145 a-Alanine, conf. I
285536.7817 0.2335 -4.2500 3 284.8744339 89502 303561146 551045 a-Alanine, conf. I
285536.7817 0.2335 -4.7413 3 284.8744339 89502 303561146 551145 a-Alanine, conf. I
285557.3530 0.5161 -4.6782 3 297.5203381 89502 30363 063 62 062 a-Alanine, conf. I
285557.3530 0.5161 -4.0423 3 297.5203381 89502 30363 063 62 162 a-Alanine, conf. I
285557.3530 0.5161 -4.0423 3 297.5203381 89502 30363 163 62 062 a-Alanine, conf. I
285557.3530 0.5161 -4.6782 3 297.5203381 89502 30363 163 62 162 a-Alanine, conf. I
285582.7481 0.1835 -5.7118 3 118.7681231 89502 30338 434 37 334 a-Alanine, conf. I
285582.7481 0.1835 -5.7118 3 118.7681231 89502 30338 534 37 434 a-Alanine, conf. I
285605.6798 0.3739 -4.5358 3 258.7145309 89502 303511735 501634 a-Alanine, conf. I
285654.2470 1.1645 -5.8108 3 968.4688519 89502 303866224 866125 a-Alanine, conf. I
285654.2470 1.1645 -5.8108 3 968.4688519 89502 303866225 866126 a-Alanine, conf. I
285713.8427 1.4640 -5.4719 3 472.8192411 89502 303682544 672641 a-Alanine, conf. I
285718.1855 4.0754 -5.9442 3 987.6922645 89502 303A71295 A71196 a-Alanine, conf. I
285718.1855 4.0754 -5.9442 3 987.6922645 89502 303A71395 A71296 a-Alanine, conf. I
285763.2508 0.0766 -5.2941 3 100.9668195 89502 303321320 311021 a-Alanine, conf. I
285812.7835 0.6549 -4.7991 3 271.7351309 89502 303512230 502229 a-Alanine, conf. I
285818.1173 0.8477 -4.7234 3 243.4115297 89502 303491831 481830 a-Alanine, conf. I
285819.6561 1.1195 -5.7942 3 952.8910513 89502 303856223 856124 a-Alanine, conf. I
285819.6561 1.1195 -5.7942 3 952.8910513 89502 303856224 856125 a-Alanine, conf. I
285820.5070 4.0423 -6.0269 3 1059.7735663 89502 303B01496 B01397 a-Alanine, conf. I
285820.5070 4.0423 -6.0269 3 1059.7735663 89502 303B01596 B01497 a-Alanine, conf. I
285829.2787 0.3891 -4.9607 3 311.7262315 89502 303523022 513021 a-Alanine, conf. I
285829.2787 0.3891 -4.9607 3 311.7262315 89502 303523023 513022 a-Alanine, conf. I
285848.2784 0.1971 -5.2851 3 177.8278255 89502 303421626 411526 a-Alanine, conf. I
285874.6640 0.0964 -5.3004 3 156.3162237 89502 303391723 381623 a-Alanine, conf. I
285927.0983 0.6834 -4.7987 3 271.7383309 89502 303512229 502228 a-Alanine, conf. I
285931.6476 0.0580 -4.2423 3 139.6778213 89502 303352115 342014 a-Alanine, conf. I
285931.6478 0.0580 -5.2763 3 139.6778213 89502 303352114 342014 a-Alanine, conf. I
285931.6491 0.0580 -5.2763 3 139.6778213 89502 303352115 342015 a-Alanine, conf. I
285931.6493 0.0580 -4.2423 3 139.6778213 89502 303352114 342015 a-Alanine, conf. I
285978.8949 1.0804 -5.7786 3 937.4953507 89502 303846222 846123 a-Alanine, conf. I
285978.8949 1.0804 -5.7786 3 937.4953507 89502 303846223 846124 a-Alanine, conf. I
286035.9499 0.4521 -5.3307 3 157.5593243 89502 303401427 391327 a-Alanine, conf. I
286080.4860 0.3102 -4.7008 3 296.8820369 89502 30361 358 60 357 a-Alanine, conf. I
286080.4860 0.3102 -4.0952 3 296.8820369 89502 30361 358 60 457 a-Alanine, conf. I
286080.4860 0.3102 -4.0952 3 296.8820369 89502 30361 458 60 357 a-Alanine, conf. I
286080.4860 0.3102 -4.7008 3 296.8820369 89502 30361 458 60 457 a-Alanine, conf. I
286092.3776 1.4486 -4.6744 3 204.2863273 89502 303451729 441628 a-Alanine, conf. I
286132.1139 1.0476 -5.7643 3 922.2818501 89502 303836221 836122 a-Alanine, conf. I
286132.1139 1.0476 -5.7643 3 922.2818501 89502 303836222 836123 a-Alanine, conf. I
286201.4420 0.2353 -4.3477 3 277.7457327 89502 303541341 531440 a-Alanine, conf. I
286201.5833 0.2353 -4.7504 3 277.7457327 89502 303541441 531440 a-Alanine, conf. I
286201.7693 0.2353 -4.7504 3 277.7457327 89502 303541341 531340 a-Alanine, conf. I
286201.9106 0.2353 -4.3477 3 277.7457327 89502 303541441 531340 a-Alanine, conf. I
286229.6731 4.7176 -5.8354 3 824.0504603 89502 303A0 793 A0 694 a-Alanine, conf. I
286229.6731 4.7176 -5.8354 3 824.0504603 89502 303A0 893 A0 794 a-Alanine, conf. I
286254.9552 0.4159 -4.9361 3 307.2595315 89502 303522923 512922 a-Alanine, conf. I
286254.9552 0.4159 -4.9361 3 307.2595315 89502 303522924 512923 a-Alanine, conf. I
286279.4615 1.0211 -5.7512 3 907.2503495 89502 303826220 826121 a-Alanine, conf. I
286279.4615 1.0211 -5.7512 3 907.2503495 89502 303826221 826122 a-Alanine, conf. I
286284.2596 0.0752 -4.3928 3 151.4709231 89502 303381821 371720 a-Alanine, conf. I
286309.1780 0.0761 -5.2955 3 151.4709231 89502 303381820 371720 a-Alanine, conf. I
286343.9238 0.0648 -4.2828 3 143.1830219 89502 303362017 351916 a-Alanine, conf. I
286343.9412 0.0648 -5.2831 3 143.1830219 89502 303362016 351916 a-Alanine, conf. I
286344.0155 0.0648 -5.2831 3 143.1830219 89502 303362017 351917 a-Alanine, conf. I
286344.0328 0.0648 -4.2828 3 143.1830219 89502 303362016 351917 a-Alanine, conf. I
286383.5156 0.1405 -4.4783 3 156.3162237 89502 303391722 381623 a-Alanine, conf. I
286383.9455 0.0787 -5.2953 3 151.4676231 89502 303381821 371721 a-Alanine, conf. I
286408.8639 0.0800 -4.3925 3 151.4676231 89502 303381820 371721 a-Alanine, conf. I
286420.2686 4.1939 -5.9984 3 766.6025507 89502 303844045 834142 a-Alanine, conf. I
286420.2690 4.1939 -5.9984 3 766.6025507 89502 303844044 834143 a-Alanine, conf. I
286421.0835 1.0012 -5.7394 3 892.4008489 89502 303816219 816120 a-Alanine, conf. I
286421.0835 1.0012 -5.7394 3 892.4008489 89502 303816220 816121 a-Alanine, conf. I
286437.7706 0.8924 -5.2953 3 176.4456255 89502 303421527 411427 a-Alanine, conf. I
286466.8918 0.2160 -5.8210 3 115.3044231 89502 30338 335 37 235 a-Alanine, conf. I
286466.8918 0.2160 -5.8210 3 115.3044231 89502 30338 435 37 335 a-Alanine, conf. I
286499.6107 0.2342 -4.7203 3 294.3671357 89502 30359 653 58 652 a-Alanine, conf. I
286499.6107 0.2342 -4.1537 3 294.3671357 89502 30359 653 58 752 a-Alanine, conf. I
286499.6107 0.2342 -4.1537 3 294.3671357 89502 30359 753 58 652 a-Alanine, conf. I
286499.6107 0.2342 -4.7203 3 294.3671357 89502 30359 753 58 752 a-Alanine, conf. I
286539.3616 0.0717 -4.3312 3 147.1027225 89502 303371919 361818 a-Alanine, conf. I
286540.1610 0.0718 -5.2894 3 147.1027225 89502 303371918 361818 a-Alanine, conf. I
286543.0809 0.0719 -5.2894 3 147.1026225 89502 303371919 361819 a-Alanine, conf. I
286543.8802 0.0719 -4.3312 3 147.1026225 89502 303371918 361819 a-Alanine, conf. I
286557.1237 0.9878 -5.7290 3 877.7334483 89502 303806218 806119 a-Alanine, conf. I
286557.1237 0.9878 -5.7290 3 877.7334483 89502 303806219 806120 a-Alanine, conf. I
286570.4920 3.5376 -5.5470 3 485.8076417 89502 303692545 682642 a-Alanine, conf. I
286593.9946 0.2197 -5.3034 3 161.6145243 89502 303401625 391525 a-Alanine, conf. I
286649.5589 0.3112 -4.7488 3 261.2990309 89502 303511834 501833 a-Alanine, conf. I
286650.2176 0.0599 -5.2085 3 130.6925177 89502 3032928 1 2827 1 a-Alanine, conf. I
286650.2176 0.0599 -4.0496 3 130.6925177 89502 3032928 1 2827 2 a-Alanine, conf. I
286650.2176 0.0599 -4.0496 3 130.6925177 89502 3032928 2 2827 1 a-Alanine, conf. I
286650.2176 0.0599 -5.2085 3 130.6925177 89502 3032928 2 2827 2 a-Alanine, conf. I
286657.0585 4.1583 -5.9495 3 745.4186501 89502 303833945 824042 a-Alanine, conf. I
286657.0605 4.1583 -5.9495 3 745.4186501 89502 303833944 824043 a-Alanine, conf. I
286664.6479 5.2701 -5.8887 3 734.1032579 89502 30396 492 96 393 a-Alanine, conf. I
286664.6479 5.2701 -5.8887 3 734.1032579 89502 30396 592 96 493 a-Alanine, conf. I
286687.7235 0.9809 -5.7202 3 863.2480477 89502 303796217 796118 a-Alanine, conf. I
286687.7235 0.9809 -5.7202 3 863.2480477 89502 303796218 796119 a-Alanine, conf. I
286737.7293 0.4452 -4.9126 3 302.9702315 89502 303522825 512824 a-Alanine, conf. I
286737.7295 0.4452 -4.9126 3 302.9702315 89502 303522824 512823 a-Alanine, conf. I
286810.3721 4.4391 -5.8653 3 891.4688621 89502 303A3 994 A3 895 a-Alanine, conf. I
286810.3721 4.4391 -5.8653 3 891.4688621 89502 303A31094 A3 995 a-Alanine, conf. I
286813.0225 0.9802 -5.7131 3 848.9446471 89502 303786216 786117 a-Alanine, conf. I
286813.0225 0.9802 -5.7131 3 848.9446471 89502 303786217 786118 a-Alanine, conf. I
286887.9438 0.2341 -4.7363 3 289.9435345 89502 30357 948 56 947 a-Alanine, conf. I
286887.9438 0.2341 -4.2219 3 289.9435345 89502 30357 948 561047 a-Alanine, conf. I
286887.9438 0.2341 -4.2219 3 289.9435345 89502 303571048 56 947 a-Alanine, conf. I
286887.9438 0.2341 -4.7363 3 289.9435345 89502 303571048 561047 a-Alanine, conf. I
286924.0010 3.9782 -5.5411 3 556.6838441 89502 303733044 723141 a-Alanine, conf. I
286933.1579 0.9853 -5.7079 3 834.8231465 89502 303776215 776116 a-Alanine, conf. I
286933.1579 0.9853 -5.7079 3 834.8231465 89502 303776216 776117 a-Alanine, conf. I
286971.1296 4.1291 -5.9012 3 724.5763495 89502 303823845 813942 a-Alanine, conf. I
286971.1390 4.1291 -5.9012 3 724.5763495 89502 303823844 813943 a-Alanine, conf. I
287034.9567 0.2517 -5.4297 3 140.6273237 89502 30339 930 38 830 a-Alanine, conf. I
287036.3084 0.2515 -5.4297 3 140.6273237 89502 303391030 38 930 a-Alanine, conf. I
287048.2652 0.9960 -5.7046 3 820.8836459 89502 303766214 766115 a-Alanine, conf. I
287048.2652 0.9960 -5.7046 3 820.8836459 89502 303766215 766116 a-Alanine, conf. I
287158.4777 1.0116 -5.7037 3 807.1259453 89502 303756213 756114 a-Alanine, conf. I
287158.4777 1.0116 -5.7037 3 807.1259453 89502 303756214 756115 a-Alanine, conf. I
287185.5898 0.2023 -5.5108 3 80.3214183 89502 30330 723 29 624 a-Alanine, conf. I
287198.6496 0.6964 -4.7800 3 268.8374309 89502 303512131 502130 a-Alanine, conf. I
287204.3659 4.2215 -5.9218 3 960.8948639 89502 303A61195 A61096 a-Alanine, conf. I
287204.3659 4.2215 -5.9218 3 960.8948639 89502 303A61295 A61196 a-Alanine, conf. I
287205.1626 0.2014 -5.5107 3 80.3214183 89502 30330 823 29 524 a-Alanine, conf. I
287217.3973 4.1781 -5.5402 3 556.6832441 89502 303733043 723142 a-Alanine, conf. I
287263.9268 1.0318 -5.7053 3 793.5502447 89502 303746212 746113 a-Alanine, conf. I
287263.9268 1.0318 -5.7053 3 793.5502447 89502 303746213 746114 a-Alanine, conf. I
287274.5631 0.2558 -5.9814 3 111.7104231 89502 30338 236 37 136 a-Alanine, conf. I
287274.5631 0.2558 -5.9814 3 111.7104231 89502 30338 336 37 236 a-Alanine, conf. I
287289.9973 0.4776 -4.8901 3 298.8621315 89502 303522726 512725 a-Alanine, conf. I
287289.9996 0.4776 -4.8901 3 298.8621315 89502 303522725 512724 a-Alanine, conf. I
287295.2830 0.3003 -4.5173 3 268.2413315 89502 303521636 511735 a-Alanine, conf. I
287333.0492 4.6933 -4.9889 3 318.7690339 89502 303562036 552135 a-Alanine, conf. I
287364.7420 1.0560 -5.7098 3 780.1563441 89502 303736211 736112 a-Alanine, conf. I
287364.7420 1.0560 -5.7098 3 780.1563441 89502 303736212 736113 a-Alanine, conf. I
287375.4206 4.1076 -5.8535 3 704.0765489 89502 303813745 803842 a-Alanine, conf. I
287375.4634 4.1076 -5.8535 3 704.0765489 89502 303813744 803843 a-Alanine, conf. I
287383.4677 0.0474 -5.2178 3 131.8162183 89502 3033027 3 2926 3 a-Alanine, conf. I
287383.4677 0.0474 -4.0715 3 131.8162183 89502 3033027 3 2926 4 a-Alanine, conf. I
287383.4677 0.0474 -4.0715 3 131.8162183 89502 3033027 4 2926 3 a-Alanine, conf. I
287383.4677 0.0474 -5.2178 3 131.8162183 89502 3033027 4 2926 4 a-Alanine, conf. I
287402.3804 4.1100 -5.9973 3 1032.3135657 89502 303A91396 A91297 a-Alanine, conf. I
287402.3804 4.1100 -5.9973 3 1032.3135657 89502 303A91496 A91397 a-Alanine, conf. I
287412.3874 0.3708 -4.6933 3 300.4652375 89502 30362 260 61 259 a-Alanine, conf. I
287412.3874 0.3708 -4.0766 3 300.4652375 89502 30362 260 61 359 a-Alanine, conf. I
287412.3874 0.3708 -4.0766 3 300.4652375 89502 30362 360 61 259 a-Alanine, conf. I
287412.3874 0.3708 -4.6933 3 300.4652375 89502 30362 360 61 359 a-Alanine, conf. I
287414.1631 0.2397 -4.3083 3 283.5252333 89502 303551243 541342 a-Alanine, conf. I
287414.1673 0.2397 -4.7475 3 283.5252333 89502 303551343 541342 a-Alanine, conf. I
287414.1732 0.2397 -4.7475 3 283.5252333 89502 303551243 541242 a-Alanine, conf. I
287414.1774 0.2397 -4.3083 3 283.5252333 89502 303551343 541242 a-Alanine, conf. I
287423.6401 0.1483 -6.0283 3 71.1232165 89502 303271215 26 918 a-Alanine, conf. I
287460.8260 0.2345 -4.7291 3 251.3675303 89502 303501733 491732 a-Alanine, conf. I
287461.0509 1.0836 -5.7176 3 766.9442435 89502 303726210 726111 a-Alanine, conf. I
287461.0509 1.0836 -5.7176 3 766.9442435 89502 303726211 726112 a-Alanine, conf. I
287502.7878 4.9559 -5.8457 3 798.8128597 89502 30399 693 99 594 a-Alanine, conf. I
287502.7878 4.9559 -5.8457 3 798.8128597 89502 30399 793 99 694 a-Alanine, conf. I
287552.9793 1.1143 -5.7294 3 753.9139429 89502 3037162 9 716110 a-Alanine, conf. I
287552.9793 1.1143 -5.7294 3 753.9139429 89502 303716210 716111 a-Alanine, conf. I
287618.4129 0.2430 -4.5094 3 163.7549243 89502 303401724 391623 a-Alanine, conf. I
287640.6513 1.1475 -5.7459 3 741.0654423 89502 3037062 8 7061 9 a-Alanine, conf. I
287640.6513 1.1475 -5.7459 3 741.0654423 89502 3037062 9 706110 a-Alanine, conf. I
287724.1890 1.1828 -5.7681 3 728.3986417 89502 3036962 7 6961 8 a-Alanine, conf. I
287724.1890 1.1828 -5.7681 3 728.3986417 89502 3036962 8 6961 9 a-Alanine, conf. I
287726.1803 0.9089 -4.6197 3 270.8606315 89502 303521735 511834 a-Alanine, conf. I
287780.3863 0.4871 -6.0078 3 445.3249321 89502 3035350 3 5250 2 a-Alanine, conf. I
287780.3863 0.4871 -6.0078 3 445.3249321 89502 3035350 4 5250 3 a-Alanine, conf. I
287803.7129 1.2199 -5.7975 3 715.9136411 89502 3036862 6 6861 7 a-Alanine, conf. I
287803.7129 1.2199 -5.7975 3 715.9136411 89502 3036862 7 6861 8 a-Alanine, conf. I
287824.9707 5.5197 -5.9590 3 709.7698573 89502 30395 392 95 293 a-Alanine, conf. I
287824.9707 5.5197 -5.9590 3 709.7698573 89502 30395 492 95 393 a-Alanine, conf. I
287856.2980 0.4557 -5.8707 3 437.5889321 89502 3035349 4 5249 3 a-Alanine, conf. I
287856.2980 0.4557 -5.8707 3 437.5889321 89502 3035349 5 5249 4 a-Alanine, conf. I
287864.1358 0.2512 -4.7138 3 298.5825363 89502 30360 555 59 554 a-Alanine, conf. I
287864.1358 0.2512 -4.1325 3 298.5825363 89502 30360 555 59 654 a-Alanine, conf. I
287864.1358 0.2512 -4.1325 3 298.5825363 89502 30360 655 59 554 a-Alanine, conf. I
287864.1358 0.2512 -4.7138 3 298.5825363 89502 30360 655 59 654 a-Alanine, conf. I
287879.3418 1.2585 -5.8361 3 703.6103405 89502 3036762 5 6761 6 a-Alanine, conf. I
287879.3418 1.2585 -5.8361 3 703.6103405 89502 3036762 6 6761 7 a-Alanine, conf. I
287886.0267 4.0956 -5.8063 3 683.9202483 89502 303803645 793742 a-Alanine, conf. I
287886.2155 4.0958 -5.8063 3 683.9202483 89502 303803644 793743 a-Alanine, conf. I
287887.1908 0.2357 -4.7491 3 268.2413315 89502 303521736 511735 a-Alanine, conf. I
287896.4898 0.4903 -5.3487 3 155.2934243 89502 303401228 391128 a-Alanine, conf. I
287897.0946 0.1311 -5.8040 3 70.7182177 89502 30329 524 28 425 a-Alanine, conf. I
287897.2771 0.1311 -5.8040 3 70.7182177 89502 30329 624 28 325 a-Alanine, conf. I
287921.4072 0.8535 -4.7778 3 268.8614309 89502 303512130 502129 a-Alanine, conf. I
287928.5773 0.5137 -4.8685 3 294.9399315 89502 303522627 512626 a-Alanine, conf. I
287928.6082 0.5137 -4.8685 3 294.9399315 89502 303522626 512625 a-Alanine, conf. I
287938.1180 0.4260 -5.7621 3 430.0117321 89502 3035348 5 5248 4 a-Alanine, conf. I
287938.1180 0.4260 -5.7621 3 430.0117321 89502 3035348 6 5248 5 a-Alanine, conf. I
287951.1925 1.2982 -5.8873 3 691.4886399 89502 3036662 4 6661 5 a-Alanine, conf. I
287951.1925 1.2982 -5.8873 3 691.4886399 89502 3036662 5 6661 6 a-Alanine, conf. I
288019.3806 1.3388 -5.9565 3 679.5486393 89502 3036562 3 6561 4 a-Alanine, conf. I
288019.3806 1.3388 -5.9565 3 679.5486393 89502 3036562 4 6561 5 a-Alanine, conf. I
288026.3467 0.3982 -5.6715 3 422.5936321 89502 3035347 6 5247 5 a-Alanine, conf. I
288026.3467 0.3982 -5.6715 3 422.5936321 89502 3035347 7 5247 6 a-Alanine, conf. I
288086.8235 1.2365 -5.0174 3 127.7988219 89502 303361323 351224 a-Alanine, conf. I
288108.2364 0.0414 -5.2268 3 133.2913189 89502 3033126 5 3025 5 a-Alanine, conf. I
288108.2364 0.0414 -4.0947 3 133.2913189 89502 3033126 5 3025 6 a-Alanine, conf. I
288108.2364 0.0414 -4.0947 3 133.2913189 89502 3033126 6 3025 5 a-Alanine, conf. I
288108.2364 0.0414 -5.2268 3 133.2913189 89502 3033126 6 3025 6 a-Alanine, conf. I
288121.5431 0.3726 -5.5935 3 415.3348321 89502 3035346 7 5246 6 a-Alanine, conf. I
288121.5431 0.3726 -5.5935 3 415.3348321 89502 3035346 8 5246 7 a-Alanine, conf. I
288166.9380 4.6567 -5.8583 3 865.5511615 89502 303A2 894 A2 795 a-Alanine, conf. I
288166.9380 4.6567 -5.8583 3 865.5511615 89502 303A2 994 A2 895 a-Alanine, conf. I
288224.3331 0.3496 -5.5248 3 408.2355321 89502 3035345 8 5245 7 a-Alanine, conf. I
288224.3331 0.3496 -5.5248 3 408.2355321 89502 3035345 9 5245 8 a-Alanine, conf. I
288252.9290 0.2348 -4.7309 3 294.8055351 89502 30358 850 57 849 a-Alanine, conf. I
288252.9290 0.2348 -4.1963 3 294.8055351 89502 30358 850 57 949 a-Alanine, conf. I
288252.9290 0.2348 -4.1963 3 294.8055351 89502 30358 950 57 849 a-Alanine, conf. I
288252.9290 0.2348 -4.7309 3 294.8055351 89502 30358 950 57 949 a-Alanine, conf. I
288265.7171 0.3836 -5.2360 3 97.4623195 89502 303321122 31 823 a-Alanine, conf. I
288335.4199 0.3294 -5.4633 3 401.2963321 89502 3035344 9 5244 8 a-Alanine, conf. I
288335.4199 0.3294 -5.4633 3 401.2963321 89502 303534410 5244 9 a-Alanine, conf. I
288369.5830 0.6573 -4.7629 3 266.1783309 89502 303512032 502031 a-Alanine, conf. I
288414.5531 0.4949 -4.7517 3 263.7095309 89502 303511933 501932 a-Alanine, conf. I
288430.3183 0.2307 -4.7473 3 268.2034315 89502 303521636 511635 a-Alanine, conf. I
288452.3781 0.4336 -5.3471 3 155.2998243 89502 303401328 391228 a-Alanine, conf. I
288455.5965 0.3123 -5.4076 3 394.5173321 89502 303534310 5243 9 a-Alanine, conf. I
288455.5965 0.3123 -5.4076 3 394.5173321 89502 303534311 524310 a-Alanine, conf. I
288523.2424 4.0953 -5.7597 3 664.1089477 89502 303793545 783642 a-Alanine, conf. I
288524.0449 4.0961 -5.7597 3 664.1089477 89502 303793544 783643 a-Alanine, conf. I
288577.1000 0.2374 -4.4381 3 274.8869321 89502 303531538 521637 a-Alanine, conf. I
288585.7599 0.2989 -5.3566 3 387.8990321 89502 303534211 524210 a-Alanine, conf. I
288585.7599 0.2989 -5.3566 3 387.8990321 89502 303534212 524211 a-Alanine, conf. I
288597.9372 0.2105 -5.4642 3 137.7649237 89502 30339 831 38 731 a-Alanine, conf. I
288598.0300 0.2105 -5.4642 3 137.7649237 89502 30339 931 38 831 a-Alanine, conf. I
288613.9940 0.2364 -4.7505 3 274.8869321 89502 303531638 521637 a-Alanine, conf. I
288648.8911 4.3997 -5.9035 3 934.3039633 89502 303A51095 A5 996 a-Alanine, conf. I
288648.8911 4.3997 -5.9035 3 934.3039633 89502 303A51195 A51096 a-Alanine, conf. I
288654.0882 0.2358 -4.7503 3 274.8843321 89502 303531538 521537 a-Alanine, conf. I
288672.1094 1.2800 -4.6569 3 195.7179267 89502 303441728 431627 a-Alanine, conf. I
288677.1327 0.5548 -4.8477 3 291.2097315 89502 303522528 512527 a-Alanine, conf. I
288677.4964 0.5550 -4.8477 3 291.2097315 89502 303522527 512526 a-Alanine, conf. I
288690.9822 0.2355 -4.4378 3 274.8843321 89502 303531638 521537 a-Alanine, conf. I
288693.6121 0.1313 -5.2958 3 163.7549243 89502 303401723 391623 a-Alanine, conf. I
288696.7954 3.9748 -5.4998 3 539.1434435 89502 303722944 713041 a-Alanine, conf. I
288700.1984 0.2428 -4.2743 3 289.0723339 89502 303561145 551244 a-Alanine, conf. I
288700.1984 0.2428 -4.7438 3 289.0723339 89502 303561245 551244 a-Alanine, conf. I
288700.1986 0.2428 -4.7438 3 289.0723339 89502 303561145 551144 a-Alanine, conf. I
288700.1987 0.2428 -4.2743 3 289.0723339 89502 303561245 551144 a-Alanine, conf. I
288726.9296 0.2893 -5.3095 3 381.4419321 89502 303534112 524111 a-Alanine, conf. I
288726.9296 0.2893 -5.3095 3 381.4419321 89502 303534113 524112 a-Alanine, conf. I
288727.6048 0.4481 -4.6856 3 303.8531381 89502 30363 162 62 161 a-Alanine, conf. I
288727.6048 0.4481 -4.0589 3 303.8531381 89502 30363 162 62 261 a-Alanine, conf. I
288727.6048 0.4481 -4.0589 3 303.8531381 89502 30363 262 62 161 a-Alanine, conf. I
288727.6048 0.4481 -4.6856 3 303.8531381 89502 30363 262 62 261 a-Alanine, conf. I
288740.3475 5.2022 -5.8687 3 773.7898591 89502 30398 593 98 494 a-Alanine, conf. I
288740.3475 5.2022 -5.8687 3 773.7898591 89502 30398 693 98 594 a-Alanine, conf. I
288818.5506 0.0415 -5.2355 3 135.1214195 89502 3033225 7 3124 7 a-Alanine, conf. I
288818.5506 0.0415 -4.1194 3 135.1214195 89502 3033225 7 3124 8 a-Alanine, conf. I
288818.5506 0.0415 -4.1194 3 135.1214195 89502 3033225 8 3124 7 a-Alanine, conf. I
288818.5506 0.0415 -5.2355 3 135.1214195 89502 3033225 8 3124 8 a-Alanine, conf. I
288852.7192 1.7439 -6.0189 3 1126.3374573 89502 303956332 956233 a-Alanine, conf. I
288852.7192 1.7439 -6.0189 3 1126.3374573 89502 303956333 956234 a-Alanine, conf. I
288880.2691 0.2839 -5.2658 3 375.1465321 89502 303534013 524012 a-Alanine, conf. I
288880.2691 0.2839 -5.2658 3 375.1465321 89502 303534014 524013 a-Alanine, conf. I
288894.5173 5.5490 -5.4150 3 492.2012417 89502 303692742 682841 a-Alanine, conf. I
288939.7765 4.2241 -5.9708 3 1005.0566651 89502 303A81296 A81197 a-Alanine, conf. I
288939.7765 4.2241 -5.9708 3 1005.0566651 89502 303A81396 A81297 a-Alanine, conf. I
288942.3977 2.0587 -4.7366 3 283.1266321 89502 303531835 521934 a-Alanine, conf. I
289022.2261 0.2835 -4.5114 3 268.2034315 89502 303521736 511635 a-Alanine, conf. I
289047.1126 0.2827 -5.2251 3 369.0133321 89502 303533914 523913 a-Alanine, conf. I
289047.1126 0.2827 -5.2251 3 369.0133321 89502 303533915 523914 a-Alanine, conf. I
289067.5638 1.6602 -5.9947 3 1109.1270567 89502 303946331 946232 a-Alanine, conf. I
289067.5638 1.6602 -5.9947 3 1109.1270567 89502 303946332 946233 a-Alanine, conf. I
289218.9776 0.2816 -4.7070 3 302.6015369 89502 30361 457 60 456 a-Alanine, conf. I
289218.9776 0.2816 -4.1126 3 302.6015369 89502 30361 457 60 556 a-Alanine, conf. I
289218.9776 0.2816 -4.1126 3 302.6015369 89502 30361 557 60 456 a-Alanine, conf. I
289218.9776 0.2816 -4.7070 3 302.6015369 89502 30361 557 60 556 a-Alanine, conf. I
289228.9982 0.2858 -5.1869 3 363.0429321 89502 303533815 523814 a-Alanine, conf. I
289228.9982 0.2858 -5.1869 3 363.0429321 89502 303533816 523815 a-Alanine, conf. I
289258.9582 1.2039 -4.7358 3 254.6297303 89502 303501931 491930 a-Alanine, conf. I
289275.2052 1.5807 -5.9712 3 1092.0987561 89502 303936330 936231 a-Alanine, conf. I
289275.2052 1.5807 -5.9712 3 1092.0987561 89502 303936331 936232 a-Alanine, conf. I
289312.8974 4.1095 -5.7137 3 644.6439471 89502 303783445 773542 a-Alanine, conf. I
289316.1792 4.1127 -5.7137 3 644.6439471 89502 303783444 773543 a-Alanine, conf. I
289427.7096 0.2928 -5.1510 3 357.2362321 89502 303533716 523715 a-Alanine, conf. I
289427.7096 0.2928 -5.1510 3 357.2362321 89502 303533717 523716 a-Alanine, conf. I
289475.8062 1.5055 -5.9486 3 1075.2524555 89502 303926329 926230 a-Alanine, conf. I
289475.8062 1.5055 -5.9486 3 1075.2524555 89502 303926330 926231 a-Alanine, conf. I
289485.7167 4.8894 -5.8587 3 839.8448609 89502 303A1 794 A1 695 a-Alanine, conf. I
289485.7167 4.8894 -5.8587 3 839.8448609 89502 303A1 894 A1 795 a-Alanine, conf. I
289505.4153 0.0453 -5.2438 3 137.3113201 89502 3033324 9 3223 9 a-Alanine, conf. I
289505.4153 0.0453 -4.1461 3 137.3113201 89502 3033324 9 322310 a-Alanine, conf. I
289505.4153 0.0453 -4.1461 3 137.3113201 89502 303332410 3223 9 a-Alanine, conf. I
289505.4153 0.0453 -5.2438 3 137.3113201 89502 303332410 322310 a-Alanine, conf. I
289543.2131 0.2419 -4.3824 3 281.2258327 89502 303541440 531539 a-Alanine, conf. I
289544.9113 0.2419 -4.7501 3 281.2258327 89502 303541540 531539 a-Alanine, conf. I
289546.9855 0.2419 -4.7501 3 281.2257327 89502 303541440 531439 a-Alanine, conf. I
289548.6837 0.2419 -4.3824 3 281.2257327 89502 303541540 531439 a-Alanine, conf. I
289569.9031 0.6031 -4.8274 3 287.6796315 89502 303522429 512428 a-Alanine, conf. I
289573.6167 0.6042 -4.8274 3 287.6797315 89502 303522428 512427 a-Alanine, conf. I
289622.5775 0.2377 -4.7252 3 299.4646357 89502 30359 752 58 751 a-Alanine, conf. I
289622.5775 0.2377 -4.1728 3 299.4646357 89502 30359 752 58 851 a-Alanine, conf. I
289622.5775 0.2377 -4.1728 3 299.4646357 89502 30359 852 58 751 a-Alanine, conf. I
289622.5775 0.2377 -4.7252 3 299.4646357 89502 30359 852 58 851 a-Alanine, conf. I
289645.3288 0.3035 -5.1171 3 351.5939321 89502 303533617 523616 a-Alanine, conf. I
289645.3288 0.3035 -5.1171 3 351.5939321 89502 303533618 523617 a-Alanine, conf. I
289660.6637 4.5680 -5.4966 3 539.1412435 89502 303722943 713042 a-Alanine, conf. I
289669.5265 1.4348 -5.9268 3 1058.5882549 89502 303916328 916229 a-Alanine, conf. I
289669.5265 1.4348 -5.9268 3 1058.5882549 89502 303916329 916230 a-Alanine, conf. I
289752.2901 5.7290 -5.0709 3 342.7834351 89502 303582137 572236 a-Alanine, conf. I
289856.5235 1.3689 -5.9059 3 1042.1060543 89502 303906327 906228 a-Alanine, conf. I
289856.5235 1.3689 -5.9059 3 1042.1060543 89502 303906328 906229 a-Alanine, conf. I
289884.3040 0.3176 -5.0850 3 346.1170321 89502 303533518 523517 a-Alanine, conf. I
289884.3040 0.3176 -5.0850 3 346.1170321 89502 303533519 523518 a-Alanine, conf. I
289943.4789 5.4536 -5.9100 3 748.9826585 89502 30397 493 97 394 a-Alanine, conf. I
289943.4789 5.4536 -5.9100 3 748.9826585 89502 30397 593 97 494 a-Alanine, conf. I
289955.1870 0.1823 -5.5059 3 134.7511237 89502 30339 732 38 632 a-Alanine, conf. I
289955.1921 0.1823 -5.5059 3 134.7511237 89502 30339 832 38 732 a-Alanine, conf. I
289991.5850 0.4374 -4.5430 3 171.3759249 89502 303411725 401624 a-Alanine, conf. I
290024.4270 0.5417 -4.6778 3 307.0455387 89502 30364 064 63 063 a-Alanine, conf. I
290024.4270 0.5417 -4.0419 3 307.0455387 89502 30364 064 63 163 a-Alanine, conf. I
290024.4270 0.5417 -4.0419 3 307.0455387 89502 30364 164 63 063 a-Alanine, conf. I
290024.4270 0.5417 -4.6778 3 307.0455387 89502 30364 164 63 163 a-Alanine, conf. I
290029.0998 0.2444 -4.7395 3 294.3989345 89502 303571047 561046 a-Alanine, conf. I
290029.0998 0.2444 -4.2443 3 294.3989345 89502 303571047 561146 a-Alanine, conf. I
290029.0998 0.2444 -4.2443 3 294.3989345 89502 303571147 561046 a-Alanine, conf. I
290029.0998 0.2444 -4.7395 3 294.3989345 89502 303571147 561146 a-Alanine, conf. I
290036.9520 1.3080 -5.8859 3 1025.8059537 89502 303896326 896227 a-Alanine, conf. I
290036.9520 1.3080 -5.8859 3 1025.8059537 89502 303896327 896228 a-Alanine, conf. I
290053.1941 4.6036 -5.8900 3 907.9212627 89502 303A4 995 A4 896 a-Alanine, conf. I
290053.1941 4.6036 -5.8900 3 907.9212627 89502 303A41095 A4 996 a-Alanine, conf. I
290134.5625 11.1609 -5.8414 3 556.6607447 89502 303742649 732746 a-Alanine, conf. I
290147.5377 0.3346 -5.0547 3 340.8067321 89502 303533419 523418 a-Alanine, conf. I
290147.5377 0.3346 -5.0547 3 340.8067321 89502 303533420 523419 a-Alanine, conf. I
290155.1457 0.0509 -5.2518 3 139.8668207 89502 303342311 332211 a-Alanine, conf. I
290155.1457 0.0509 -4.1752 3 139.8668207 89502 303342311 332212 a-Alanine, conf. I
290155.1457 0.0509 -4.1752 3 139.8668207 89502 303342312 332211 a-Alanine, conf. I
290155.1457 0.0509 -5.2518 3 139.8668207 89502 303342312 332212 a-Alanine, conf. I
290210.9642 1.2524 -5.8669 3 1009.6877531 89502 303886325 886226 a-Alanine, conf. I
290210.9642 1.2524 -5.8669 3 1009.6877531 89502 303886326 886227 a-Alanine, conf. I
290287.6635 4.1412 -5.6682 3 625.5272465 89502 303773345 763442 a-Alanine, conf. I
290300.5392 4.1527 -5.6682 3 625.5272465 89502 303773344 763443 a-Alanine, conf. I
290378.7101 1.2024 -5.8489 3 993.7515525 89502 303876324 876225 a-Alanine, conf. I
290378.7101 1.2024 -5.8489 3 993.7515525 89502 303876325 876226 a-Alanine, conf. I
290420.6636 0.7097 -5.9849 3 136.1164225 89502 303371423 361224 a-Alanine, conf. I
290434.2808 4.3772 -5.9479 3 978.0044645 89502 303A71196 A71097 a-Alanine, conf. I
290434.2808 4.3772 -5.9479 3 978.0044645 89502 303A71296 A71197 a-Alanine, conf. I
290438.5038 0.3543 -5.0258 3 335.6641321 89502 303533320 523319 a-Alanine, conf. I
290438.5038 0.3543 -5.0258 3 335.6641321 89502 303533321 523320 a-Alanine, conf. I
290480.0865 1.0118 -4.6236 3 187.3627261 89502 303431727 421626 a-Alanine, conf. I
290511.1360 3.7898 -5.4621 3 521.9684429 89502 303712844 702941 a-Alanine, conf. I
290540.3374 1.1583 -5.8319 3 977.9972519 89502 303866323 866224 a-Alanine, conf. I
290540.3374 1.1583 -5.8319 3 977.9972519 89502 303866324 866225 a-Alanine, conf. I
290561.1421 0.3279 -4.7000 3 306.4246375 89502 30362 359 61 358 a-Alanine, conf. I
290561.1421 0.3279 -4.0938 3 306.4246375 89502 30362 359 61 458 a-Alanine, conf. I
290561.1421 0.3279 -4.0938 3 306.4246375 89502 30362 459 61 358 a-Alanine, conf. I
290561.1421 0.3279 -4.7000 3 306.4246375 89502 30362 459 61 458 a-Alanine, conf. I
290619.7715 4.2552 -6.0248 3 1050.0794663 89502 303B01397 B01298 a-Alanine, conf. I
290619.7715 4.2552 -6.0248 3 1050.0794663 89502 303B01497 B01398 a-Alanine, conf. I
290653.5226 0.6601 -4.8077 3 284.3610315 89502 303522330 512329 a-Alanine, conf. I
290663.1472 0.2470 -4.3380 3 287.2923333 89502 303551342 541441 a-Alanine, conf. I
290663.2076 0.2470 -4.7484 3 287.2923333 89502 303551442 541441 a-Alanine, conf. I
290663.2885 0.2470 -4.7484 3 287.2923333 89502 303551342 541341 a-Alanine, conf. I
290663.3489 0.2470 -4.3380 3 287.2923333 89502 303551442 541341 a-Alanine, conf. I
290685.8905 0.6692 -4.8076 3 284.3618315 89502 303522329 512328 a-Alanine, conf. I
290694.4237 0.2951 -4.7329 3 260.9561309 89502 303511734 501733 a-Alanine, conf. I
290695.9915 1.1204 -5.8160 3 962.4249513 89502 303856322 856223 a-Alanine, conf. I
290695.9915 1.1204 -5.8160 3 962.4249513 89502 303856323 856224 a-Alanine, conf. I
290746.5022 0.0571 -5.2594 3 142.7962213 89502 303352213 342113 a-Alanine, conf. I
290746.5022 0.0571 -4.2075 3 142.7962213 89502 303352214 342113 a-Alanine, conf. I
290746.5023 0.0571 -4.2075 3 142.7962213 89502 303352213 342114 a-Alanine, conf. I
290746.5023 0.0571 -5.2594 3 142.7962213 89502 303352214 342114 a-Alanine, conf. I
290761.4052 0.3764 -4.9984 3 330.6909321 89502 303533221 523220 a-Alanine, conf. I
290761.4052 0.3764 -4.9984 3 330.6909321 89502 303533222 523221 a-Alanine, conf. I
290767.9399 5.1332 -5.8685 3 814.3514603 89502 303A0 694 A0 595 a-Alanine, conf. I
290767.9399 5.1332 -5.8685 3 814.3514603 89502 303A0 794 A0 695 a-Alanine, conf. I
290825.5022 0.3812 -5.3670 3 152.8422243 89502 303401129 391029 a-Alanine, conf. I
290845.8155 1.0889 -5.8013 3 947.0346507 89502 303846321 846222 a-Alanine, conf. I
290845.8155 1.0889 -5.8013 3 947.0346507 89502 303846322 846223 a-Alanine, conf. I
290895.0356 0.1186 -5.2907 3 163.6456243 89502 303401724 391624 a-Alanine, conf. I
290896.7864 0.3733 -5.3668 3 152.8428243 89502 303401229 391129 a-Alanine, conf. I
290989.9161 1.8169 -5.4271 3 488.7733417 89502 303692644 682741 a-Alanine, conf. I
290989.9507 1.0639 -5.7879 3 931.8261501 89502 303836320 836221 a-Alanine, conf. I
290989.9507 1.0639 -5.7879 3 931.8261501 89502 303836321 836222 a-Alanine, conf. I
290990.1456 0.7080 -4.5828 3 179.2447255 89502 303421726 411625 a-Alanine, conf. I
290990.3822 0.2464 -4.7192 3 303.9237363 89502 30360 654 59 653 a-Alanine, conf. I
290990.3822 0.2464 -4.1510 3 303.9237363 89502 30360 654 59 753 a-Alanine, conf. I
290990.3822 0.2464 -4.1510 3 303.9237363 89502 30360 754 59 653 a-Alanine, conf. I
290990.3822 0.2464 -4.7192 3 303.9237363 89502 30360 754 59 753 a-Alanine, conf. I
291113.2526 5.7082 -5.9799 3 724.3927579 89502 30396 393 96 294 a-Alanine, conf. I
291113.2526 5.7082 -5.9799 3 724.3927579 89502 30396 493 96 394 a-Alanine, conf. I
291121.3921 0.4009 -4.9723 3 325.8890321 89502 303533122 523121 a-Alanine, conf. I
291121.3921 0.4009 -4.9723 3 325.8890321 89502 303533123 523122 a-Alanine, conf. I
291128.5359 1.0456 -5.7757 3 916.7995495 89502 303826319 826220 a-Alanine, conf. I
291128.5359 1.0456 -5.7757 3 916.7995495 89502 303826320 826221 a-Alanine, conf. I
291152.9506 0.0788 -4.4048 3 158.5661237 89502 303391822 381721 a-Alanine, conf. I
291153.6865 0.1708 -5.5568 3 131.5925237 89502 30339 633 38 533 a-Alanine, conf. I
291153.6868 0.1708 -5.5568 3 131.5925237 89502 30339 733 38 633 a-Alanine, conf. I
291213.5323 0.0801 -5.2862 3 158.5661237 89502 303391821 381721 a-Alanine, conf. I
291245.4156 0.0639 -4.2440 3 146.1103219 89502 303362116 352015 a-Alanine, conf. I
291245.4165 0.0639 -5.2666 3 146.1103219 89502 303362115 352015 a-Alanine, conf. I
291245.4208 0.0639 -5.2666 3 146.1103219 89502 303362116 352016 a-Alanine, conf. I
291245.4217 0.0639 -4.2440 3 146.1103219 89502 303362115 352016 a-Alanine, conf. I
291250.5958 6.6164 -5.1465 3 367.6647363 89502 303602238 592337 a-Alanine, conf. I
291261.7082 1.0339 -5.7650 3 901.9548489 89502 303816318 816219 a-Alanine, conf. I
291261.7082 1.0339 -5.7650 3 901.9548489 89502 303816319 816220 a-Alanine, conf. I
291322.1711 0.2864 -4.7457 3 270.8606315 89502 303521835 511834 a-Alanine, conf. I
291332.7668 0.5011 -5.2739 3 186.0001261 89502 303431627 421527 a-Alanine, conf. I
291340.2150 0.0722 -5.1910 3 134.9940177 89502 3032929 0 2828 0 a-Alanine, conf. I
291340.2150 0.0722 -4.0262 3 134.9940177 89502 3032929 0 2828 1 a-Alanine, conf. I
291340.2150 0.0722 -4.0262 3 134.9940177 89502 3032929 1 2828 0 a-Alanine, conf. I
291340.2150 0.0722 -5.1910 3 134.9940177 89502 3032929 1 2828 1 a-Alanine, conf. I
291382.0593 0.2450 -4.7348 3 299.5131351 89502 30358 949 57 948 a-Alanine, conf. I
291382.0593 0.2450 -4.2174 3 299.5131351 89502 30358 949 571048 a-Alanine, conf. I
291382.0593 0.2450 -4.2174 3 299.5131351 89502 303581049 57 948 a-Alanine, conf. I
291382.0593 0.2450 -4.7348 3 299.5131351 89502 303581049 571048 a-Alanine, conf. I
291383.1523 0.0857 -5.2857 3 158.5585237 89502 303391822 381722 a-Alanine, conf. I
291389.6026 1.0287 -5.7559 3 887.2919483 89502 303806317 806218 a-Alanine, conf. I
291389.6026 1.0287 -5.7559 3 887.2919483 89502 303806318 806219 a-Alanine, conf. I
291418.6275 4.8271 -5.8825 3 881.7481621 89502 303A3 895 A3 796 a-Alanine, conf. I
291418.6275 4.8271 -5.8825 3 881.7481621 89502 303A3 995 A3 896 a-Alanine, conf. I
291443.7340 0.0893 -4.4041 3 158.5585237 89502 303391821 381722 a-Alanine, conf. I
291472.1280 0.1649 -5.2107 3 106.9768201 89502 303331321 321022 a-Alanine, conf. I
291486.7683 4.1912 -5.6234 3 606.7609459 89502 303763245 753342 a-Alanine, conf. I
291512.3522 1.0297 -5.7485 3 872.8109477 89502 303796316 796217 a-Alanine, conf. I
291512.3522 1.0297 -5.7485 3 872.8109477 89502 303796317 796218 a-Alanine, conf. I
291524.8692 0.4276 -4.9473 3 321.2604321 89502 303533023 523022 a-Alanine, conf. I
291524.8692 0.4276 -4.9473 3 321.2604321 89502 303533024 523023 a-Alanine, conf. I
291535.0568 4.2310 -5.6233 3 606.7609459 89502 303763244 753343 a-Alanine, conf. I
291550.0830 0.2724 -5.3992 3 87.7372189 89502 30331 823 30 724 a-Alanine, conf. I
291594.1818 0.0710 -4.2864 3 149.8246225 89502 303372018 361917 a-Alanine, conf. I
291594.2363 0.0710 -5.2734 3 149.8246225 89502 303372017 361917 a-Alanine, conf. I
291594.4588 0.0710 -5.2734 3 149.8246225 89502 303372018 361918 a-Alanine, conf. I
291594.5132 0.0710 -4.2864 3 149.8246225 89502 303372017 361918 a-Alanine, conf. I
291630.0881 1.0366 -5.7428 3 858.5116471 89502 303786315 786216 a-Alanine, conf. I
291630.0881 1.0366 -5.7428 3 858.5116471 89502 303786316 786217 a-Alanine, conf. I
291650.0272 0.2671 -5.3990 3 87.7372189 89502 30331 923 30 624 a-Alanine, conf. I
291656.8350 1.1989 -4.7522 3 266.3190309 89502 303512031 502030 a-Alanine, conf. I
291681.4896 0.0778 -4.3378 3 153.9627231 89502 303381920 371819 a-Alanine, conf. I
291683.6987 0.0779 -5.2798 3 153.9627231 89502 303381919 371819 a-Alanine, conf. I
291691.3232 0.0782 -5.2797 3 153.9623231 89502 303381920 371820 a-Alanine, conf. I
291693.5323 0.0784 -4.3378 3 153.9623231 89502 303381919 371820 a-Alanine, conf. I
291742.9397 1.0489 -5.7393 3 844.3942465 89502 303776314 776215 a-Alanine, conf. I
291742.9397 1.0489 -5.7393 3 844.3942465 89502 303776315 776216 a-Alanine, conf. I
291745.4270 3.1761 -5.4333 3 505.1707423 89502 303702744 692841 a-Alanine, conf. I
291814.1617 0.6233 -4.7145 3 252.9453303 89502 303501832 491831 a-Alanine, conf. I
291851.0345 1.0662 -5.7380 3 830.4585459 89502 303766313 766214 a-Alanine, conf. I
291851.0345 1.0662 -5.7380 3 830.4585459 89502 303766314 766215 a-Alanine, conf. I
291887.3859 4.5621 -5.9291 3 951.1585639 89502 303A61096 A6 997 a-Alanine, conf. I
291887.3859 4.5621 -5.9291 3 951.1585639 89502 303A61196 A61097 a-Alanine, conf. I
291888.2262 0.3912 -4.6929 3 310.0522381 89502 30363 261 62 260 a-Alanine, conf. I
291888.2262 0.3912 -4.0758 3 310.0522381 89502 30363 261 62 360 a-Alanine, conf. I
291888.2262 0.3912 -4.0758 3 310.0522381 89502 30363 361 62 260 a-Alanine, conf. I
291888.2262 0.3912 -4.6929 3 310.0522381 89502 30363 361 62 360 a-Alanine, conf. I
291892.9688 0.2513 -4.3007 3 293.1123339 89502 303561244 551343 a-Alanine, conf. I
291892.9705 0.2513 -4.7457 3 293.1123339 89502 303561344 551343 a-Alanine, conf. I
291892.9729 0.2513 -4.7457 3 293.1123339 89502 303561244 551243 a-Alanine, conf. I
291892.9747 0.2513 -4.3007 3 293.1123339 89502 303561344 551243 a-Alanine, conf. I
291952.5859 0.2690 -4.4929 3 277.8442321 89502 303531637 521736 a-Alanine, conf. I
291954.4981 1.0880 -5.7392 3 816.7045453 89502 303756312 756213 a-Alanine, conf. I
291954.4981 1.0880 -5.7392 3 816.7045453 89502 303756313 756214 a-Alanine, conf. I
291960.9436 0.7194 -4.7884 3 281.2688315 89502 303522231 512230 a-Alanine, conf. I
291970.2347 0.2271 -4.5011 3 163.6456243 89502 303401723 391624 a-Alanine, conf. I
291979.9455 0.4569 -4.9235 3 316.8079321 89502 303532924 522923 a-Alanine, conf. I
291979.9455 0.4569 -4.9235 3 316.8079321 89502 303532925 522924 a-Alanine, conf. I
291990.9935 0.4476 -5.3063 3 167.1005249 89502 303411527 401427 a-Alanine, conf. I
292005.8961 0.6725 -5.3253 3 164.8966249 89502 303411328 401228 a-Alanine, conf. I
292014.7756 5.3846 -5.8910 3 789.0723597 89502 30399 594 99 495 a-Alanine, conf. I
292014.7756 5.3846 -5.8910 3 789.0723597 89502 30399 694 99 595 a-Alanine, conf. I
292053.4546 1.1137 -5.7434 3 803.1323447 89502 303746311 746212 a-Alanine, conf. I
292053.4546 1.1137 -5.7434 3 803.1323447 89502 303746312 746213 a-Alanine, conf. I
292075.8720 0.0561 -5.2003 3 135.9553183 89502 3033028 2 2927 2 a-Alanine, conf. I
292075.8720 0.0561 -4.0472 3 135.9553183 89502 3033028 2 2927 3 a-Alanine, conf. I
292075.8720 0.0561 -4.0472 3 135.9553183 89502 3033028 3 2927 2 a-Alanine, conf. I
292075.8720 0.0561 -5.2003 3 135.9553183 89502 3033028 3 2927 3 a-Alanine, conf. I
292148.0261 1.1428 -5.7509 3 789.7417441 89502 303736310 736211 a-Alanine, conf. I
292148.0261 1.1428 -5.7509 3 789.7417441 89502 303736311 736212 a-Alanine, conf. I
292156.8365 0.1962 -5.2893 3 171.3759249 89502 303411724 401624 a-Alanine, conf. I
292165.4055 4.3769 -5.9978 3 1022.5679657 89502 303A91297 A91198 a-Alanine, conf. I
292165.4055 4.3769 -5.9978 3 1022.5679657 89502 303A91397 A91298 a-Alanine, conf. I
292195.4807 0.7785 -4.7877 3 281.2758315 89502 303522230 512229 a-Alanine, conf. I
292225.2831 0.1780 -5.6202 3 128.2941237 89502 30339 534 38 434 a-Alanine, conf. I
292225.2831 0.1780 -5.6202 3 128.2941237 89502 30339 634 38 534 a-Alanine, conf. I
292238.3333 1.1750 -5.7624 3 776.5328435 89502 3037263 9 726210 a-Alanine, conf. I
292238.3333 1.1750 -5.7624 3 776.5328435 89502 303726310 726211 a-Alanine, conf. I
292254.1067 0.2444 -4.7475 3 277.8442321 89502 303531737 521736 a-Alanine, conf. I
292265.9109 1.2070 -4.7786 3 152.3329237 89502 303391524 381425 a-Alanine, conf. I
292285.8209 7.2500 -5.2126 3 393.4155375 89502 303622339 612438 a-Alanine, conf. I
292324.4950 1.2096 -5.7785 3 763.5056429 89502 3037163 8 7162 9 a-Alanine, conf. I
292324.4950 1.2096 -5.7785 3 763.5056429 89502 3037163 9 716210 a-Alanine, conf. I
292351.5436 0.2651 -4.7130 3 308.1847369 89502 30361 556 60 555 a-Alanine, conf. I
292351.5436 0.2651 -4.1306 3 308.1847369 89502 30361 556 60 655 a-Alanine, conf. I
292351.5436 0.2651 -4.1306 3 308.1847369 89502 30361 656 60 555 a-Alanine, conf. I
292351.5436 0.2651 -4.7130 3 308.1847369 89502 30361 656 60 655 a-Alanine, conf. I
292406.6285 1.2464 -5.8004 3 750.6601423 89502 3037063 7 7062 8 a-Alanine, conf. I
292406.6285 1.2464 -5.8004 3 750.6601423 89502 3037063 8 7062 9 a-Alanine, conf. I
292484.8492 1.2849 -5.8294 3 737.9961417 89502 3036963 6 6962 7 a-Alanine, conf. I
292484.8492 1.2849 -5.8294 3 737.9961417 89502 3036963 7 6962 8 a-Alanine, conf. I
292497.1118 0.4889 -4.9006 3 312.5348321 89502 303532826 522825 a-Alanine, conf. I
292497.1123 0.4889 -4.9006 3 312.5348321 89502 303532825 522824 a-Alanine, conf. I
292541.9508 0.2972 -5.2935 3 169.1397249 89502 303411626 401526 a-Alanine, conf. I
292544.4937 0.2403 -4.7465 3 277.8244321 89502 303531637 521636 a-Alanine, conf. I
292559.2713 1.3248 -5.8677 3 725.5137411 89502 3036863 5 6862 6 a-Alanine, conf. I
292559.2713 1.3248 -5.8677 3 725.5137411 89502 3036863 6 6862 7 a-Alanine, conf. I
292583.9034 0.3975 -5.1791 3 105.2073201 89502 303331222 32 923 a-Alanine, conf. I
292630.0072 1.3659 -5.9185 3 713.2129405 89502 3036763 4 6762 5 a-Alanine, conf. I
292630.0072 1.3659 -5.9185 3 713.2129405 89502 3036763 5 6762 6 a-Alanine, conf. I
292639.3469 0.7649 -4.6347 3 161.6145243 89502 303401624 391525 a-Alanine, conf. I
292697.1676 1.4079 -5.9874 3 701.0936399 89502 3036663 3 6662 4 a-Alanine, conf. I
292697.1676 1.4079 -5.9874 3 701.0936399 89502 3036663 4 6662 5 a-Alanine, conf. I
292746.4704 5.0654 -5.8823 3 855.7861615 89502 303A2 795 A2 696 a-Alanine, conf. I
292746.4704 5.0654 -5.8823 3 855.7861615 89502 303A2 895 A2 796 a-Alanine, conf. I
292746.7518 0.2458 -4.7297 3 304.4206357 89502 30359 851 58 850 a-Alanine, conf. I
292746.7518 0.2458 -4.1928 3 304.4206357 89502 30359 851 58 950 a-Alanine, conf. I
292746.7518 0.2458 -4.1928 3 304.4206357 89502 30359 951 58 850 a-Alanine, conf. I
292746.7518 0.2458 -4.7297 3 304.4206357 89502 30359 951 58 950 a-Alanine, conf. I
292805.3547 0.0463 -5.2093 3 137.2665189 89502 3033127 4 3026 4 a-Alanine, conf. I
292805.3547 0.0463 -4.0694 3 137.2665189 89502 3033127 4 3026 5 a-Alanine, conf. I
292805.3547 0.0463 -4.0694 3 137.2665189 89502 3033127 5 3026 4 a-Alanine, conf. I
292805.3547 0.0463 -5.2093 3 137.2665189 89502 3033127 5 3026 5 a-Alanine, conf. I
292846.0145 0.2544 -4.4899 3 277.8244321 89502 303531737 521636 a-Alanine, conf. I
292930.8111 4.4467 -5.9979 3 782.0432513 89502 303854046 844143 a-Alanine, conf. I
292930.8121 4.4467 -5.9979 3 782.0432513 89502 303854045 844144 a-Alanine, conf. I
292948.7966 4.2516 -5.5794 3 588.3480453 89502 303753145 743242 a-Alanine, conf. I
292982.6481 0.3132 -5.3907 3 150.2018243 89502 303401030 39 930 a-Alanine, conf. I
292986.5074 0.2486 -4.4228 3 284.5140327 89502 303541539 531638 a-Alanine, conf. I
292989.7857 0.3124 -5.3907 3 150.2018243 89502 303401130 391030 a-Alanine, conf. I
293003.9197 0.2482 -4.7489 3 284.5140327 89502 303541639 531638 a-Alanine, conf. I
293023.4014 0.2480 -4.7488 3 284.5128327 89502 303541539 531538 a-Alanine, conf. I
293040.8137 0.2478 -4.4226 3 284.5128327 89502 303541639 531538 a-Alanine, conf. I
293062.4206 0.1442 -6.0094 3 68.1827177 89502 30329 425 28 326 a-Alanine, conf. I
293062.4281 0.1442 -6.0094 3 68.1827177 89502 30329 525 28 226 a-Alanine, conf. I
293090.3096 0.5243 -4.8787 3 308.4451321 89502 303532727 522726 a-Alanine, conf. I
293090.3160 0.5243 -4.8787 3 308.4451321 89502 303532726 522725 a-Alanine, conf. I
293121.0861 4.3815 -5.5788 3 588.3477453 89502 303753144 743243 a-Alanine, conf. I
293165.7234 0.1607 -5.6386 3 77.9582183 89502 30330 624 29 525 a-Alanine, conf. I
293167.0671 0.1607 -5.6386 3 77.9582183 89502 30330 724 29 425 a-Alanine, conf. I
293187.9914 0.2542 -4.2683 3 298.7023345 89502 303571146 561245 a-Alanine, conf. I
293187.9915 0.2542 -4.7423 3 298.7023345 89502 303571146 561145 a-Alanine, conf. I
293187.9915 0.2542 -4.2683 3 298.7023345 89502 303571246 561145 a-Alanine, conf. I
293187.9915 0.2542 -4.7423 3 298.7023345 89502 303571246 561245 a-Alanine, conf. I
293192.9161 0.2016 -5.7013 3 124.8599237 89502 30339 435 38 335 a-Alanine, conf. I
293192.9161 0.2016 -5.7013 3 124.8599237 89502 30339 535 38 435 a-Alanine, conf. I
293198.2486 0.4714 -4.6856 3 313.4840387 89502 30364 163 63 162 a-Alanine, conf. I
293198.2486 0.4714 -4.0586 3 313.4840387 89502 30364 163 63 262 a-Alanine, conf. I
293198.2486 0.4714 -4.0586 3 313.4840387 89502 30364 263 63 162 a-Alanine, conf. I
293198.2486 0.4714 -4.6856 3 313.4840387 89502 30364 263 63 262 a-Alanine, conf. I
293227.3328 5.6412 -5.9318 3 764.0088591 89502 30398 494 98 395 a-Alanine, conf. I
293227.3328 5.6412 -5.9318 3 764.0088591 89502 30398 594 98 495 a-Alanine, conf. I
293239.8809 4.4152 -5.9487 3 760.6914507 89502 303843946 834043 a-Alanine, conf. I
293239.8858 4.4152 -5.9487 3 760.6914507 89502 303843945 834044 a-Alanine, conf. I
293252.7285 0.4843 -5.8906 3 454.9242327 89502 3035450 4 5350 3 a-Alanine, conf. I
293252.7285 0.4843 -5.8906 3 454.9242327 89502 3035450 5 5350 4 a-Alanine, conf. I
293300.4992 4.7721 -5.9151 3 924.5205633 89502 303A5 996 A5 897 a-Alanine, conf. I
293300.4992 4.7721 -5.9151 3 924.5205633 89502 303A51096 A5 997 a-Alanine, conf. I
293333.3457 7.5617 -5.2692 3 420.0377387 89502 303642440 632539 a-Alanine, conf. I
293333.4582 0.4534 -5.7815 3 447.1908327 89502 3035449 5 5349 4 a-Alanine, conf. I
293333.4582 0.4534 -5.7815 3 447.1908327 89502 3035449 6 5349 5 a-Alanine, conf. I
293364.5251 0.7419 -4.7698 3 278.4173315 89502 303522132 512131 a-Alanine, conf. I
293420.4320 0.4243 -5.6905 3 439.6163327 89502 3035448 6 5348 5 a-Alanine, conf. I
293420.4320 0.4243 -5.6905 3 439.6163327 89502 3035448 7 5348 6 a-Alanine, conf. I
293453.8402 5.3953 -5.4518 3 521.9607429 89502 303712843 702942 a-Alanine, conf. I
293514.1811 0.3975 -5.6121 3 432.2011327 89502 3035447 7 5347 6 a-Alanine, conf. I
293514.1811 0.3975 -5.6121 3 432.2011327 89502 3035447 8 5347 7 a-Alanine, conf. I
293524.0203 0.0432 -5.2182 3 138.9306195 89502 3033226 6 3125 6 a-Alanine, conf. I
293524.0203 0.0432 -4.0929 3 138.9306195 89502 3033226 6 3125 7 a-Alanine, conf. I
293524.0203 0.0432 -4.0929 3 138.9306195 89502 3033226 7 3125 6 a-Alanine, conf. I
293524.0203 0.0432 -5.2182 3 138.9306195 89502 3033226 7 3125 7 a-Alanine, conf. I
293615.2994 0.3732 -5.5431 3 424.9455327 89502 3035446 8 5346 7 a-Alanine, conf. I
293615.2994 0.3732 -5.5431 3 424.9455327 89502 3035446 9 5346 8 a-Alanine, conf. I
293634.9350 4.3913 -5.9000 3 739.6818501 89502 303833846 823943 a-Alanine, conf. I
293634.9576 4.3914 -5.9000 3 739.6818501 89502 303833845 823944 a-Alanine, conf. I
293668.4173 4.5371 -5.9744 3 995.2609651 89502 303A81197 A81098 a-Alanine, conf. I
293668.4173 4.5371 -5.9744 3 995.2609651 89502 303A81297 A81198 a-Alanine, conf. I
293693.7696 0.4493 -4.7461 3 273.3300315 89502 303521934 511933 a-Alanine, conf. I
293702.4015 0.2975 -4.7066 3 312.2488375 89502 30362 458 61 457 a-Alanine, conf. I
293702.4015 0.2975 -4.1113 3 312.2488375 89502 30362 458 61 557 a-Alanine, conf. I
293702.4015 0.2975 -4.1113 3 312.2488375 89502 30362 558 61 457 a-Alanine, conf. I
293702.4015 0.2975 -4.7066 3 312.2488375 89502 30362 558 61 557 a-Alanine, conf. I
293724.4521 0.3517 -5.4812 3 417.8497327 89502 3035445 9 5345 8 a-Alanine, conf. I
293724.4521 0.3517 -5.4812 3 417.8497327 89502 303544510 5345 9 a-Alanine, conf. I
293778.6892 0.5642 -4.8576 3 304.5442321 89502 303532628 522627 a-Alanine, conf. I
293778.7705 0.5642 -4.8576 3 304.5442321 89502 303532627 522626 a-Alanine, conf. I
293806.3600 0.4946 -5.3207 3 164.9215249 89502 303411428 401328 a-Alanine, conf. I
293842.3873 0.3334 -5.4250 3 410.9141327 89502 303544410 5344 9 a-Alanine, conf. I
293842.3873 0.3334 -5.4250 3 410.9141327 89502 303544411 534410 a-Alanine, conf. I
293858.0449 0.6174 -4.5754 3 280.5780321 89502 303531736 521835 a-Alanine, conf. I
293960.0442 0.2996 -4.7361 3 270.6526315 89502 303521735 511734 a-Alanine, conf. I
293969.9490 0.3187 -5.3736 3 404.1391327 89502 303544311 534310 a-Alanine, conf. I
293969.9490 0.3187 -5.3736 3 404.1391327 89502 303544312 534311 a-Alanine, conf. I
293981.6808 0.2539 -4.3712 3 290.8840333 89502 303551441 541540 a-Alanine, conf. I
293982.4366 0.2539 -4.7486 3 290.8840333 89502 303551541 541540 a-Alanine, conf. I
293983.3790 0.2539 -4.7486 3 290.8839333 89502 303551441 541440 a-Alanine, conf. I
293984.1348 0.2539 -4.3712 3 290.8839333 89502 303551541 541440 a-Alanine, conf. I
294024.5021 1.6181 -6.0123 3 1118.7693567 89502 303946430 946331 a-Alanine, conf. I
294024.5021 1.6181 -6.0123 3 1118.7693567 89502 303946431 946332 a-Alanine, conf. I
294037.9346 5.3145 -5.8916 3 830.0368609 89502 303A1 695 A1 596 a-Alanine, conf. I
294037.9346 5.3145 -5.8916 3 830.0368609 89502 303A1 795 A1 696 a-Alanine, conf. I
294073.7735 0.2366 -5.8105 3 121.2928237 89502 30339 336 38 236 a-Alanine, conf. I
294073.7735 0.2366 -5.8105 3 121.2928237 89502 30339 436 38 336 a-Alanine, conf. I
294108.0930 0.3079 -5.3261 3 397.5252327 89502 303544212 534211 a-Alanine, conf. I
294108.0930 0.3079 -5.3261 3 397.5252327 89502 303544213 534212 a-Alanine, conf. I
294114.6841 0.2493 -4.7244 3 309.1254363 89502 30360 753 59 752 a-Alanine, conf. I
294114.6841 0.2493 -4.1701 3 309.1254363 89502 30360 753 59 852 a-Alanine, conf. I
294114.6841 0.2493 -4.1701 3 309.1254363 89502 30360 853 59 752 a-Alanine, conf. I
294114.6841 0.2493 -4.7244 3 309.1254363 89502 30360 853 59 852 a-Alanine, conf. I
294130.8078 4.3768 -5.8519 3 719.0155495 89502 303823746 813843 a-Alanine, conf. I
294130.9085 4.3769 -5.8519 3 719.0155495 89502 303823745 813844 a-Alanine, conf. I
294220.1491 1.5427 -5.9894 3 1101.7479561 89502 303936429 936330 a-Alanine, conf. I
294220.1491 1.5427 -5.9894 3 1101.7479561 89502 303936430 936331 a-Alanine, conf. I
294224.9414 0.0453 -5.2267 3 140.9516201 89502 3033325 8 3224 8 a-Alanine, conf. I
294224.9414 0.0453 -4.1181 3 140.9516201 89502 3033325 8 3224 9 a-Alanine, conf. I
294224.9414 0.0453 -4.1181 3 140.9516201 89502 3033325 9 3224 8 a-Alanine, conf. I
294224.9414 0.0453 -5.2267 3 140.9516201 89502 3033325 9 3224 9 a-Alanine, conf. I
294257.9067 0.3013 -5.2821 3 391.0728327 89502 303544113 534112 a-Alanine, conf. I
294257.9067 0.3013 -5.2821 3 391.0728327 89502 303544114 534113 a-Alanine, conf. I
294265.3287 0.6510 -4.7545 3 275.7973315 89502 303522033 512032 a-Alanine, conf. I
294330.1307 1.0447 -5.1100 3 119.4067213 89502 303351223 341124 a-Alanine, conf. I
294406.6664 5.9009 -6.0011 3 739.1623585 89502 30397 394 97 295 a-Alanine, conf. I
294406.6664 5.9009 -6.0011 3 739.1623585 89502 30397 494 97 395 a-Alanine, conf. I
294409.1493 1.4721 -5.9672 3 1084.9083555 89502 303926428 926329 a-Alanine, conf. I
294409.1493 1.4721 -5.9672 3 1084.9083555 89502 303926429 926330 a-Alanine, conf. I
294420.6321 0.2989 -5.2409 3 384.7825327 89502 303544014 534013 a-Alanine, conf. I
294420.6321 0.2989 -5.2409 3 384.7825327 89502 303544015 534014 a-Alanine, conf. I
294489.5357 0.5682 -4.6781 3 316.7196393 89502 30365 065 64 064 a-Alanine, conf. I
294489.5357 0.5682 -4.0421 3 316.7196393 89502 30365 065 64 164 a-Alanine, conf. I
294489.5357 0.5682 -4.0421 3 316.7196393 89502 30365 165 64 064 a-Alanine, conf. I
294489.5357 0.5682 -4.6781 3 316.7196393 89502 30365 165 64 164 a-Alanine, conf. I
294521.1468 0.2557 -4.7383 3 304.0732351 89502 303581048 571047 a-Alanine, conf. I
294521.1468 0.2557 -4.2396 3 304.0732351 89502 303581048 571147 a-Alanine, conf. I
294521.1468 0.2557 -4.2396 3 304.0732351 89502 303581148 571047 a-Alanine, conf. I
294521.1468 0.2557 -4.7383 3 304.0732351 89502 303581148 571147 a-Alanine, conf. I
294578.1275 0.9349 -5.3075 3 174.6369255 89502 303421428 411328 a-Alanine, conf. I
294589.5315 0.6102 -4.8371 3 300.8389321 89502 303532529 522528 a-Alanine, conf. I
294590.4306 0.6105 -4.8371 3 300.8389321 89502 303532528 522527 a-Alanine, conf. I
294591.6518 1.4064 -5.9460 3 1068.2505549 89502 303916427 916328 a-Alanine, conf. I
294591.6518 1.4064 -5.9460 3 1068.2505549 89502 303916428 916329 a-Alanine, conf. I
294597.6958 0.3009 -5.2023 3 378.6548327 89502 303543915 533914 a-Alanine, conf. I
294597.6958 0.3009 -5.2023 3 378.6548327 89502 303543916 533915 a-Alanine, conf. I
294674.9503 5.0015 -5.9071 3 898.0919627 89502 303A4 896 A4 797 a-Alanine, conf. I
294674.9503 5.0015 -5.9071 3 898.0919627 89502 303A4 996 A4 897 a-Alanine, conf. I
294682.9501 4.2881 -5.5366 3 570.2923447 89502 303743045 733142 a-Alanine, conf. I
294698.3628 1.0262 -4.7658 3 278.4654315 89502 303522131 512130 a-Alanine, conf. I
294746.0838 4.3738 -5.8043 3 698.6937489 89502 303813646 803743 a-Alanine, conf. I
294746.5175 4.3743 -5.8043 3 698.6937489 89502 303813645 803744 a-Alanine, conf. I
294754.9945 0.2607 -5.4196 3 147.3915243 89502 30340 931 39 831 a-Alanine, conf. I
294755.5687 0.2607 -5.4196 3 147.3915243 89502 303401031 39 931 a-Alanine, conf. I
294767.8032 1.3459 -5.9257 3 1051.7746543 89502 303906426 906327 a-Alanine, conf. I
294767.8032 1.3459 -5.9257 3 1051.7746543 89502 303906427 906328 a-Alanine, conf. I
294790.7447 0.3071 -5.1660 3 372.6906327 89502 303543816 533815 a-Alanine, conf. I
294790.7447 0.3071 -5.1660 3 372.6906327 89502 303543817 533816 a-Alanine, conf. I
294803.4623 7.5558 -5.3179 3 447.5329399 89502 303662541 652640 a-Alanine, conf. I
294881.1249 0.2789 -5.9709 3 117.5956237 89502 30339 237 38 137 a-Alanine, conf. I
294881.1249 0.2789 -5.9709 3 117.5956237 89502 30339 337 38 237 a-Alanine, conf. I
294897.7281 0.0502 -5.2350 3 143.3346207 89502 303342410 332310 a-Alanine, conf. I
294897.7281 0.0502 -4.1454 3 143.3346207 89502 303342410 332311 a-Alanine, conf. I
294897.7281 0.0502 -4.1454 3 143.3346207 89502 303342411 332310 a-Alanine, conf. I
294897.7281 0.0502 -5.2350 3 143.3346207 89502 303342411 332311 a-Alanine, conf. I
294937.7483 1.2910 -5.9063 3 1035.4804537 89502 303896425 896326 a-Alanine, conf. I
294937.7483 1.2910 -5.9063 3 1035.4804537 89502 303896426 896327 a-Alanine, conf. I
295001.6919 0.3171 -5.1317 3 366.8905327 89502 303543717 533716 a-Alanine, conf. I
295001.6919 0.3171 -5.1317 3 366.8905327 89502 303543718 533717 a-Alanine, conf. I
295040.0787 0.3463 -4.6999 3 316.1167381 89502 30363 360 62 359 a-Alanine, conf. I
295040.0787 0.3463 -4.0931 3 316.1167381 89502 30363 360 62 459 a-Alanine, conf. I
295040.0787 0.3463 -4.0931 3 316.1167381 89502 30363 460 62 359 a-Alanine, conf. I
295040.0787 0.3463 -4.6999 3 316.1167381 89502 30363 460 62 459 a-Alanine, conf. I
295101.6295 1.2419 -5.8879 3 1019.3681531 89502 303886424 886325 a-Alanine, conf. I
295101.6295 1.2419 -5.8879 3 1019.3681531 89502 303886425 886326 a-Alanine, conf. I
295124.0570 0.2477 -5.2827 3 179.2447255 89502 303421725 411625 a-Alanine, conf. I
295128.5428 0.2590 -4.3294 3 296.9878339 89502 303561343 551442 a-Alanine, conf. I
295128.5684 0.2590 -4.7470 3 296.9878339 89502 303561443 551442 a-Alanine, conf. I
295128.6032 0.2590 -4.7470 3 296.9878339 89502 303561343 551342 a-Alanine, conf. I
295128.6288 0.2590 -4.3294 3 296.9878339 89502 303561443 551342 a-Alanine, conf. I
295130.2728 4.7286 -5.9551 3 968.1599645 89502 303A71097 A7 998 a-Alanine, conf. I
295130.2728 4.7286 -5.9551 3 968.1599645 89502 303A71197 A71098 a-Alanine, conf. I
295210.9666 0.3676 -5.3061 3 95.3602195 89502 30332 923 31 824 a-Alanine, conf. I
295232.7751 0.3306 -5.0992 3 361.2554327 89502 303543618 533617 a-Alanine, conf. I
295232.7751 0.3306 -5.0992 3 361.2554327 89502 303543619 533618 a-Alanine, conf. I
295259.5871 1.1988 -5.8706 3 1003.4375525 89502 303876423 876324 a-Alanine, conf. I
295259.5871 1.1988 -5.8706 3 1003.4375525 89502 303876424 876325 a-Alanine, conf. I
295263.9268 4.6862 -5.5347 3 570.2910447 89502 303743044 733143 a-Alanine, conf. I
295294.1696 5.5713 -5.9137 3 804.5015603 89502 303A0 595 A0 496 a-Alanine, conf. I
295294.1696 5.5713 -5.9137 3 804.5015603 89502 303A0 695 A0 596 a-Alanine, conf. I
295411.7593 1.1622 -5.8544 3 987.6886519 89502 303866422 866323 a-Alanine, conf. I
295411.7593 1.1622 -5.8544 3 987.6886519 89502 303866423 866324 a-Alanine, conf. I
295479.7541 0.2591 -4.7187 3 313.6300369 89502 30361 655 60 654 a-Alanine, conf. I
295479.7541 0.2591 -4.1491 3 313.6300369 89502 30361 655 60 754 a-Alanine, conf. I
295479.7541 0.2591 -4.1491 3 313.6300369 89502 30361 755 60 654 a-Alanine, conf. I
295479.7541 0.2591 -4.7187 3 313.6300369 89502 30361 755 60 754 a-Alanine, conf. I
295486.6316 0.3472 -5.0685 3 355.7865327 89502 303543519 533518 a-Alanine, conf. I
295486.6316 0.3472 -5.0685 3 355.7865327 89502 303543520 533519 a-Alanine, conf. I
295504.3258 4.3851 -5.7574 3 678.7178483 89502 303803546 793643 a-Alanine, conf. I
295506.1262 4.3870 -5.7574 3 678.7178483 89502 303803545 793644 a-Alanine, conf. I
295526.5831 0.0562 -5.2429 3 146.0863213 89502 303352312 342212 a-Alanine, conf. I
295526.5831 0.0562 -4.1754 3 146.0863213 89502 303352312 342213 a-Alanine, conf. I
295526.5831 0.0562 -4.1754 3 146.0863213 89502 303352313 342212 a-Alanine, conf. I
295526.5831 0.0562 -5.2429 3 146.0863213 89502 303352313 342213 a-Alanine, conf. I
295558.2827 1.1321 -5.8393 3 972.1215513 89502 303856421 856322 a-Alanine, conf. I
295558.2827 1.1321 -5.8393 3 972.1215513 89502 303856422 856323 a-Alanine, conf. I
295562.1435 0.6645 -4.8173 3 297.3386321 89502 303532430 522429 a-Alanine, conf. I
295570.7371 0.6672 -4.8173 3 297.3388321 89502 303532429 522428 a-Alanine, conf. I
295651.4744 0.3434 -5.3052 3 95.3599195 89502 303321023 31 724 a-Alanine, conf. I
295699.2915 1.1087 -5.8255 3 956.7361507 89502 303846420 846321 a-Alanine, conf. I
295699.2915 1.1087 -5.8255 3 956.7361507 89502 303846421 846322 a-Alanine, conf. I
295766.3969 0.3667 -5.0392 3 350.4849327 89502 303543420 533419 a-Alanine, conf. I
295766.3969 0.3667 -5.0392 3 350.4849327 89502 303543421 533420 a-Alanine, conf. I
295828.4185 0.0861 -4.4198 3 165.8689243 89502 303401823 391722 a-Alanine, conf. I
295833.8400 1.0226 -5.4585 3 501.8377423 89502 303702645 692742 a-Alanine, conf. I
295834.9183 1.0920 -5.8130 3 941.5325501 89502 303836419 836320 a-Alanine, conf. I
295834.9183 1.0920 -5.8130 3 941.5325501 89502 303836420 836321 a-Alanine, conf. I
295845.1252 1.0918 -5.2893 3 184.4629261 89502 303431528 421428 a-Alanine, conf. I
295851.3499 0.2742 -4.7439 3 280.5780321 89502 303531836 521835 a-Alanine, conf. I
295875.4282 0.2562 -4.7339 3 309.2325357 89502 30359 950 58 949 a-Alanine, conf. I
295875.4282 0.2562 -4.2137 3 309.2325357 89502 30359 950 581049 a-Alanine, conf. I
295875.4282 0.2562 -4.2137 3 309.2325357 89502 303591050 58 949 a-Alanine, conf. I
295875.4282 0.2562 -4.7339 3 309.2325357 89502 303591050 581049 a-Alanine, conf. I
295954.1422 3.0487 -4.8078 3 305.8074333 89502 303551936 542035 a-Alanine, conf. I
295965.2937 1.0820 -5.8020 3 926.5105495 89502 303826418 826319 a-Alanine, conf. I
295965.2937 1.0820 -5.8020 3 926.5105495 89502 303826419 826320 a-Alanine, conf. I
295969.8132 0.0842 -5.2779 3 165.8689243 89502 303401822 391722 a-Alanine, conf. I
296011.9973 5.2455 -5.9064 3 871.8742621 89502 303A3 796 A3 697 a-Alanine, conf. I
296011.9973 5.2455 -5.9064 3 871.8742621 89502 303A3 896 A3 797 a-Alanine, conf. I
296036.9373 0.1555 -5.2816 3 171.1743249 89502 303411725 401625 a-Alanine, conf. I
296075.8357 0.3887 -5.0114 3 345.3521327 89502 303543321 533320 a-Alanine, conf. I
296075.8357 0.3887 -5.0114 3 345.3521327 89502 303543322 533321 a-Alanine, conf. I
296086.9074 0.0629 -4.2088 3 149.2155219 89502 303362215 352114 a-Alanine, conf. I
296086.9075 0.0629 -5.2504 3 149.2155219 89502 303362214 352114 a-Alanine, conf. I
296086.9077 0.0629 -4.2088 3 149.2155219 89502 303362214 352115 a-Alanine, conf. I
296086.9077 0.0629 -5.2504 3 149.2155219 89502 303362215 352115 a-Alanine, conf. I
296090.5109 0.4839 -5.3380 3 162.5431249 89502 303411229 401129 a-Alanine, conf. I
296090.5467 1.0786 -5.7925 3 911.6702489 89502 303816417 816318 a-Alanine, conf. I
296090.5467 1.0786 -5.7925 3 911.6702489 89502 303816418 816319 a-Alanine, conf. I
296160.2419 7.8135 -5.7047 3 542.5585441 89502 303732648 722745 a-Alanine, conf. I
296210.8042 1.0813 -5.7847 3 897.0116483 89502 303806416 806317 a-Alanine, conf. I
296210.8042 1.0813 -5.7847 3 897.0116483 89502 303806417 806318 a-Alanine, conf. I
296272.8599 0.2200 -5.4543 3 144.4230243 89502 30340 832 39 732 a-Alanine, conf. I
296272.8974 0.2200 -5.4543 3 144.4230243 89502 30340 932 39 832 a-Alanine, conf. I
296326.1916 1.0899 -5.7788 3 882.5347477 89502 303796415 796316 a-Alanine, conf. I
296326.1916 1.0899 -5.7788 3 882.5347477 89502 303796416 796317 a-Alanine, conf. I
296337.2701 0.0939 -5.2769 3 165.8519243 89502 303401823 391723 a-Alanine, conf. I
296362.2495 0.4123 -4.6931 3 319.7885387 89502 30364 262 63 261 a-Alanine, conf. I
296362.2495 0.4123 -4.0757 3 319.7885387 89502 30364 262 63 361 a-Alanine, conf. I
296362.2495 0.4123 -4.0757 3 319.7885387 89502 30364 362 63 261 a-Alanine, conf. I
296362.2495 0.4123 -4.6931 3 319.7885387 89502 30364 362 63 361 a-Alanine, conf. I
296373.2846 0.2632 -4.2940 3 302.8488345 89502 303571245 561344 a-Alanine, conf. I
296373.2853 0.2632 -4.7445 3 302.8488345 89502 303571345 561344 a-Alanine, conf. I
296373.2863 0.2632 -4.7445 3 302.8488345 89502 303571245 561244 a-Alanine, conf. I
296373.2870 0.2632 -4.2940 3 302.8488345 89502 303571345 561244 a-Alanine, conf. I
296374.0232 0.4517 -5.3372 3 162.5461249 89502 303411329 401229 a-Alanine, conf. I
296419.5207 0.4131 -4.9849 3 340.3897327 89502 303543222 533221 a-Alanine, conf. I
296419.5207 0.4131 -4.9849 3 340.3897327 89502 303543223 533222 a-Alanine, conf. I
296435.4954 4.4139 -5.7110 3 659.0896477 89502 303793446 783543 a-Alanine, conf. I
296436.8327 1.1040 -5.7748 3 868.2394471 89502 303786414 786315 a-Alanine, conf. I
296436.8327 1.1040 -5.7748 3 868.2394471 89502 303786415 786316 a-Alanine, conf. I
296442.6761 4.4209 -5.7110 3 659.0896477 89502 303793445 783544 a-Alanine, conf. I
296460.3563 0.2642 -4.4725 3 287.5927327 89502 303541638 531737 a-Alanine, conf. I
296478.6648 0.1040 -4.4183 3 165.8519243 89502 303401822 391723 a-Alanine, conf. I
296516.2680 5.8331 -5.9540 3 779.1815597 89502 30399 495 99 396 a-Alanine, conf. I
296516.2680 5.8331 -5.9540 3 779.1815597 89502 30399 595 99 496 a-Alanine, conf. I
296538.9117 0.0700 -4.2468 3 152.7344225 89502 303372117 362016 a-Alanine, conf. I
296538.9149 0.0700 -5.2576 3 152.7344225 89502 303372116 362016 a-Alanine, conf. I
296538.9291 0.0700 -5.2576 3 152.7344225 89502 303372117 362017 a-Alanine, conf. I
296538.9322 0.0700 -4.2468 3 152.7344225 89502 303372116 362017 a-Alanine, conf. I
296542.8493 1.1229 -5.7732 3 854.1257465 89502 303776413 776314 a-Alanine, conf. I
296542.8493 1.1229 -5.7732 3 854.1257465 89502 303776414 776315 a-Alanine, conf. I
296552.3550 4.9448 -5.9406 3 941.2666639 89502 303A6 997 A6 898 a-Alanine, conf. I
296552.3550 4.9448 -5.9406 3 941.2666639 89502 303A61097 A6 998 a-Alanine, conf. I
296586.7999 4.2048 -5.4962 3 552.5993441 89502 303732945 723042 a-Alanine, conf. I
296610.8590 0.2552 -4.7465 3 287.5927327 89502 303541738 531737 a-Alanine, conf. I
296644.3618 1.1463 -5.7741 3 840.1936459 89502 303766412 766313 a-Alanine, conf. I
296644.3618 1.1463 -5.7741 3 840.1936459 89502 303766413 766314 a-Alanine, conf. I
296669.1125 1.1525 -4.7205 3 264.2784309 89502 303511932 501931 a-Alanine, conf. I
296741.4890 1.1736 -5.7779 3 826.4431453 89502 303756411 756312 a-Alanine, conf. I
296741.4890 1.1736 -5.7779 3 826.4431453 89502 303756412 756313 a-Alanine, conf. I
296744.8754 0.7275 -4.7978 3 294.0562321 89502 303532331 522330 a-Alanine, conf. I
296761.8770 0.2527 -4.7460 3 287.5827327 89502 303541638 531637 a-Alanine, conf. I
296766.6942 0.0670 -5.1833 3 140.2541183 89502 3033029 1 2928 1 a-Alanine, conf. I
296766.6942 0.0670 -4.0241 3 140.2541183 89502 3033029 1 2928 2 a-Alanine, conf. I
296766.6942 0.0670 -4.0241 3 140.2541183 89502 3033029 2 2928 1 a-Alanine, conf. I
296766.6942 0.0670 -5.1833 3 140.2541183 89502 3033029 2 2928 2 a-Alanine, conf. I
296768.6083 0.0837 -4.3461 3 161.0212237 89502 303391921 381820 a-Alanine, conf. I
296774.4640 0.0840 -5.2709 3 161.0212237 89502 303391920 381820 a-Alanine, conf. I
296793.5267 0.0848 -5.2708 3 161.0203237 89502 303391921 381821 a-Alanine, conf. I
296799.3825 0.0851 -4.3460 3 161.0203237 89502 303391920 381821 a-Alanine, conf. I
296803.0812 0.4398 -4.9596 3 335.5997327 89502 303543123 533122 a-Alanine, conf. I
296803.0812 0.4398 -4.9596 3 335.5997327 89502 303543124 533123 a-Alanine, conf. I
296804.9274 0.3658 -4.7121 3 262.6792309 89502 303511833 501832 a-Alanine, conf. I
296813.8787 0.0775 -4.2914 3 156.6606231 89502 303382019 371918 a-Alanine, conf. I
296814.0425 0.0776 -5.2644 3 156.6606231 89502 303382018 371918 a-Alanine, conf. I
296814.5508 0.7474 -4.7976 3 294.0581321 89502 303532330 522329 a-Alanine, conf. I
296814.6781 0.0776 -5.2644 3 156.6606231 89502 303382019 371919 a-Alanine, conf. I
296814.8419 0.0776 -4.2913 3 156.6606231 89502 303382018 371919 a-Alanine, conf. I
296834.3480 1.2043 -5.7851 3 812.8741447 89502 303746410 746311 a-Alanine, conf. I
296834.3480 1.2043 -5.7851 3 812.8741447 89502 303746411 746312 a-Alanine, conf. I
296837.4168 0.2795 -4.7129 3 317.9365375 89502 30362 557 61 556 a-Alanine, conf. I
296837.4168 0.2795 -4.1294 3 317.9365375 89502 30362 557 61 656 a-Alanine, conf. I
296837.4168 0.2795 -4.1294 3 317.9365375 89502 30362 657 61 556 a-Alanine, conf. I
296837.4168 0.2795 -4.7129 3 317.9365375 89502 30362 657 61 656 a-Alanine, conf. I
296906.8488 4.7012 -6.0013 3 1012.6642657 89502 303A91198 A91099 a-Alanine, conf. I
296906.8488 4.7012 -6.0013 3 1012.6642657 89502 303A91298 A91199 a-Alanine, conf. I
296912.3798 0.2551 -4.4711 3 287.5827327 89502 303541738 531637 a-Alanine, conf. I
296923.0543 1.2379 -5.7962 3 799.4867441 89502 3037364 9 736310 a-Alanine, conf. I
296923.0543 1.2379 -5.7962 3 799.4867441 89502 303736410 736311 a-Alanine, conf. I
296928.2876 1.2869 -4.6124 3 260.9561309 89502 303511834 501733 a-Alanine, conf. I
296963.3590 7.3175 -5.3615 3 475.9019411 89502 303682642 672741 a-Alanine, conf. I
297007.7220 1.2740 -5.8120 3 786.2809435 89502 3037264 8 7263 9 a-Alanine, conf. I
297007.7220 1.2740 -5.8120 3 786.2809435 89502 3037264 9 726310 a-Alanine, conf. I
297081.2623 1.4420 -4.9326 3 143.2886231 89502 303381424 371325 a-Alanine, conf. I
297088.4636 1.3122 -5.8335 3 773.2565429 89502 3037164 7 7163 8 a-Alanine, conf. I
297088.4636 1.3122 -5.8335 3 773.2565429 89502 3037164 8 7163 9 a-Alanine, conf. I
297165.3901 1.3521 -5.8622 3 760.4137423 89502 3037064 6 7063 7 a-Alanine, conf. I
297165.3901 1.3521 -5.8622 3 760.4137423 89502 3037064 7 7063 8 a-Alanine, conf. I
297233.5575 0.4690 -4.9353 3 330.9846327 89502 303543025 533024 a-Alanine, conf. I
297233.5576 0.4690 -4.9353 3 330.9846327 89502 303543024 533023 a-Alanine, conf. I
297238.6110 1.3934 -5.9002 3 747.7523417 89502 3036964 5 6963 6 a-Alanine, conf. I
297238.6110 1.3934 -5.9002 3 747.7523417 89502 3036964 6 6963 7 a-Alanine, conf. I
297239.5176 0.2572 -4.7292 3 314.1856363 89502 30360 852 59 851 a-Alanine, conf. I
297239.5176 0.2572 -4.1900 3 314.1856363 89502 30360 852 59 951 a-Alanine, conf. I
297239.5176 0.2572 -4.1900 3 314.1856363 89502 30360 952 59 851 a-Alanine, conf. I
297239.5176 0.2572 -4.7292 3 314.1856363 89502 30360 952 59 951 a-Alanine, conf. I
297308.2343 1.4359 -5.9507 3 735.2724411 89502 3036864 4 6863 5 a-Alanine, conf. I
297308.2343 1.4359 -5.9507 3 735.2724411 89502 3036864 5 6863 6 a-Alanine, conf. I
297312.8328 5.5001 -5.9152 3 845.8688615 89502 303A2 696 A2 597 a-Alanine, conf. I
297312.8328 5.5001 -5.9152 3 845.8688615 89502 303A2 796 A2 697 a-Alanine, conf. I
297396.9179 0.2606 -4.4094 3 294.2876333 89502 303551540 541639 a-Alanine, conf. I
297405.0218 0.2605 -4.7479 3 294.2876333 89502 303551640 541639 a-Alanine, conf. I
297414.3302 0.2604 -4.7479 3 294.2870333 89502 303551540 541539 a-Alanine, conf. I
297422.4341 0.2603 -4.4093 3 294.2870333 89502 303551640 541539 a-Alanine, conf. I
297454.0357 0.2808 -4.7383 3 280.4581321 89502 303531736 521735 a-Alanine, conf. I
297499.5144 0.0534 -5.1924 3 141.4022189 89502 3033128 3 3027 3 a-Alanine, conf. I
297499.5144 0.0534 -4.0453 3 141.4022189 89502 3033128 3 3027 4 a-Alanine, conf. I
297499.5144 0.0534 -4.0453 3 141.4022189 89502 3033128 4 3027 3 a-Alanine, conf. I
297499.5144 0.0534 -5.1924 3 141.4022189 89502 3033128 4 3027 4 a-Alanine, conf. I
297556.0350 0.9262 -4.5833 3 270.6526315 89502 303521835 511734 a-Alanine, conf. I
297576.7274 4.4626 -5.6652 3 639.8112471 89502 303783346 773443 a-Alanine, conf. I
297601.2735 0.1933 -5.4962 3 141.3044243 89502 30340 733 39 633 a-Alanine, conf. I
297601.2755 0.1933 -5.4962 3 141.3044243 89502 30340 833 39 733 a-Alanine, conf. I
297604.1543 4.4874 -5.6652 3 639.8112471 89502 303783345 773444 a-Alanine, conf. I
297637.7437 0.5118 -5.2295 3 103.1839201 89502 303331023 32 924 a-Alanine, conf. I
297640.3337 1.4898 -4.6659 3 293.0911327 89502 303541836 531935 a-Alanine, conf. I
297666.9852 0.4955 -4.6861 3 323.2641393 89502 30365 164 64 163 a-Alanine, conf. I
297666.9852 0.4955 -4.0590 3 323.2641393 89502 30365 164 64 263 a-Alanine, conf. I
297666.9852 0.4955 -4.0590 3 323.2641393 89502 30365 264 64 163 a-Alanine, conf. I
297666.9852 0.4955 -4.6861 3 323.2641393 89502 30365 264 64 263 a-Alanine, conf. I
297676.0937 0.2660 -4.2631 3 308.4820351 89502 303581147 571246 a-Alanine, conf. I
297676.0937 0.2660 -4.7414 3 308.4820351 89502 303581247 571246 a-Alanine, conf. I
297676.0938 0.2660 -4.7414 3 308.4820351 89502 303581147 571146 a-Alanine, conf. I
297676.0938 0.2660 -4.2631 3 308.4820351 89502 303581247 571146 a-Alanine, conf. I
297719.9255 0.5008 -4.9121 3 326.5473327 89502 303542926 532925 a-Alanine, conf. I
297719.9256 0.5008 -4.9121 3 326.5473327 89502 303542925 532924 a-Alanine, conf. I
297739.5547 1.6215 -4.6396 3 251.3675303 89502 303501833 491732 a-Alanine, conf. I
297743.7195 0.7452 -5.1683 3 111.2014207 89502 303341123 331024 a-Alanine, conf. I
297904.5969 0.2217 -5.2741 3 187.3627261 89502 303431726 421626 a-Alanine, conf. I
297935.9714 5.1801 -5.9321 3 914.5824633 89502 303A5 897 A5 798 a-Alanine, conf. I
297935.9714 5.1801 -5.9321 3 914.5824633 89502 303A5 997 A5 898 a-Alanine, conf. I
298100.4627 0.2120 -5.5045 3 85.4163189 89502 30331 724 30 625 a-Alanine, conf. I
298108.8543 0.2116 -5.5045 3 85.4163189 89502 30331 824 30 525 a-Alanine, conf. I
298139.6174 0.7836 -4.7788 3 291.0075321 89502 303532232 522231 a-Alanine, conf. I
298184.1763 0.3141 -4.7068 3 322.0457381 89502 30363 459 62 458 a-Alanine, conf. I
298184.1763 0.3141 -4.1107 3 322.0457381 89502 30363 459 62 558 a-Alanine, conf. I
298184.1763 0.3141 -4.1107 3 322.0457381 89502 30363 559 62 458 a-Alanine, conf. I
298184.1763 0.3141 -4.7068 3 322.0457381 89502 30363 559 62 558 a-Alanine, conf. I
298202.1887 0.3912 -4.5307 3 171.1743249 89502 303411724 401625 a-Alanine, conf. I
298224.2717 0.0466 -5.2014 3 142.9015195 89502 3033227 5 3126 5 a-Alanine, conf. I
298224.2717 0.0466 -4.0678 3 142.9015195 89502 3033227 5 3126 6 a-Alanine, conf. I
298224.2717 0.0466 -4.0678 3 142.9015195 89502 3033227 6 3126 5 a-Alanine, conf. I
298224.2717 0.0466 -5.2014 3 142.9015195 89502 3033227 6 3126 6 a-Alanine, conf. I
298261.0748 3.7951 -5.4618 3 535.2783435 89502 303722845 712942 a-Alanine, conf. I
298273.8988 0.5358 -4.8899 3 322.2914327 89502 303542827 532826 a-Alanine, conf. I
298273.9001 0.5358 -4.8899 3 322.2914327 89502 303542826 532825 a-Alanine, conf. I
298377.6219 4.8993 -5.9814 3 985.3081651 89502 303A81098 A8 999 a-Alanine, conf. I
298377.6219 4.8993 -5.9814 3 985.3081651 89502 303A81198 A81099 a-Alanine, conf. I
298419.9778 5.3307 -5.4901 3 552.5948441 89502 303732944 723043 a-Alanine, conf. I
298426.3533 0.2663 -4.3614 3 300.6902339 89502 303561442 551541 a-Alanine, conf. I
298426.6862 0.2663 -4.7477 3 300.6902339 89502 303561542 551541 a-Alanine, conf. I
298427.1091 0.2663 -4.7477 3 300.6901339 89502 303561442 551441 a-Alanine, conf. I
298427.4420 0.2663 -4.3614 3 300.6901339 89502 303561542 551441 a-Alanine, conf. I
298445.8577 0.8518 -5.2671 3 194.3313267 89502 303441628 431528 a-Alanine, conf. I
298578.5890 5.7621 -5.9368 3 820.0773609 89502 303A1 596 A1 497 a-Alanine, conf. I
298578.5890 5.7621 -5.9368 3 820.0773609 89502 303A1 696 A1 597 a-Alanine, conf. I
298603.0236 0.9006 -4.7774 3 291.0224321 89502 303532231 522230 a-Alanine, conf. I
298605.5163 0.2614 -4.7242 3 318.9360369 89502 30361 754 60 753 a-Alanine, conf. I
298605.5163 0.2614 -4.1682 3 318.9360369 89502 30361 754 60 853 a-Alanine, conf. I
298605.5163 0.2614 -4.1682 3 318.9360369 89502 30361 854 60 753 a-Alanine, conf. I
298605.5163 0.2614 -4.7242 3 318.9360369 89502 30361 854 60 853 a-Alanine, conf. I
298647.2958 0.1452 -5.7978 3 75.4545183 89502 30330 525 29 426 a-Alanine, conf. I
298647.3661 0.1452 -5.7978 3 75.4545183 89502 30330 625 29 326 a-Alanine, conf. I
298647.6610 0.5142 -5.9114 3 472.5958333 89502 3035551 4 5451 3 a-Alanine, conf. I
298647.6610 0.5142 -5.9114 3 472.5958333 89502 3035551 5 5451 4 a-Alanine, conf. I
298687.2973 2.7245 -5.4423 3 518.3465429 89502 303712745 702842 a-Alanine, conf. I
298712.3308 2.0465 -5.5119 3 515.1490429 89502 303712646 702743 a-Alanine, conf. I
298714.7137 0.3885 -5.3573 3 159.9746249 89502 303411130 401030 a-Alanine, conf. I
298727.3117 0.4819 -5.8020 3 464.7061333 89502 3035550 5 5450 4 a-Alanine, conf. I
298727.3117 0.4819 -5.8020 3 464.7061333 89502 3035550 6 5450 5 a-Alanine, conf. I
298727.8048 0.4014 -4.7425 3 283.1266321 89502 303531935 521934 a-Alanine, conf. I
298748.2804 0.3844 -5.3572 3 159.9749249 89502 303411230 401130 a-Alanine, conf. I
298781.3019 0.1844 -5.5472 3 138.0417243 89502 30340 634 39 534 a-Alanine, conf. I
298781.3020 0.1844 -5.5472 3 138.0417243 89502 30340 734 39 634 a-Alanine, conf. I
298782.3046 0.0970 -5.9631 3 144.5917231 89502 303381523 371324 a-Alanine, conf. I
298813.0499 0.4516 -5.7106 3 456.9753333 89502 3035549 6 5449 5 a-Alanine, conf. I
298813.0499 0.4516 -5.7106 3 456.9753333 89502 3035549 7 5449 6 a-Alanine, conf. I
298894.5684 0.3872 -5.2846 3 176.8402255 89502 303421627 411527 a-Alanine, conf. I
298905.3816 0.4235 -5.6318 3 449.4038333 89502 3035548 7 5448 6 a-Alanine, conf. I
298905.3816 0.4235 -5.6318 3 449.4038333 89502 3035548 8 5448 7 a-Alanine, conf. I
298911.2150 0.5747 -4.8685 3 318.2215327 89502 303542728 532727 a-Alanine, conf. I
298911.2324 0.5747 -4.8685 3 318.2215327 89502 303542727 532726 a-Alanine, conf. I
298935.5764 0.0460 -5.2100 3 144.7554201 89502 3033326 7 3225 7 a-Alanine, conf. I
298935.5764 0.0460 -4.0918 3 144.7554201 89502 3033326 7 3225 8 a-Alanine, conf. I
298935.5764 0.0460 -4.0918 3 144.7554201 89502 3033326 8 3225 7 a-Alanine, conf. I
298935.5764 0.0460 -5.2100 3 144.7554201 89502 3033326 8 3225 8 a-Alanine, conf. I
298952.6477 0.5955 -4.6790 3 326.5428399 89502 30366 066 65 065 a-Alanine, conf. I
298952.6477 0.5955 -4.0429 3 326.5428399 89502 30366 066 65 165 a-Alanine, conf. I
298952.6477 0.5955 -4.0429 3 326.5428399 89502 30366 166 65 065 a-Alanine, conf. I
298952.6477 0.5955 -4.6790 3 326.5428399 89502 30366 166 65 165 a-Alanine, conf. I
298969.2557 4.5285 -5.6202 3 620.8852465 89502 303773246 763343 a-Alanine, conf. I
298983.5544 4.6091 -5.5933 3 528.7200435 89502 303722647 712744 a-Alanine, conf. I
299004.8706 0.3979 -5.5623 3 441.9917333 89502 3035547 8 5447 7 a-Alanine, conf. I
299004.8706 0.3979 -5.5623 3 441.9917333 89502 3035547 9 5447 8 a-Alanine, conf. I
299005.3552 0.3065 -5.1572 3 113.1120207 89502 303341322 331023 a-Alanine, conf. I
299012.8051 0.2673 -4.7378 3 313.8974357 89502 303591049 581048 a-Alanine, conf. I
299012.8051 0.2673 -4.2356 3 313.8974357 89502 303591049 581148 a-Alanine, conf. I
299012.8051 0.2673 -4.2356 3 313.8974357 89502 303591149 581048 a-Alanine, conf. I
299012.8051 0.2673 -4.7378 3 313.8974357 89502 303591149 581148 a-Alanine, conf. I
299069.1625 4.6116 -5.6199 3 620.8850465 89502 303773245 763344 a-Alanine, conf. I
299112.1471 0.3751 -5.5000 3 434.7394333 89502 3035546 9 5446 8 a-Alanine, conf. I
299112.1471 0.3751 -5.5000 3 434.7394333 89502 303554610 5446 9 a-Alanine, conf. I
299213.6409 0.4380 -4.5417 3 290.4466327 89502 303541737 531836 a-Alanine, conf. I
299227.9180 0.3556 -5.4435 3 427.6473333 89502 303554510 5445 9 a-Alanine, conf. I
299227.9180 0.3556 -5.4435 3 427.6473333 89502 303554511 544510 a-Alanine, conf. I
299282.3601 5.4298 -5.9309 3 888.1089627 89502 303A4 797 A4 698 a-Alanine, conf. I
299282.3601 5.4298 -5.9309 3 888.1089627 89502 303A4 897 A4 798 a-Alanine, conf. I
299305.6264 0.4197 -5.2267 3 103.1824201 89502 303331123 32 824 a-Alanine, conf. I
299315.7299 1.3775 -4.7374 3 276.0477315 89502 303522032 512031 a-Alanine, conf. I
299324.9245 1.4453 -5.9870 3 1094.7287555 89502 303926527 926428 a-Alanine, conf. I
299324.9245 1.4453 -5.9870 3 1094.7287555 89502 303926528 926429 a-Alanine, conf. I
299352.9784 0.3396 -5.3917 3 420.7156333 89502 303554411 544410 a-Alanine, conf. I
299352.9784 0.3396 -5.3917 3 420.7156333 89502 303554412 544411 a-Alanine, conf. I
299387.6159 0.5188 -5.2973 3 174.7219255 89502 303421528 411428 a-Alanine, conf. I
299447.3407 0.6267 -4.5560 3 280.4581321 89502 303531836 521735 a-Alanine, conf. I
299481.9722 0.7724 -4.7611 3 288.2029321 89502 303532133 522132 a-Alanine, conf. I
299488.2263 0.3275 -5.3438 3 413.9449333 89502 303554312 544311 a-Alanine, conf. I
299488.2263 0.3275 -5.3438 3 413.9449333 89502 303554313 544312 a-Alanine, conf. I
299490.2501 4.7138 -5.9986 3 797.6755519 89502 303864047 854144 a-Alanine, conf. I
299490.2526 4.7138 -5.9986 3 797.6755519 89502 303864046 854145 a-Alanine, conf. I
299496.9320 1.3853 -5.9663 3 1078.0771549 89502 303916526 916427 a-Alanine, conf. I
299496.9320 1.3853 -5.9663 3 1078.0771549 89502 303916527 916428 a-Alanine, conf. I
299517.2637 0.3654 -4.7005 3 325.9582387 89502 30364 361 63 360 a-Alanine, conf. I
299517.2637 0.3654 -4.0930 3 325.9582387 89502 30364 361 63 460 a-Alanine, conf. I
299517.2637 0.3654 -4.0930 3 325.9582387 89502 30364 461 63 360 a-Alanine, conf. I
299517.2637 0.3654 -4.7005 3 325.9582387 89502 30364 461 63 460 a-Alanine, conf. I
299597.0285 0.2714 -4.3220 3 306.8322345 89502 303571344 561443 a-Alanine, conf. I
299597.0393 0.2714 -4.7463 3 306.8322345 89502 303571444 561443 a-Alanine, conf. I
299597.0542 0.2714 -4.7463 3 306.8322345 89502 303571344 561343 a-Alanine, conf. I
299597.0649 0.2714 -4.3220 3 306.8322345 89502 303571444 561343 a-Alanine, conf. I
299625.4330 0.0497 -5.2185 3 146.9681207 89502 3033425 9 3324 9 a-Alanine, conf. I
299625.4330 0.0497 -4.1175 3 146.9681207 89502 3033425 9 332410 a-Alanine, conf. I
299625.4330 0.0497 -4.1175 3 146.9681207 89502 303342510 3324 9 a-Alanine, conf. I
299625.4330 0.0497 -5.2185 3 146.9681207 89502 303342510 332410 a-Alanine, conf. I
299634.6796 0.3196 -5.2993 3 407.3356333 89502 303554213 544212 a-Alanine, conf. I
299634.6796 0.3196 -5.2993 3 407.3356333 89502 303554214 544213 a-Alanine, conf. I
299653.7741 0.6189 -4.8478 3 314.3436327 89502 303542629 532628 a-Alanine, conf. I
299653.9818 0.6190 -4.8478 3 314.3436327 89502 303542628 532627 a-Alanine, conf. I
299662.9330 1.3312 -5.9466 3 1061.6070543 89502 303906525 906426 a-Alanine, conf. I
299662.9330 1.3312 -5.9466 3 1061.6070543 89502 303906526 906427 a-Alanine, conf. I
299793.4975 0.3161 -5.2577 3 400.8882333 89502 303554114 544113 a-Alanine, conf. I
299793.4975 0.3161 -5.2577 3 400.8882333 89502 303554115 544114 a-Alanine, conf. I
299808.8286 5.1218 -5.9665 3 958.1593645 89502 303A7 998 A7 899 a-Alanine, conf. I
299808.8286 5.1218 -5.9665 3 958.1593645 89502 303A71098 A7 999 a-Alanine, conf. I
299810.3423 6.0291 -5.9765 3 794.5009603 89502 303A0 496 A0 397 a-Alanine, conf. I
299810.3423 6.0291 -5.9765 3 794.5009603 89502 303A0 596 A0 497 a-Alanine, conf. I
299823.0630 1.2830 -5.9279 3 1045.3185537 89502 303896524 896425 a-Alanine, conf. I
299823.0630 1.2830 -5.9279 3 1045.3185537 89502 303896525 896426 a-Alanine, conf. I
299841.5043 0.1945 -5.6106 3 134.6397243 89502 30340 535 39 435 a-Alanine, conf. I
299841.5043 0.1945 -5.6106 3 134.6397243 89502 30340 635 39 535 a-Alanine, conf. I
299845.6659 1.8285 -4.6584 3 241.8978297 89502 303491832 481731 a-Alanine, conf. I
299877.1144 4.6876 -5.9490 3 776.1565513 89502 303853947 844044 a-Alanine, conf. I
299877.1261 4.6876 -5.9490 3 776.1565513 89502 303853946 844045 a-Alanine, conf. I
299905.7495 6.9754 -5.4026 3 505.1453423 89502 303702743 692842 a-Alanine, conf. I
299966.0057 0.3170 -5.2187 3 394.6033333 89502 303554015 544014 a-Alanine, conf. I
299966.0057 0.3170 -5.2187 3 394.6033333 89502 303554016 544015 a-Alanine, conf. I
299967.6882 0.2724 -4.7189 3 323.4862375 89502 30362 656 61 655 a-Alanine, conf. I
299967.6882 0.2724 -4.1479 3 323.4862375 89502 30362 656 61 755 a-Alanine, conf. I
299967.6882 0.2724 -4.1479 3 323.4862375 89502 30362 756 61 655 a-Alanine, conf. I
299967.6882 0.2724 -4.7189 3 323.4862375 89502 30362 756 61 755 a-Alanine, conf. I
299970.0867 0.6226 -4.7479 3 285.6129321 89502 303532034 522033 a-Alanine, conf. I
299977.4555 1.2411 -5.9102 3 1029.2116531 89502 303886523 886424 a-Alanine, conf. I
299977.4555 1.2411 -5.9102 3 1029.2116531 89502 303886524 886425 a-Alanine, conf. I
300126.2422 1.2058 -5.8936 3 1013.2863525 89502 303876522 876423 a-Alanine, conf. I
300126.2422 1.2058 -5.8936 3 1013.2863525 89502 303876523 876424 a-Alanine, conf. I
300153.7289 0.3221 -5.1820 3 388.4816333 89502 303553916 543915 a-Alanine, conf. I
300153.7289 0.3221 -5.1820 3 388.4816333 89502 303553917 543916 a-Alanine, conf. I
300189.8012 0.1155 -4.4387 3 173.3847249 89502 303411824 401723 a-Alanine, conf. I
300269.5530 1.1772 -5.8782 3 997.5425519 89502 303866521 866422 a-Alanine, conf. I
300269.5530 1.1772 -5.8782 3 997.5425519 89502 303866522 866423 a-Alanine, conf. I
300281.8794 0.0554 -5.2266 3 149.5454213 89502 303352411 342311 a-Alanine, conf. I
300281.8794 0.0554 -4.1456 3 149.5454213 89502 303352411 342312 a-Alanine, conf. I
300281.8794 0.0554 -4.1456 3 149.5454213 89502 303352412 342311 a-Alanine, conf. I
300281.8794 0.0554 -5.2266 3 149.5454213 89502 303352412 342312 a-Alanine, conf. I
300283.9050 0.2728 -4.7431 3 290.4466327 89502 303541837 531836 a-Alanine, conf. I
300358.4303 0.3313 -5.1473 3 382.5237333 89502 303553817 543816 a-Alanine, conf. I
300358.4303 0.3313 -5.1473 3 382.5237333 89502 303553818 543817 a-Alanine, conf. I
300359.7420 4.6705 -5.8999 3 754.9805507 89502 303843847 833944 a-Alanine, conf. I
300359.7951 4.6706 -5.8999 3 754.9805507 89502 303843846 833945 a-Alanine, conf. I
300367.9739 0.2677 -4.7337 3 319.1019363 89502 30360 951 59 950 a-Alanine, conf. I
300367.9739 0.2677 -4.2108 3 319.1019363 89502 30360 951 591050 a-Alanine, conf. I
300367.9739 0.2677 -4.2108 3 319.1019363 89502 303601051 59 950 a-Alanine, conf. I
300367.9739 0.2677 -4.7337 3 319.1019363 89502 303601051 591050 a-Alanine, conf. I
300407.5159 1.1554 -5.8641 3 981.9803513 89502 303856520 856421 a-Alanine, conf. I
300407.5159 1.1554 -5.8641 3 981.9803513 89502 303856521 856422 a-Alanine, conf. I
300506.6138 0.0944 -5.2707 3 173.3847249 89502 303411823 401723 a-Alanine, conf. I
300533.0753 0.6703 -4.8278 3 310.6654327 89502 303542530 532529 a-Alanine, conf. I
300535.2332 0.6711 -4.8278 3 310.6654327 89502 303542529 532528 a-Alanine, conf. I
300540.2574 1.1404 -5.8513 3 966.5996507 89502 303846519 846420 a-Alanine, conf. I
300540.2574 1.1404 -5.8513 3 966.5996507 89502 303846520 846421 a-Alanine, conf. I
300582.1618 0.3442 -5.1145 3 376.7307333 89502 303553718 543717 a-Alanine, conf. I
300582.1618 0.3442 -5.1145 3 376.7307333 89502 303553719 543718 a-Alanine, conf. I
300592.6954 5.6899 -5.9392 3 861.8475621 89502 303A3 697 A3 598 a-Alanine, conf. I
300592.6954 5.6899 -5.9392 3 861.8475621 89502 303A3 797 A3 698 a-Alanine, conf. I
300641.8592 4.5908 -5.5761 3 602.3150459 89502 303763146 753243 a-Alanine, conf. I
300667.9022 1.1322 -5.8399 3 951.4005501 89502 303836518 836419 a-Alanine, conf. I
300667.9022 1.1322 -5.8399 3 951.4005501 89502 303836519 836420 a-Alanine, conf. I
300700.3540 0.6396 -5.3142 3 172.4196255 89502 303421329 411229 a-Alanine, conf. I
300753.2390 0.3226 -5.3814 3 157.2235249 89502 303411031 40 931 a-Alanine, conf. I
300756.3963 0.3222 -5.3814 3 157.2235249 89502 303411131 401031 a-Alanine, conf. I
300790.5733 1.1305 -5.8300 3 936.3829495 89502 303826517 826418 a-Alanine, conf. I
300790.5733 1.1305 -5.8300 3 936.3829495 89502 303826518 826419 a-Alanine, conf. I
300802.7749 0.2209 -5.6917 3 131.1021243 89502 30340 436 39 336 a-Alanine, conf. I
300802.7749 0.2209 -5.6917 3 131.1021243 89502 30340 536 39 436 a-Alanine, conf. I
300827.3286 0.3604 -5.0833 3 371.1033333 89502 303553619 543618 a-Alanine, conf. I
300827.3286 0.3604 -5.0833 3 371.1033333 89502 303553620 543619 a-Alanine, conf. I
300834.4259 0.4342 -4.6940 3 329.6741393 89502 30365 263 64 262 a-Alanine, conf. I
300834.4259 0.4342 -4.0761 3 329.6741393 89502 30365 263 64 362 a-Alanine, conf. I
300834.4259 0.4342 -4.0761 3 329.6741393 89502 30365 363 64 262 a-Alanine, conf. I
300834.4259 0.4342 -4.6940 3 329.6741393 89502 30365 363 64 362 a-Alanine, conf. I
300854.7912 0.2755 -4.2883 3 312.7348351 89502 303581246 571345 a-Alanine, conf. I
300854.7914 0.2755 -4.7441 3 312.7348351 89502 303581346 571345 a-Alanine, conf. I
300854.7919 0.2755 -4.7441 3 312.7348351 89502 303581246 571245 a-Alanine, conf. I
300854.7921 0.2755 -4.2883 3 312.7348351 89502 303581346 571245 a-Alanine, conf. I
300864.4792 0.2277 -4.7149 3 272.5795315 89502 303521834 511833 a-Alanine, conf. I
300886.7119 0.0620 -5.2345 3 152.4944219 89502 303362313 352213 a-Alanine, conf. I
300886.7119 0.0620 -4.1764 3 152.4944219 89502 303362313 352214 a-Alanine, conf. I
300886.7119 0.0620 -4.1764 3 152.4944219 89502 303362314 352213 a-Alanine, conf. I
300886.7119 0.0620 -5.2345 3 152.4944219 89502 303362314 352214 a-Alanine, conf. I
300896.3312 0.2706 -4.4552 3 297.4866333 89502 303551639 541738 a-Alanine, conf. I
300908.3922 1.1351 -5.8219 3 921.5468489 89502 303816516 816417 a-Alanine, conf. I
300908.3922 1.1351 -5.8219 3 921.5468489 89502 303816517 816418 a-Alanine, conf. I
300955.1866 4.6647 -5.8514 3 734.1486501 89502 303833747 823844 a-Alanine, conf. I
300955.4188 4.6650 -5.8514 3 734.1486501 89502 303833746 823845 a-Alanine, conf. I
300970.1121 0.2673 -4.7461 3 297.4866333 89502 303551739 541738 a-Alanine, conf. I
300986.9997 4.8529 -5.5750 3 602.3143459 89502 303763145 753244 a-Alanine, conf. I
301021.4789 1.1454 -5.8156 3 906.8922483 89502 303806515 806416 a-Alanine, conf. I
301021.4789 1.1454 -5.8156 3 906.8922483 89502 303806516 806417 a-Alanine, conf. I
301046.8339 0.2659 -4.7458 3 297.4816333 89502 303551639 541638 a-Alanine, conf. I
301096.7725 0.3796 -5.0537 3 365.6429333 89502 303553520 543519 a-Alanine, conf. I
301096.7725 0.3796 -5.0537 3 365.6429333 89502 303553521 543520 a-Alanine, conf. I
301106.7610 0.1076 -5.2633 3 195.7179267 89502 303441727 431627 a-Alanine, conf. I
301120.6148 0.2657 -4.4545 3 297.4816333 89502 303551739 541638 a-Alanine, conf. I
301129.9515 1.1612 -5.8113 3 892.4191477 89502 303796514 796415 a-Alanine, conf. I
301129.9515 1.1612 -5.8113 3 892.4191477 89502 303796515 796416 a-Alanine, conf. I
301167.6682 13.3676 -5.9006 3 602.5372465 89502 303772751 762848 a-Alanine, conf. I
301201.7554 5.3630 -5.9575 3 931.2195639 89502 303A6 898 A6 799 a-Alanine, conf. I
301201.7554 5.3630 -5.9575 3 931.2195639 89502 303A6 998 A6 899 a-Alanine, conf. I
301206.9459 0.2701 -4.7400 3 290.3801327 89502 303541737 531736 a-Alanine, conf. I
301233.9268 1.1818 -5.8093 3 878.1274471 89502 303786513 786414 a-Alanine, conf. I
301233.9268 1.1818 -5.8093 3 878.1274471 89502 303786514 786415 a-Alanine, conf. I
301265.0004 0.1052 -5.2688 3 173.3488249 89502 303411824 401724 a-Alanine, conf. I
301300.6812 4.2390 -4.8900 3 329.3439345 89502 303572037 562136 a-Alanine, conf. I
301321.7207 0.2945 -4.7134 3 327.8379381 89502 30363 558 62 557 a-Alanine, conf. I
301321.7207 0.2945 -4.1288 3 327.8379381 89502 30363 558 62 657 a-Alanine, conf. I
301321.7207 0.2945 -4.1288 3 327.8379381 89502 30363 658 62 557 a-Alanine, conf. I
301321.7207 0.2945 -4.7134 3 327.8379381 89502 30363 658 62 657 a-Alanine, conf. I
301333.5201 1.2068 -5.8099 3 864.0173465 89502 303776512 776413 a-Alanine, conf. I
301333.5201 1.2068 -5.8099 3 864.0173465 89502 303776513 776414 a-Alanine, conf. I
301388.7595 0.2125 -5.2731 3 178.8979255 89502 303421726 411626 a-Alanine, conf. I
301393.8821 0.4014 -5.0255 3 360.3506333 89502 303553421 543420 a-Alanine, conf. I
301393.8821 0.4014 -5.0255 3 360.3506333 89502 303553422 543421 a-Alanine, conf. I
301395.7908 0.0772 -5.9931 3 77.6100171 89502 303281315 271018 a-Alanine, conf. I
301411.4467 0.0690 -4.2110 3 155.8252225 89502 303372216 362115 a-Alanine, conf. I
301411.4468 0.0690 -5.2420 3 155.8252225 89502 303372215 362115 a-Alanine, conf. I
301411.4476 0.0690 -5.2420 3 155.8252225 89502 303372216 362116 a-Alanine, conf. I
301411.4477 0.0690 -4.2110 3 155.8252225 89502 303372215 362116 a-Alanine, conf. I
301428.8453 1.2357 -5.8134 3 850.0886459 89502 303766511 766412 a-Alanine, conf. I
301428.8453 1.2357 -5.8134 3 850.0886459 89502 303766512 766413 a-Alanine, conf. I
301456.4080 0.0803 -5.1670 3 144.7121183 89502 3033030 0 2929 0 a-Alanine, conf. I
301456.4080 0.0803 -4.0021 3 144.7121183 89502 3033030 0 2929 1 a-Alanine, conf. I
301456.4080 0.0803 -4.0021 3 144.7121183 89502 3033030 1 2929 0 a-Alanine, conf. I
301456.4080 0.0803 -5.1670 3 144.7121183 89502 3033030 1 2929 1 a-Alanine, conf. I
301520.0145 1.2679 -5.8202 3 836.3413453 89502 303756510 756411 a-Alanine, conf. I
301520.0145 1.2679 -5.8202 3 836.3413453 89502 303756511 756412 a-Alanine, conf. I
301581.8130 0.1334 -4.4357 3 173.3488249 89502 303411823 401724 a-Alanine, conf. I
301593.4526 0.7314 -4.8082 3 307.1975327 89502 303542431 532430 a-Alanine, conf. I
301607.1387 1.3030 -5.8310 3 822.7754447 89502 3037465 9 746410 a-Alanine, conf. I
301607.1387 1.3030 -5.8310 3 822.7754447 89502 303746510 746411 a-Alanine, conf. I
301612.7408 0.7375 -4.8081 3 307.1980327 89502 303542430 532429 a-Alanine, conf. I
301680.9520 0.2585 -5.8010 3 127.4318243 89502 30340 337 39 237 a-Alanine, conf. I
301680.9520 0.2585 -5.8010 3 127.4318243 89502 30340 437 39 337 a-Alanine, conf. I
301684.9532 4.6729 -5.8035 3 713.6623495 89502 303823647 813744 a-Alanine, conf. I
301685.9311 4.6740 -5.8035 3 713.6623495 89502 303823646 813745 a-Alanine, conf. I
301689.1710 0.5280 -5.3116 3 172.4321255 89502 303421429 411329 a-Alanine, conf. I
301690.3273 1.3406 -5.8465 3 809.3910441 89502 3037365 8 7364 9 a-Alanine, conf. I
301690.3273 1.3406 -5.8465 3 809.3910441 89502 3037365 9 736410 a-Alanine, conf. I
301722.7403 0.4258 -4.9986 3 355.2281333 89502 303553322 543321 a-Alanine, conf. I
301722.7403 0.4258 -4.9986 3 355.2281333 89502 303553323 543322 a-Alanine, conf. I
301731.1711 0.2690 -4.7293 3 324.1004369 89502 30361 853 60 852 a-Alanine, conf. I
301731.1711 0.2690 -4.1880 3 324.1004369 89502 30361 853 60 952 a-Alanine, conf. I
301731.1711 0.2690 -4.1880 3 324.1004369 89502 30361 953 60 852 a-Alanine, conf. I
301731.1711 0.2690 -4.7293 3 324.1004369 89502 30361 953 60 952 a-Alanine, conf. I
301769.6883 1.3803 -5.8676 3 796.1880435 89502 3037265 7 7264 8 a-Alanine, conf. I
301769.6883 1.3803 -5.8676 3 796.1880435 89502 3037265 8 7264 9 a-Alanine, conf. I
301784.3331 0.0890 -4.3563 3 168.2800243 89502 303401922 391821 a-Alanine, conf. I
301799.2434 0.0897 -5.2627 3 168.2800243 89502 303401921 391821 a-Alanine, conf. I
301809.5158 1.2459 -4.7540 3 288.2955321 89502 303532132 522131 a-Alanine, conf. I
301809.5163 0.0766 -4.2507 3 159.5511231 89502 303382118 372017 a-Alanine, conf. I
301809.5266 0.0766 -5.2492 3 159.5511231 89502 303382117 372017 a-Alanine, conf. I
301809.5708 0.0766 -5.2492 3 159.5511231 89502 303382118 372018 a-Alanine, conf. I
301809.5811 0.0766 -4.2507 3 159.5511231 89502 303382117 372018 a-Alanine, conf. I
301812.9993 0.2732 -4.3977 3 304.2079339 89502 303561541 551640 a-Alanine, conf. I
301816.7229 0.2732 -4.7475 3 304.2079339 89502 303561641 551640 a-Alanine, conf. I
301821.1033 0.2732 -4.7475 3 304.2077339 89502 303561541 551540 a-Alanine, conf. I
301824.8269 0.2731 -4.3977 3 304.2077339 89502 303561641 551540 a-Alanine, conf. I
301844.9148 0.0916 -5.2626 3 168.2779243 89502 303401922 391822 a-Alanine, conf. I
301845.3284 1.4216 -5.8960 3 783.1663429 89502 3037165 6 7164 7 a-Alanine, conf. I
301845.3284 1.4216 -5.8960 3 783.1663429 89502 3037165 7 7164 8 a-Alanine, conf. I
301859.8251 0.0925 -4.3561 3 168.2779243 89502 303401921 391822 a-Alanine, conf. I
301868.0929 5.9573 -5.9602 3 835.7996615 89502 303A2 597 A2 498 a-Alanine, conf. I
301868.0929 5.9573 -5.9602 3 835.7996615 89502 303A2 697 A2 598 a-Alanine, conf. I
301917.3527 1.4644 -5.9336 3 770.3261423 89502 3037065 5 7064 6 a-Alanine, conf. I
301917.3527 1.4644 -5.9336 3 770.3261423 89502 3037065 6 7064 7 a-Alanine, conf. I
301985.8653 1.5084 -5.9838 3 757.6671417 89502 3036965 4 6964 5 a-Alanine, conf. I
301985.8653 1.5084 -5.9838 3 757.6671417 89502 3036965 5 6964 6 a-Alanine, conf. I
301998.2965 0.0843 -4.2976 3 163.6922237 89502 303392020 381919 a-Alanine, conf. I
301998.7682 0.0843 -5.2560 3 163.6922237 89502 303392019 381919 a-Alanine, conf. I
302000.5055 0.0844 -5.2560 3 163.6921237 89502 303392020 381920 a-Alanine, conf. I
302000.9773 0.0844 -4.2976 3 163.6921237 89502 303392019 381920 a-Alanine, conf. I
302088.3271 0.4525 -4.9729 3 350.2772333 89502 303553223 543222 a-Alanine, conf. I
302088.3271 0.4525 -4.9729 3 350.2772333 89502 303553224 543223 a-Alanine, conf. I
302133.7833 0.5204 -4.6873 3 333.1932399 89502 30366 165 65 164 a-Alanine, conf. I
302133.7833 0.5204 -4.0599 3 333.1932399 89502 30366 165 65 264 a-Alanine, conf. I
302133.7833 0.5204 -4.0599 3 333.1932399 89502 30366 265 65 164 a-Alanine, conf. I
302133.7833 0.5204 -4.6873 3 333.1932399 89502 30366 265 65 264 a-Alanine, conf. I
302164.3283 0.2780 -4.7412 3 318.4114357 89502 303591148 581147 a-Alanine, conf. I
302164.3283 0.2780 -4.2588 3 318.4114357 89502 303591148 581247 a-Alanine, conf. I
302164.3283 0.2780 -4.2588 3 318.4114357 89502 303591248 581147 a-Alanine, conf. I
302164.3283 0.2780 -4.7412 3 318.4114357 89502 303591248 581247 a-Alanine, conf. I
302191.5503 0.0629 -5.1761 3 145.6979189 89502 3033129 2 3028 2 a-Alanine, conf. I
302191.5503 0.0629 -4.0225 3 145.6979189 89502 3033129 2 3028 3 a-Alanine, conf. I
302191.5503 0.0629 -4.0225 3 145.6979189 89502 3033129 3 3028 2 a-Alanine, conf. I
302191.5503 0.0629 -5.1761 3 145.6979189 89502 3033129 3 3028 3 a-Alanine, conf. I
302277.2100 0.4283 -4.5316 3 290.3801327 89502 303541837 531736 a-Alanine, conf. I
302462.0304 0.2704 -5.4105 3 154.3056249 89502 30341 932 40 832 a-Alanine, conf. I
302462.2713 0.2703 -5.4105 3 154.3056249 89502 303411032 40 932 a-Alanine, conf. I
302488.3768 0.3034 -5.9614 3 123.6311243 89502 30340 238 39 138 a-Alanine, conf. I
302488.3768 0.3034 -5.9614 3 123.6311243 89502 30340 338 39 238 a-Alanine, conf. I
302496.8033 0.4816 -4.9483 3 345.5000333 89502 303553124 543123 a-Alanine, conf. I
302496.8033 0.4816 -4.9483 3 345.5000333 89502 303553125 543124 a-Alanine, conf. I
302557.3490 4.5822 -5.5338 3 584.1054453 89502 303753046 743143 a-Alanine, conf. I
302557.6213 5.6183 -5.9558 3 904.4902633 89502 303A5 798 A5 699 a-Alanine, conf. I
302557.6213 5.6183 -5.9558 3 904.4902633 89502 303A5 898 A5 799 a-Alanine, conf. I
302576.3872 4.6984 -5.7562 3 693.5231489 89502 303813547 803644 a-Alanine, conf. I
302580.3499 4.7027 -5.7562 3 693.5231489 89502 303813546 803645 a-Alanine, conf. I
302620.1302 0.2818 -5.3931 3 93.0881195 89502 30332 824 31 725 a-Alanine, conf. I
302664.2691 0.3314 -4.7076 3 331.9920387 89502 30364 460 63 459 a-Alanine, conf. I
302664.2691 0.3314 -4.1108 3 331.9920387 89502 30364 460 63 559 a-Alanine, conf. I
302664.2691 0.3314 -4.1108 3 331.9920387 89502 30364 560 63 459 a-Alanine, conf. I
302664.2691 0.3314 -4.7076 3 331.9920387 89502 30364 560 63 559 a-Alanine, conf. I
302665.2589 0.2792 -5.3930 3 93.0881195 89502 30332 924 31 625 a-Alanine, conf. I
302755.9137 1.8490 -4.6619 3 232.5711291 89502 303481831 471730 a-Alanine, conf. I
302876.4924 0.2790 -4.3528 3 310.6446345 89502 303571443 561542 a-Alanine, conf. I
302876.6375 0.2790 -4.7474 3 310.6446345 89502 303571543 561542 a-Alanine, conf. I
302876.8253 0.2790 -4.7474 3 310.6446345 89502 303571443 561442 a-Alanine, conf. I
302876.9704 0.2790 -4.3528 3 310.6446345 89502 303571543 561442 a-Alanine, conf. I
302878.7058 0.7991 -4.7890 3 303.9545327 89502 303542332 532331 a-Alanine, conf. I
302920.7269 0.0521 -5.1851 3 147.0334195 89502 3033228 4 3127 4 a-Alanine, conf. I
302920.7269 0.0521 -4.0440 3 147.0334195 89502 3033228 4 3127 5 a-Alanine, conf. I
302920.7269 0.0521 -4.0440 3 147.0334195 89502 3033228 5 3127 4 a-Alanine, conf. I
302920.7269 0.0521 -5.1851 3 147.0334195 89502 3033228 5 3127 5 a-Alanine, conf. I
302940.5648 1.1796 -4.6940 3 169.1397249 89502 303411625 401526 a-Alanine, conf. I
302955.9222 0.5134 -4.9247 3 340.8993333 89502 303553025 543024 a-Alanine, conf. I
302955.9222 0.5134 -4.9247 3 340.8993333 89502 303553026 543025 a-Alanine, conf. I
303023.7969 0.8409 -4.7886 3 303.9588327 89502 303542331 532330 a-Alanine, conf. I
303048.2692 0.4682 -5.1641 3 111.1945207 89502 303341223 33 924 a-Alanine, conf. I
303095.0304 0.2739 -4.7246 3 328.8964375 89502 30362 755 61 754 a-Alanine, conf. I
303095.0304 0.2739 -4.1670 3 328.8964375 89502 30362 755 61 854 a-Alanine, conf. I
303095.0304 0.2739 -4.1670 3 328.8964375 89502 30362 855 61 754 a-Alanine, conf. I
303095.0304 0.2739 -4.7246 3 328.8964375 89502 30362 855 61 854 a-Alanine, conf. I
303399.7344 0.9588 -4.7095 3 274.1742315 89502 303521933 511932 a-Alanine, conf. I
303413.7319 0.6237 -4.6805 3 336.5147405 89502 30367 067 66 066 a-Alanine, conf. I
303413.7319 0.6237 -4.0443 3 336.5147405 89502 30367 067 66 166 a-Alanine, conf. I
303413.7319 0.6237 -4.0443 3 336.5147405 89502 30367 167 66 066 a-Alanine, conf. I
303413.7319 0.6237 -4.6805 3 336.5147405 89502 30367 167 66 166 a-Alanine, conf. I
303475.6427 0.5480 -4.9021 3 336.4782333 89502 303552927 542926 a-Alanine, conf. I
303475.6430 0.5480 -4.9021 3 336.4782333 89502 303552926 542925 a-Alanine, conf. I
303503.9675 0.2791 -4.7379 3 323.8713363 89502 303601050 591049 a-Alanine, conf. I
303503.9675 0.2791 -4.2325 3 323.8713363 89502 303601050 591149 a-Alanine, conf. I
303503.9675 0.2791 -4.2325 3 323.8713363 89502 303601150 591049 a-Alanine, conf. I
303503.9675 0.2791 -4.7379 3 323.8713363 89502 303601150 591149 a-Alanine, conf. I
303539.5353 0.3603 -4.7406 3 293.0911327 89502 303541936 531935 a-Alanine, conf. I
303580.9932 6.6457 -5.4431 3 535.2629435 89502 303722844 712943 a-Alanine, conf. I
303639.7092 0.0482 -5.1939 3 148.7215201 89502 3033327 6 3226 6 a-Alanine, conf. I
303639.7092 0.0482 -4.0669 3 148.7215201 89502 3033327 6 3226 7 a-Alanine, conf. I
303639.7092 0.0482 -4.0669 3 148.7215201 89502 3033327 7 3226 6 a-Alanine, conf. I
303639.7092 0.0482 -5.1939 3 148.7215201 89502 3033327 7 3226 7 a-Alanine, conf. I
303663.9452 4.7446 -5.7095 3 673.7330483 89502 303803447 793544 a-Alanine, conf. I
303679.0282 5.3520 -5.5302 3 584.1028453 89502 303753045 743144 a-Alanine, conf. I
303679.3497 4.7598 -5.7095 3 673.7330483 89502 303803446 793545 a-Alanine, conf. I
303877.5832 5.8839 -5.9636 3 877.9726627 89502 303A4 698 A4 599 a-Alanine, conf. I
303877.5832 5.8839 -5.9636 3 877.9726627 89502 303A4 798 A4 699 a-Alanine, conf. I
303940.2900 0.2303 -5.4454 3 151.2313249 89502 30341 833 40 733 a-Alanine, conf. I
303940.3050 0.2303 -5.4454 3 151.2313249 89502 30341 933 40 833 a-Alanine, conf. I
303968.8923 0.1721 -5.6330 3 82.9488189 89502 30331 625 30 526 a-Alanine, conf. I
303969.4334 0.1721 -5.6330 3 82.9488189 89502 30331 725 30 426 a-Alanine, conf. I
303992.6652 0.3853 -4.7016 3 335.9490393 89502 30365 362 64 361 a-Alanine, conf. I
303992.6652 0.3853 -4.0936 3 335.9490393 89502 30365 362 64 461 a-Alanine, conf. I
303992.6652 0.3853 -4.0936 3 335.9490393 89502 30365 462 64 361 a-Alanine, conf. I
303992.6652 0.3853 -4.7016 3 335.9490393 89502 30365 462 64 461 a-Alanine, conf. I
304037.3968 0.2012 -4.4626 3 181.1212255 89502 303421825 411724 a-Alanine, conf. I
304041.0662 0.5453 -5.9333 3 490.6036339 89502 3035652 4 5552 3 a-Alanine, conf. I
304041.0662 0.5453 -5.9333 3 490.6036339 89502 3035652 5 5552 4 a-Alanine, conf. I
304065.9204 1.3447 -5.0441 3 134.4491225 89502 303371324 361225 a-Alanine, conf. I
304068.0821 0.2841 -4.3156 3 316.8257351 89502 303581345 571444 a-Alanine, conf. I
304068.0865 0.2841 -4.7462 3 316.8257351 89502 303581445 571444 a-Alanine, conf. I
304068.0928 0.2841 -4.7462 3 316.8257351 89502 303581345 571344 a-Alanine, conf. I
304068.0973 0.2841 -4.3156 3 316.8257351 89502 303581445 571344 a-Alanine, conf. I
304069.0857 0.5862 -4.8804 3 332.2408333 89502 303552828 542827 a-Alanine, conf. I
304069.0893 0.5862 -4.8804 3 332.2408333 89502 303552827 542826 a-Alanine, conf. I
304099.7154 0.8892 -5.2962 3 182.4499261 89502 303431429 421329 a-Alanine, conf. I
304100.0944 0.3480 -4.5154 3 300.4630333 89502 303551738 541837 a-Alanine, conf. I
304119.6476 0.5116 -5.8234 3 482.5576339 89502 3035651 5 5551 4 a-Alanine, conf. I
304119.6476 0.5116 -5.8234 3 482.5576339 89502 3035651 6 5551 5 a-Alanine, conf. I
304148.9844 0.4844 -5.3287 3 169.9387255 89502 303421230 411130 a-Alanine, conf. I
304204.1679 0.4800 -5.7317 3 474.6706339 89502 3035650 6 5550 5 a-Alanine, conf. I
304204.1679 0.4800 -5.7317 3 474.6706339 89502 3035650 7 5550 6 a-Alanine, conf. I
304270.1386 0.3063 -4.7204 3 282.6153321 89502 303531835 521834 a-Alanine, conf. I
304289.6315 0.4668 -5.3283 3 169.9401255 89502 303421330 411230 a-Alanine, conf. I
304295.1091 0.4506 -5.6525 3 466.9427339 89502 3035649 7 5549 6 a-Alanine, conf. I
304295.1091 0.4506 -5.6525 3 466.9427339 89502 3035649 8 5549 7 a-Alanine, conf. I
304330.2456 0.8426 -4.7704 3 300.9524327 89502 303542233 532232 a-Alanine, conf. I
304342.2756 0.0499 -5.2024 3 150.7659207 89502 3033426 8 3325 8 a-Alanine, conf. I
304342.2756 0.0499 -4.0913 3 150.7659207 89502 3033426 8 3325 9 a-Alanine, conf. I
304342.2756 0.0499 -4.0913 3 150.7659207 89502 3033426 9 3325 8 a-Alanine, conf. I
304342.2756 0.0499 -5.2024 3 150.7659207 89502 3033426 9 3325 9 a-Alanine, conf. I
304347.3385 0.3508 -5.4402 3 108.3565201 89502 303331420 321121 a-Alanine, conf. I
304393.0074 0.4237 -5.5826 3 459.3742339 89502 3035648 8 5548 7 a-Alanine, conf. I
304393.0074 0.4237 -5.5826 3 459.3742339 89502 3035648 9 5548 8 a-Alanine, conf. I
304454.1470 0.2862 -4.7197 3 333.4920381 89502 30363 657 62 656 a-Alanine, conf. I
304454.1470 0.2862 -4.1473 3 333.4920381 89502 30363 657 62 756 a-Alanine, conf. I
304454.1470 0.2862 -4.1473 3 333.4920381 89502 30363 757 62 656 a-Alanine, conf. I
304454.1470 0.2862 -4.7197 3 333.4920381 89502 30363 757 62 756 a-Alanine, conf. I
304461.0864 0.4394 -5.5909 3 102.1683195 89502 303321419 311120 a-Alanine, conf. I
304472.3667 5.5501 -5.9833 3 948.0032645 89502 303A7 899 A7 7A0 a-Alanine, conf. I
304472.3667 5.5501 -5.9833 3 948.0032645 89502 303A7 999 A7 8A0 a-Alanine, conf. I
304478.6751 4.3401 -5.4954 3 566.2638447 89502 303742946 733043 a-Alanine, conf. I
304498.4607 0.3996 -5.5199 3 451.9654339 89502 3035647 9 5547 8 a-Alanine, conf. I
304498.4607 0.3996 -5.5199 3 451.9654339 89502 303564710 5547 9 a-Alanine, conf. I
304543.0635 1.3258 -5.9688 3 1071.6027543 89502 303906624 906525 a-Alanine, conf. I
304543.0635 1.3258 -5.9688 3 1071.6027543 89502 303906625 906526 a-Alanine, conf. I
304596.0811 0.4999 -5.9352 3 151.9216237 89502 303391524 381325 a-Alanine, conf. I
304612.1377 0.3787 -5.4630 3 444.7167339 89502 303564610 5546 9 a-Alanine, conf. I
304612.1377 0.3787 -5.4630 3 444.7167339 89502 303564611 554610 a-Alanine, conf. I
304659.8767 0.2787 -4.7432 3 300.4630333 89502 303551838 541837 a-Alanine, conf. I
304688.9793 1.8826 -5.4625 3 531.7492435 89502 303722746 712843 a-Alanine, conf. I
304693.9889 1.2852 -5.9507 3 1055.3195537 89502 303896623 896524 a-Alanine, conf. I
304693.9889 1.2852 -5.9507 3 1055.3195537 89502 303896624 896525 a-Alanine, conf. I
304718.3520 0.1259 -5.2647 3 181.1212255 89502 303421824 411724 a-Alanine, conf. I
304734.7886 0.3614 -5.4107 3 437.6284339 89502 303564511 554510 a-Alanine, conf. I
304734.7886 0.3614 -5.4107 3 437.6284339 89502 303564512 554511 a-Alanine, conf. I
304754.0881 0.6290 -4.8594 3 328.1921333 89502 303552729 542728 a-Alanine, conf. I
304754.1341 0.6290 -4.8594 3 328.1921333 89502 303552728 542727 a-Alanine, conf. I
304775.2205 1.0226 -4.6129 3 303.2161333 89502 303551837 541936 a-Alanine, conf. I
304839.4799 1.2513 -5.9338 3 1039.2178531 89502 303886622 886523 a-Alanine, conf. I
304839.4799 1.2513 -5.9338 3 1039.2178531 89502 303886623 886524 a-Alanine, conf. I
304859.6250 0.2796 -4.7342 3 329.1211369 89502 30361 952 60 951 a-Alanine, conf. I
304859.6250 0.2796 -4.2086 3 329.1211369 89502 30361 952 601051 a-Alanine, conf. I
304859.6250 0.2796 -4.2086 3 329.1211369 89502 303611052 60 951 a-Alanine, conf. I
304859.6250 0.2796 -4.7342 3 329.1211369 89502 303611052 601051 a-Alanine, conf. I
304867.2584 0.3480 -5.3625 3 430.7010339 89502 303564412 554411 a-Alanine, conf. I
304867.2584 0.3480 -5.3625 3 430.7010339 89502 303564413 554412 a-Alanine, conf. I
304979.6604 1.2243 -5.9181 3 1023.2974525 89502 303876621 876522 a-Alanine, conf. I
304979.6604 1.2243 -5.9181 3 1023.2974525 89502 303876622 876523 a-Alanine, conf. I
304988.5072 4.8120 -5.6635 3 654.2945477 89502 303793347 783444 a-Alanine, conf. I
305010.5019 0.3389 -5.3176 3 423.9348339 89502 303564313 554312 a-Alanine, conf. I
305010.5019 0.3389 -5.3176 3 423.9348339 89502 303564314 554313 a-Alanine, conf. I
305010.7530 5.5325 -4.9780 3 353.7391357 89502 303592138 582237 a-Alanine, conf. I
305019.2345 0.0547 -5.2108 3 153.1714213 89502 303352510 342410 a-Alanine, conf. I
305019.2345 0.0547 -4.1177 3 153.1714213 89502 303352510 342411 a-Alanine, conf. I
305019.2345 0.0547 -4.1177 3 153.1714213 89502 303352511 342410 a-Alanine, conf. I
305019.2345 0.0547 -5.2108 3 153.1714213 89502 303352511 342411 a-Alanine, conf. I
305045.7394 4.8642 -5.6633 3 654.2944477 89502 303793346 783445 a-Alanine, conf. I
305114.6526 1.2041 -5.9036 3 1007.5584519 89502 303866620 866521 a-Alanine, conf. I
305114.6526 1.2041 -5.9036 3 1007.5584519 89502 303866621 866522 a-Alanine, conf. I
305162.7405 6.1567 -5.9841 3 851.6684621 89502 303A3 598 A3 499 a-Alanine, conf. I
305162.7405 6.1567 -5.9841 3 851.6684621 89502 303A3 698 A3 599 a-Alanine, conf. I
305165.6028 0.3341 -5.2756 3 417.3303339 89502 303564214 554213 a-Alanine, conf. I
305165.6028 0.3341 -5.2756 3 417.3303339 89502 303564215 554214 a-Alanine, conf. I
305170.3585 0.2731 -4.7415 3 300.4273333 89502 303551738 541737 a-Alanine, conf. I
305208.8146 1.0626 -4.7678 3 300.9827327 89502 303542232 532231 a-Alanine, conf. I
305243.0491 0.2053 -5.4874 3 148.0080249 89502 30341 734 40 634 a-Alanine, conf. I
305243.0498 0.2053 -5.4874 3 148.0080249 89502 30341 834 40 734 a-Alanine, conf. I
305244.5772 1.1909 -5.8904 3 992.0008513 89502 303856619 856520 a-Alanine, conf. I
305244.5772 1.1909 -5.8904 3 992.0008513 89502 303856620 856521 a-Alanine, conf. I
305302.7454 0.2813 -4.4405 3 307.5259339 89502 303561640 551739 a-Alanine, conf. I
305304.7237 0.4569 -4.6955 3 339.7089399 89502 30366 264 65 263 a-Alanine, conf. I
305304.7237 0.4569 -4.0772 3 339.7089399 89502 30366 264 65 363 a-Alanine, conf. I
305304.7237 0.4569 -4.0772 3 339.7089399 89502 30366 364 65 263 a-Alanine, conf. I
305304.7237 0.4569 -4.6955 3 339.7089399 89502 30366 364 65 363 a-Alanine, conf. I
305333.7963 0.3339 -5.2362 3 410.8882339 89502 303564115 554114 a-Alanine, conf. I
305333.7963 0.3339 -5.2362 3 410.8882339 89502 303564116 554115 a-Alanine, conf. I
305337.2103 0.2881 -4.2836 3 322.7702357 89502 303591247 581346 a-Alanine, conf. I
305337.2105 0.2881 -4.7443 3 322.7702357 89502 303591347 581346 a-Alanine, conf. I
305337.2106 0.2881 -4.7443 3 322.7702357 89502 303591247 581246 a-Alanine, conf. I
305337.2107 0.2881 -4.2836 3 322.7702357 89502 303591347 581246 a-Alanine, conf. I
305338.3337 0.2800 -4.7463 3 307.5259339 89502 303561740 551739 a-Alanine, conf. I
305369.5532 1.1845 -5.8787 3 976.6246507 89502 303846618 846519 a-Alanine, conf. I
305369.5532 1.1845 -5.8787 3 976.6246507 89502 303846619 846520 a-Alanine, conf. I
305376.5264 0.2794 -4.7462 3 307.5234339 89502 303561640 551639 a-Alanine, conf. I
305399.4743 0.3083 -5.2526 3 204.2863273 89502 303451728 441628 a-Alanine, conf. I
305412.1147 0.2790 -4.4401 3 307.5234339 89502 303561740 551639 a-Alanine, conf. I
305444.2398 0.5758 -4.7433 3 295.6189327 89502 303542035 532034 a-Alanine, conf. I
305489.6984 1.1846 -5.8685 3 961.4297501 89502 303836617 836518 a-Alanine, conf. I
305489.6984 1.1846 -5.8685 3 961.4297501 89502 303836618 836519 a-Alanine, conf. I
305500.7905 0.7815 -4.7539 3 298.1925327 89502 303542134 532133 a-Alanine, conf. I
305516.4972 0.3380 -5.1991 3 404.6091339 89502 303564016 554015 a-Alanine, conf. I
305516.4972 0.3380 -5.1991 3 404.6091339 89502 303564017 554016 a-Alanine, conf. I
305522.6709 0.6695 -4.5698 3 178.8979255 89502 303421725 411626 a-Alanine, conf. I
305555.7943 0.6781 -4.8392 3 324.3389333 89502 303552630 542629 a-Alanine, conf. I
305556.3100 0.6783 -4.8392 3 324.3390333 89502 303552629 542628 a-Alanine, conf. I
305605.1287 1.1910 -5.8600 3 946.4162495 89502 303826616 826517 a-Alanine, conf. I
305605.1287 1.1910 -5.8600 3 946.4162495 89502 303826617 826518 a-Alanine, conf. I
305656.8487 0.0611 -5.2189 3 155.9440219 89502 303362412 352312 a-Alanine, conf. I
305656.8487 0.0611 -4.1465 3 155.9440219 89502 303362412 352313 a-Alanine, conf. I
305656.8487 0.0611 -4.1465 3 155.9440219 89502 303362413 352312 a-Alanine, conf. I
305656.8487 0.0611 -5.2189 3 155.9440219 89502 303362413 352313 a-Alanine, conf. I
305663.2285 0.4829 -5.2767 3 184.7083261 89502 303431628 421528 a-Alanine, conf. I
305705.7754 3.5603 -5.4668 3 548.8032441 89502 303732846 722943 a-Alanine, conf. I
305715.3348 0.3463 -5.1640 3 398.4936339 89502 303563917 553916 a-Alanine, conf. I
305715.3348 0.3463 -5.1640 3 398.4936339 89502 303563918 553917 a-Alanine, conf. I
305715.9589 1.2031 -5.8534 3 931.5840489 89502 303816615 816516 a-Alanine, conf. I
305715.9589 1.2031 -5.8534 3 931.5840489 89502 303816616 816517 a-Alanine, conf. I
305727.5077 0.4601 -5.7400 3 96.1425189 89502 303311418 301119 a-Alanine, conf. I
305730.1407 0.3290 -4.5102 3 300.4273333 89502 303551838 541737 a-Alanine, conf. I
305770.1305 1.6840 -4.6466 3 223.4188285 89502 303471830 461729 a-Alanine, conf. I
305804.4209 0.3101 -4.7145 3 337.8889387 89502 30364 559 63 558 a-Alanine, conf. I
305804.4209 0.3101 -4.1289 3 337.8889387 89502 30364 559 63 658 a-Alanine, conf. I
305804.4209 0.3101 -4.1289 3 337.8889387 89502 30364 659 63 558 a-Alanine, conf. I
305804.4209 0.3101 -4.7145 3 337.8889387 89502 30364 659 63 658 a-Alanine, conf. I
305808.1252 1.1753 -5.2817 3 192.5935267 89502 303441529 431429 a-Alanine, conf. I
305822.3023 1.2206 -5.8487 3 916.9332483 89502 303806614 806515 a-Alanine, conf. I
305822.3023 1.2206 -5.8487 3 916.9332483 89502 303806615 806516 a-Alanine, conf. I
305837.8433 5.8111 -5.9811 3 921.0179639 89502 303A6 799 A6 6A0 a-Alanine, conf. I
305837.8433 5.8111 -5.9811 3 921.0179639 89502 303A6 899 A6 7A0 a-Alanine, conf. I
305924.2706 1.2429 -5.8464 3 902.4637477 89502 303796613 796514 a-Alanine, conf. I
305924.2706 1.2429 -5.8464 3 902.4637477 89502 303796614 796515 a-Alanine, conf. I
305932.1966 0.3585 -5.1308 3 392.5426339 89502 303563818 553817 a-Alanine, conf. I
305932.1966 0.3585 -5.1308 3 392.5426339 89502 303563819 553818 a-Alanine, conf. I
306021.9744 1.2696 -5.8466 3 888.1755471 89502 303786612 786513 a-Alanine, conf. I
306021.9744 1.2696 -5.8466 3 888.1755471 89502 303786613 786514 a-Alanine, conf. I
306064.0274 0.2038 -5.3062 3 114.6831207 89502 303341421 331122 a-Alanine, conf. I
306085.1845 1.5920 -4.8464 3 159.6355243 89502 303401525 391426 a-Alanine, conf. I
306115.5227 1.3000 -5.8498 3 874.0687465 89502 303776611 776512 a-Alanine, conf. I
306115.5227 1.3000 -5.8498 3 874.0687465 89502 303776612 776513 a-Alanine, conf. I
306169.2834 0.3742 -5.0992 3 386.7570339 89502 303563719 553718 a-Alanine, conf. I
306169.2834 0.3742 -5.0992 3 386.7570339 89502 303563720 553719 a-Alanine, conf. I
306202.6483 0.1229 -5.2613 3 181.0490255 89502 303421825 411725 a-Alanine, conf. I
306205.0233 1.3338 -5.8563 3 860.1431459 89502 303766610 766511 a-Alanine, conf. I
306205.0233 1.3338 -5.8563 3 860.1431459 89502 303766611 766512 a-Alanine, conf. I
306221.6599 0.2812 -4.7301 3 334.1651375 89502 30362 854 61 853 a-Alanine, conf. I
306221.6599 0.2812 -4.1867 3 334.1651375 89502 30362 854 61 953 a-Alanine, conf. I
306221.6599 0.2812 -4.1867 3 334.1651375 89502 30362 954 61 853 a-Alanine, conf. I
306221.6599 0.2812 -4.7301 3 334.1651375 89502 30362 954 61 953 a-Alanine, conf. I
306234.1655 0.0680 -5.2267 3 159.0919225 89502 303372314 362214 a-Alanine, conf. I
306234.1655 0.0680 -4.1783 3 159.0919225 89502 303372315 362214 a-Alanine, conf. I
306234.1656 0.0680 -4.1783 3 159.0919225 89502 303372314 362215 a-Alanine, conf. I
306234.1656 0.0680 -5.2267 3 159.0919225 89502 303372315 362215 a-Alanine, conf. I
306236.2443 0.2863 -4.3876 3 314.2755345 89502 303571542 561641 a-Alanine, conf. I
306237.9350 0.2863 -4.7477 3 314.2755345 89502 303571642 561641 a-Alanine, conf. I
306239.9679 0.2863 -4.7477 3 314.2753345 89502 303571542 561541 a-Alanine, conf. I
306241.6587 0.2863 -4.3875 3 314.2753345 89502 303571642 561541 a-Alanine, conf. I
306290.5826 1.3705 -5.8667 3 846.3989453 89502 3037566 9 756510 a-Alanine, conf. I
306290.5826 1.3705 -5.8667 3 846.3989453 89502 303756610 756511 a-Alanine, conf. I
306330.4731 2.3455 -4.7255 3 316.1702339 89502 303561937 552036 a-Alanine, conf. I
306372.3056 1.4095 -5.8818 3 832.8360447 89502 3037466 8 7465 9 a-Alanine, conf. I
306372.3056 1.4095 -5.8818 3 832.8360447 89502 3037466 9 746510 a-Alanine, conf. I
306406.5935 0.1990 -5.5385 3 144.6414249 89502 30341 635 40 535 a-Alanine, conf. I
306406.5935 0.1990 -5.5385 3 144.6414249 89502 30341 735 40 635 a-Alanine, conf. I
306429.1809 0.3930 -5.0692 3 381.1379339 89502 303563620 553619 a-Alanine, conf. I
306429.1809 0.3930 -5.0692 3 381.1379339 89502 303563621 553620 a-Alanine, conf. I
306450.2962 1.4507 -5.9026 3 819.4543441 89502 3037366 7 7365 8 a-Alanine, conf. I
306450.2962 1.4507 -5.9026 3 819.4543441 89502 3037366 8 7365 9 a-Alanine, conf. I
306510.4910 0.7359 -4.8195 3 320.6901333 89502 303552531 542530 a-Alanine, conf. I
306515.5202 0.7376 -4.8195 3 320.6902333 89502 303552530 542529 a-Alanine, conf. I
306524.6568 1.4935 -5.9307 3 806.2539435 89502 3037266 6 7265 7 a-Alanine, conf. I
306524.6568 1.4935 -5.9307 3 806.2539435 89502 3037266 7 7265 8 a-Alanine, conf. I
306559.7621 0.3974 -5.3487 3 167.2555255 89502 303421131 411031 a-Alanine, conf. I
306572.0778 4.9769 -5.9504 3 791.8143519 89502 303863948 854045 a-Alanine, conf. I
306572.1056 4.9769 -5.9504 3 791.8143519 89502 303863947 854046 a-Alanine, conf. I
306572.6310 0.3733 -5.2995 3 100.9683201 89502 30333 924 32 825 a-Alanine, conf. I
306575.2678 0.3954 -5.3486 3 167.2557255 89502 303421231 411131 a-Alanine, conf. I
306588.6473 4.8895 -5.6183 3 635.2106471 89502 303783247 773344 a-Alanine, conf. I
306595.4886 1.5378 -5.9679 3 793.2348429 89502 3037166 5 7165 6 a-Alanine, conf. I
306595.4886 1.5378 -5.9679 3 793.2348429 89502 3037166 6 7165 7 a-Alanine, conf. I
306598.6116 0.5462 -4.6891 3 343.2713405 89502 30367 166 66 165 a-Alanine, conf. I
306598.6116 0.5462 -4.0615 3 343.2713405 89502 30367 166 66 265 a-Alanine, conf. I
306598.6116 0.5462 -4.0615 3 343.2713405 89502 30367 266 66 165 a-Alanine, conf. I
306598.6116 0.5462 -4.6891 3 343.2713405 89502 30367 266 66 265 a-Alanine, conf. I
306652.5371 0.2904 -4.7417 3 328.4905363 89502 303601149 591148 a-Alanine, conf. I
306652.5371 0.2904 -4.2554 3 328.4905363 89502 303601149 591248 a-Alanine, conf. I
306652.5371 0.2904 -4.2554 3 328.4905363 89502 303601249 591148 a-Alanine, conf. I
306652.5371 0.2904 -4.7417 3 328.4905363 89502 303601249 591248 a-Alanine, conf. I
306701.1827 0.0932 -4.3687 3 175.7414249 89502 303411923 401822 a-Alanine, conf. I
306714.9526 0.4147 -5.0406 3 375.6864339 89502 303563521 553520 a-Alanine, conf. I
306714.9526 0.4147 -5.0406 3 375.6864339 89502 303563522 553521 a-Alanine, conf. I
306718.1855 0.0755 -4.2142 3 162.6259231 89502 303382217 372116 a-Alanine, conf. I
306718.1860 0.0755 -5.2342 3 162.6259231 89502 303382216 372116 a-Alanine, conf. I
306718.1886 0.0755 -5.2342 3 162.6259231 89502 303382217 372117 a-Alanine, conf. I
306718.1892 0.0755 -4.2142 3 162.6259231 89502 303382216 372117 a-Alanine, conf. I
306737.6886 0.0945 -5.2554 3 175.7414249 89502 303411922 401822 a-Alanine, conf. I
306783.2824 0.3603 -5.2991 3 100.9682201 89502 303331024 32 725 a-Alanine, conf. I
306790.8915 5.0590 -5.6177 3 635.2101471 89502 303783246 773345 a-Alanine, conf. I
306842.5774 0.0988 -5.2551 3 175.7367249 89502 303411923 401823 a-Alanine, conf. I
306879.0833 0.1011 -4.3682 3 175.7367249 89502 303411922 401823 a-Alanine, conf. I
306882.0634 0.0748 -5.1603 3 150.1532189 89502 3033130 1 3029 1 a-Alanine, conf. I
306882.0634 0.0748 -4.0009 3 150.1532189 89502 3033130 1 3029 2 a-Alanine, conf. I
306882.0634 0.0748 -4.0009 3 150.1532189 89502 3033130 2 3029 1 a-Alanine, conf. I
306882.0634 0.0748 -5.1603 3 150.1532189 89502 3033130 2 3029 2 a-Alanine, conf. I
306883.6034 0.1972 -4.4569 3 181.0490255 89502 303421824 411725 a-Alanine, conf. I
307021.8988 1.4418 -4.7232 3 286.0318321 89502 303532033 522032 a-Alanine, conf. I
307030.2625 0.4389 -5.0133 3 370.4041339 89502 303563422 553421 a-Alanine, conf. I
307030.2625 0.4389 -5.0133 3 370.4041339 89502 303563423 553422 a-Alanine, conf. I
307039.8133 0.5797 -5.2893 3 182.4953261 89502 303431529 421429 a-Alanine, conf. I
307040.9411 0.2916 -5.2654 3 186.8103261 89502 303431727 421627 a-Alanine, conf. I
307054.2300 0.0835 -4.2556 3 166.5613237 89502 303392119 382018 a-Alanine, conf. I
307054.2621 0.0835 -5.2415 3 166.5613237 89502 303392118 382018 a-Alanine, conf. I
307054.3938 0.0835 -5.2415 3 166.5613237 89502 303392119 382019 a-Alanine, conf. I
307054.4259 0.0835 -4.2556 3 166.5613237 89502 303392118 382019 a-Alanine, conf. I
307073.1725 1.1736 -5.2634 3 202.7942273 89502 303451629 441529 a-Alanine, conf. I
307074.1231 0.3732 -4.4929 3 189.0890261 89502 303431826 421725 a-Alanine, conf. I
307141.3899 0.0911 -4.3053 3 170.9205243 89502 303402021 391920 a-Alanine, conf. I
307142.6472 0.3493 -4.7091 3 342.0878393 89502 30365 461 64 460 a-Alanine, conf. I
307142.6472 0.3493 -4.1114 3 342.0878393 89502 30365 461 64 560 a-Alanine, conf. I
307142.6472 0.3493 -4.1114 3 342.0878393 89502 30365 561 64 460 a-Alanine, conf. I
307142.6472 0.3493 -4.7091 3 342.0878393 89502 30365 561 64 560 a-Alanine, conf. I
307142.6938 0.0912 -5.2484 3 170.9205243 89502 303402020 391920 a-Alanine, conf. I
307147.2457 0.0914 -5.2484 3 170.9203243 89502 303402021 391921 a-Alanine, conf. I
307148.5496 0.0915 -4.3053 3 170.9203243 89502 303402020 391921 a-Alanine, conf. I
307149.6013 4.9683 -5.9009 3 770.4728513 89502 303853848 843945 a-Alanine, conf. I
307149.7244 4.9684 -5.9009 3 770.4728513 89502 303853847 843946 a-Alanine, conf. I
307300.7389 6.7991 -5.0657 3 378.9960369 89502 303612239 602338 a-Alanine, conf. I
307331.3359 0.2921 -4.3455 3 320.7475351 89502 303581444 571543 a-Alanine, conf. I
307331.3986 0.2921 -4.7477 3 320.7475351 89502 303581544 571543 a-Alanine, conf. I
307331.4810 0.2921 -4.7477 3 320.7475351 89502 303581444 571443 a-Alanine, conf. I
307331.5438 0.2921 -4.3455 3 320.7475351 89502 303581544 571443 a-Alanine, conf. I
307335.1783 0.4245 -5.8738 3 90.3062183 89502 303301417 291118 a-Alanine, conf. I
307379.5425 0.4656 -4.9872 3 365.2925339 89502 303563323 553322 a-Alanine, conf. I
307379.5425 0.4656 -4.9872 3 365.2925339 89502 303563324 553323 a-Alanine, conf. I
307425.7407 0.3646 -4.7264 3 292.7647327 89502 303541836 531835 a-Alanine, conf. I
307456.6864 0.2122 -5.6019 3 141.1358249 89502 30341 536 40 436 a-Alanine, conf. I
307456.6864 0.2122 -5.6019 3 141.1358249 89502 30341 636 40 536 a-Alanine, conf. I
307583.1839 0.2869 -4.7257 3 339.0065381 89502 30363 756 62 755 a-Alanine, conf. I
307583.1839 0.2869 -4.1664 3 339.0065381 89502 30363 756 62 855 a-Alanine, conf. I
307583.1839 0.2869 -4.1664 3 339.0065381 89502 30363 856 62 755 a-Alanine, conf. I
307583.1839 0.2869 -4.7257 3 339.0065381 89502 30363 856 62 855 a-Alanine, conf. I
307614.4162 0.0600 -5.1693 3 151.3258195 89502 3033229 3 3128 3 a-Alanine, conf. I
307614.4162 0.0600 -4.0215 3 151.3258195 89502 3033229 3 3128 4 a-Alanine, conf. I
307614.4162 0.0600 -4.0215 3 151.3258195 89502 3033229 4 3128 3 a-Alanine, conf. I
307614.4162 0.0600 -5.1693 3 151.3258195 89502 3033229 4 3128 4 a-Alanine, conf. I
307666.3494 0.8040 -4.8002 3 317.2576333 89502 303552432 542431 a-Alanine, conf. I
307708.3328 0.8176 -4.8001 3 317.2587333 89502 303552431 542430 a-Alanine, conf. I
307768.2217 0.4947 -4.9622 3 360.3538339 89502 303563224 553223 a-Alanine, conf. I
307768.2217 0.4947 -4.9622 3 360.3538339 89502 303563225 553224 a-Alanine, conf. I
307853.5665 4.9733 -5.8521 3 749.4764507 89502 303843748 833845 a-Alanine, conf. I
307854.0922 4.9740 -5.8521 3 749.4764507 89502 303843747 833846 a-Alanine, conf. I
307861.2174 9.5910 -5.7613 3 587.8531459 89502 303762750 752847 a-Alanine, conf. I
307863.1836 6.3992 -5.4841 3 566.2546447 89502 303742945 733044 a-Alanine, conf. I
307872.7570 0.6527 -4.6826 3 346.6355411 89502 30368 068 67 067 a-Alanine, conf. I
307872.7570 0.6527 -4.0464 3 346.6355411 89502 30368 068 67 167 a-Alanine, conf. I
307872.7570 0.6527 -4.0464 3 346.6355411 89502 30368 168 67 067 a-Alanine, conf. I
307872.7570 0.6527 -4.6826 3 346.6355411 89502 30368 168 67 167 a-Alanine, conf. I
307946.4871 0.1301 -5.9403 3 82.8165177 89502 303291316 281019 a-Alanine, conf. I
307954.4365 0.4355 -5.1249 3 119.3789213 89502 303351323 341024 a-Alanine, conf. I
307994.5356 0.2914 -4.7387 3 333.9952369 89502 303611051 601050 a-Alanine, conf. I
307994.5356 0.2914 -4.2301 3 333.9952369 89502 303611051 601150 a-Alanine, conf. I
307994.5356 0.2914 -4.2301 3 333.9952369 89502 303611151 601050 a-Alanine, conf. I
307994.5356 0.2914 -4.7387 3 333.9952369 89502 303611151 601150 a-Alanine, conf. I
308156.1276 1.3775 -4.6145 3 214.4734279 89502 303461829 451728 a-Alanine, conf. I
308168.7319 0.3327 -4.7402 3 303.2161333 89502 303551937 541936 a-Alanine, conf. I
308203.0538 0.5264 -4.9383 3 355.5902339 89502 303563125 553124 a-Alanine, conf. I
308203.0538 0.5264 -4.9383 3 355.5902339 89502 303563126 553125 a-Alanine, conf. I
308339.0657 0.0521 -5.1782 3 152.8492201 89502 3033328 5 3227 5 a-Alanine, conf. I
308339.0657 0.0521 -4.0433 3 152.8492201 89502 3033328 5 3227 6 a-Alanine, conf. I
308339.0657 0.0521 -4.0433 3 152.8492201 89502 3033328 6 3227 5 a-Alanine, conf. I
308339.0657 0.0521 -5.1782 3 152.8492201 89502 3033328 6 3227 6 a-Alanine, conf. I
308412.4397 0.2415 -5.6831 3 137.4947249 89502 30341 437 40 337 a-Alanine, conf. I
308412.4397 0.2415 -5.6831 3 137.4947249 89502 30341 537 40 437 a-Alanine, conf. I
308466.2513 0.4058 -4.7034 3 346.0891399 89502 30366 363 65 362 a-Alanine, conf. I
308466.2513 0.4058 -4.0948 3 346.0891399 89502 30366 363 65 462 a-Alanine, conf. I
308466.2513 0.4058 -4.0948 3 346.0891399 89502 30366 463 65 362 a-Alanine, conf. I
308466.2513 0.4058 -4.7034 3 346.0891399 89502 30366 463 65 462 a-Alanine, conf. I
308467.5475 4.9328 -5.5744 3 616.4854465 89502 303773147 763244 a-Alanine, conf. I
308475.5096 0.1916 -5.2602 3 189.0890261 89502 303431825 421725 a-Alanine, conf. I
308503.8241 0.3326 -5.3731 3 164.3946255 89502 303421032 41 932 a-Alanine, conf. I
308505.2004 0.3324 -5.3731 3 164.3947255 89502 303421132 411032 a-Alanine, conf. I
308541.2281 7.8977 -5.1478 3 405.1176381 89502 303632340 622439 a-Alanine, conf. I
308541.2512 0.2972 -4.3102 3 326.9684357 89502 303591346 581445 a-Alanine, conf. I
308541.2531 0.2972 -4.7468 3 326.9684357 89502 303591446 581445 a-Alanine, conf. I
308541.2557 0.2972 -4.7468 3 326.9684357 89502 303591346 581345 a-Alanine, conf. I
308541.2575 0.2972 -4.3102 3 326.9684357 89502 303591446 581345 a-Alanine, conf. I
308692.5937 0.5608 -4.9154 3 351.0048339 89502 303563026 553025 a-Alanine, conf. I
308692.5937 0.5608 -4.9154 3 351.0048339 89502 303563027 553026 a-Alanine, conf. I
308708.8868 4.9954 -5.8039 3 728.8266501 89502 303833648 823745 a-Alanine, conf. I
308711.0507 4.9979 -5.8039 3 728.8266501 89502 303833647 823746 a-Alanine, conf. I
308722.8490 0.3152 -4.4942 3 310.6253339 89502 303561739 551838 a-Alanine, conf. I
308935.1209 0.6464 -4.5302 3 197.2997267 89502 303441827 431726 a-Alanine, conf. I
308939.0933 0.3005 -4.7211 3 343.6475387 89502 30364 658 63 657 a-Alanine, conf. I
308939.0933 0.3005 -4.1475 3 343.6475387 89502 30364 658 63 757 a-Alanine, conf. I
308939.0933 0.3005 -4.1475 3 343.6475387 89502 30364 758 63 657 a-Alanine, conf. I
308939.0933 0.3005 -4.7211 3 343.6475387 89502 30364 758 63 757 a-Alanine, conf. I
308982.9274 0.2226 -5.4993 3 90.6617195 89502 30332 725 31 626 a-Alanine, conf. I
308986.4652 0.2224 -5.4993 3 90.6617195 89502 30332 825 31 526 a-Alanine, conf. I
309009.1793 0.2887 -4.7439 3 310.6253339 89502 303561839 551838 a-Alanine, conf. I
309050.3608 0.8726 -4.7812 3 314.0575333 89502 303552333 542332 a-Alanine, conf. I
309051.1256 0.0510 -5.1869 3 154.7268207 89502 3033427 7 3326 7 a-Alanine, conf. I
309051.1256 0.0510 -4.0666 3 154.7268207 89502 3033427 7 3326 8 a-Alanine, conf. I
309051.1256 0.0510 -4.0666 3 154.7268207 89502 3033427 8 3326 7 a-Alanine, conf. I
309051.1256 0.0510 -5.1869 3 154.7268207 89502 3033427 8 3326 8 a-Alanine, conf. I
309103.1154 0.6199 -5.3049 3 180.0840261 89502 303431330 421230 a-Alanine, conf. I
309142.7716 5.4476 -5.5723 3 616.4839465 89502 303773146 763245 a-Alanine, conf. I
309180.2237 0.6671 -4.7046 3 284.2945321 89502 303531934 521933 a-Alanine, conf. I
309204.0903 8.6962 -5.2208 3 432.1066393 89502 303652441 642540 a-Alanine, conf. I
309220.4391 1.1329 -5.4990 3 545.3893441 89502 303732747 722844 a-Alanine, conf. I
309247.9213 0.5986 -4.8933 3 346.6010339 89502 303562928 552927 a-Alanine, conf. I
309247.9220 0.5986 -4.8933 3 346.6010339 89502 303562927 552926 a-Alanine, conf. I
309282.6313 0.2841 -4.7431 3 310.6067339 89502 303561739 551738 a-Alanine, conf. I
309288.4957 0.2817 -5.7923 3 133.7211249 89502 30341 338 40 238 a-Alanine, conf. I
309288.4957 0.2817 -5.7923 3 133.7211249 89502 30341 438 40 338 a-Alanine, conf. I
309291.8203 1.4864 -4.7421 3 298.3628327 89502 303542133 532132 a-Alanine, conf. I
309313.8239 1.0027 -4.5727 3 205.7618273 89502 303451828 441727 a-Alanine, conf. I
309342.2240 0.9573 -4.7804 3 314.0665333 89502 303552332 542331 a-Alanine, conf. I
309350.3144 0.2919 -4.7353 3 339.2901375 89502 30362 953 61 952 a-Alanine, conf. I
309350.3144 0.2919 -4.2072 3 339.2901375 89502 30362 953 611052 a-Alanine, conf. I
309350.3144 0.2919 -4.2072 3 339.2901375 89502 303621053 61 952 a-Alanine, conf. I
309350.3144 0.2919 -4.7353 3 339.2901375 89502 303621053 611052 a-Alanine, conf. I
309359.6181 1.0242 -5.1069 3 125.7972219 89502 303361224 351125 a-Alanine, conf. I
309389.9975 0.1611 -5.7925 3 80.3415189 89502 30331 526 30 427 a-Alanine, conf. I
309390.0243 0.1611 -5.7925 3 80.3415189 89502 30331 626 30 327 a-Alanine, conf. I
309432.9150 0.5776 -5.9561 3 508.9474345 89502 3035753 4 5653 3 a-Alanine, conf. I
309432.9150 0.5776 -5.9561 3 508.9474345 89502 3035753 5 5653 4 a-Alanine, conf. I
309510.4355 0.5426 -5.8459 3 500.7453345 89502 3035752 5 5652 4 a-Alanine, conf. I
309510.4355 0.5426 -5.8459 3 500.7453345 89502 3035752 6 5652 5 a-Alanine, conf. I
309568.9616 0.2986 -4.4916 3 310.6067339 89502 303561839 551738 a-Alanine, conf. I
309593.7535 0.5096 -5.7537 3 492.7020345 89502 3035751 6 5651 5 a-Alanine, conf. I
309593.7535 0.5096 -5.7537 3 492.7020345 89502 3035751 7 5651 6 a-Alanine, conf. I
309618.4762 0.5024 -5.2215 3 109.0512207 89502 303341024 33 925 a-Alanine, conf. I
309625.3772 0.5539 -5.3036 3 180.0901261 89502 303431430 421330 a-Alanine, conf. I
309683.3288 0.4788 -5.6741 3 484.8177345 89502 3035750 7 5650 6 a-Alanine, conf. I
309683.3288 0.4788 -5.6741 3 484.8177345 89502 3035750 8 5650 7 a-Alanine, conf. I
309688.6360 1.2733 -5.9588 3 1049.3861531 89502 303886721 886622 a-Alanine, conf. I
309688.6360 1.2733 -5.9588 3 1049.3861531 89502 303886722 886623 a-Alanine, conf. I
309701.1675 0.2938 -4.4278 3 317.7109345 89502 303571641 561740 a-Alanine, conf. I
309718.0827 0.2933 -4.7471 3 317.7109345 89502 303571741 561740 a-Alanine, conf. I
309736.7558 0.2931 -4.7470 3 317.7097345 89502 303571641 561640 a-Alanine, conf. I
309743.4473 0.0544 -5.1954 3 156.9626213 89502 3033526 9 3425 9 a-Alanine, conf. I
309743.4473 0.0544 -4.0915 3 156.9626213 89502 3033526 9 342510 a-Alanine, conf. I
309743.4473 0.0544 -4.0915 3 156.9626213 89502 303352610 3425 9 a-Alanine, conf. I
309743.4473 0.0544 -5.1954 3 156.9626213 89502 303352610 342510 a-Alanine, conf. I
309747.1762 5.0381 -5.7562 3 708.5254495 89502 303823548 813645 a-Alanine, conf. I
309753.6710 0.2928 -4.4276 3 317.7097345 89502 303571741 561640 a-Alanine, conf. I
309755.7330 5.0474 -5.7562 3 708.5253495 89502 303823547 813646 a-Alanine, conf. I
309773.1115 0.4804 -4.6976 3 349.8927405 89502 30367 265 66 264 a-Alanine, conf. I
309773.1115 0.4804 -4.0790 3 349.8927405 89502 30367 265 66 364 a-Alanine, conf. I
309773.1115 0.4804 -4.0790 3 349.8927405 89502 30367 365 66 264 a-Alanine, conf. I
309773.1115 0.4804 -4.6976 3 349.8927405 89502 30367 365 66 364 a-Alanine, conf. I
309779.6717 0.4506 -5.6039 3 477.0929345 89502 3035749 8 5649 7 a-Alanine, conf. I
309779.6717 0.4506 -5.6039 3 477.0929345 89502 3035749 9 5649 8 a-Alanine, conf. I
309795.8367 9.1034 -5.2839 3 459.9653405 89502 303672542 662641 a-Alanine, conf. I
309820.2981 0.3010 -4.2797 3 332.9552363 89502 303601248 591347 a-Alanine, conf. I
309820.2981 0.3010 -4.7451 3 332.9552363 89502 303601348 591347 a-Alanine, conf. I
309820.2982 0.3010 -4.7451 3 332.9552363 89502 303601248 591247 a-Alanine, conf. I
309820.2982 0.3010 -4.2797 3 332.9552363 89502 303601348 591247 a-Alanine, conf. I
309820.7279 1.2550 -5.9440 3 1033.4704525 89502 303876720 876621 a-Alanine, conf. I
309820.7279 1.2550 -5.9440 3 1033.4704525 89502 303876721 876622 a-Alanine, conf. I
309883.3501 0.4252 -5.5408 3 469.5276345 89502 3035748 9 5648 8 a-Alanine, conf. I
309883.3501 0.4252 -5.5408 3 469.5276345 89502 303574810 5648 9 a-Alanine, conf. I
309883.7850 0.6404 -4.8721 3 342.3834339 89502 303562829 552828 a-Alanine, conf. I
309883.7948 0.6404 -4.8721 3 342.3834339 89502 303562828 552827 a-Alanine, conf. I
309947.8995 1.2436 -5.9305 3 1017.7359519 89502 303866719 866620 a-Alanine, conf. I
309947.8995 1.2436 -5.9305 3 1017.7359519 89502 303866720 866621 a-Alanine, conf. I
309964.1830 0.0994 -5.2024 3 121.1331213 89502 303351422 341123 a-Alanine, conf. I
309994.9974 0.4030 -5.4835 3 462.1224345 89502 303574710 5647 9 a-Alanine, conf. I
309994.9974 0.4030 -5.4835 3 462.1224345 89502 303574711 564710 a-Alanine, conf. I
310070.2647 1.2390 -5.9184 3 1002.1827513 89502 303856718 856619 a-Alanine, conf. I
310070.2647 1.2390 -5.9184 3 1002.1827513 89502 303856719 856620 a-Alanine, conf. I
310096.3623 0.3292 -5.9527 3 129.8170249 89502 30341 239 40 139 a-Alanine, conf. I
310096.3623 0.3292 -5.9527 3 129.8170249 89502 30341 339 40 239 a-Alanine, conf. I
310115.3227 0.3844 -5.4308 3 454.8775345 89502 303574611 564610 a-Alanine, conf. I
310115.3227 0.3844 -5.4308 3 454.8775345 89502 303574612 564611 a-Alanine, conf. I
310157.9307 0.2805 -5.4025 3 161.3696255 89502 30342 933 41 833 a-Alanine, conf. I
310158.0305 0.2805 -5.4025 3 161.3696255 89502 303421033 41 933 a-Alanine, conf. I
310187.9359 1.2409 -5.9079 3 986.8106507 89502 303846717 846618 a-Alanine, conf. I
310187.9359 1.2409 -5.9079 3 986.8106507 89502 303846718 846619 a-Alanine, conf. I
310245.1222 0.3697 -5.3822 3 447.7933345 89502 303574512 564511 a-Alanine, conf. I
310245.1222 0.3697 -5.3822 3 447.7933345 89502 303574513 564512 a-Alanine, conf. I
310285.4833 0.3264 -4.7162 3 348.0894393 89502 30365 560 64 559 a-Alanine, conf. I
310285.4833 0.3264 -4.1296 3 348.0894393 89502 30365 560 64 659 a-Alanine, conf. I
310285.4833 0.3264 -4.1296 3 348.0894393 89502 30365 660 64 559 a-Alanine, conf. I
310285.4833 0.3264 -4.7162 3 348.0894393 89502 30365 660 64 659 a-Alanine, conf. I
310301.0242 1.2491 -5.8990 3 971.6197501 89502 303836716 836617 a-Alanine, conf. I
310301.0242 1.2491 -5.8990 3 971.6197501 89502 303836717 836618 a-Alanine, conf. I
310385.2932 0.3592 -5.3369 3 440.8702345 89502 303574413 564412 a-Alanine, conf. I
310385.2932 0.3592 -5.3369 3 440.8702345 89502 303574414 564413 a-Alanine, conf. I
310405.4985 0.0602 -5.2037 3 159.5617219 89502 303362511 352411 a-Alanine, conf. I
310405.4985 0.0602 -4.1186 3 159.5617219 89502 303362511 352412 a-Alanine, conf. I
310405.4985 0.0602 -4.1186 3 159.5617219 89502 303362512 352411 a-Alanine, conf. I
310405.4985 0.0602 -5.2037 3 159.5617219 89502 303362512 352412 a-Alanine, conf. I
310409.6395 1.2630 -5.8920 3 956.6100495 89502 303826715 826616 a-Alanine, conf. I
310409.6395 1.2630 -5.8920 3 956.6100495 89502 303826716 826617 a-Alanine, conf. I
310472.0152 0.4483 -5.2199 3 109.0505207 89502 303341124 33 825 a-Alanine, conf. I
310500.9007 4.8207 -5.5332 3 598.1252459 89502 303763047 753144 a-Alanine, conf. I
310502.6069 0.8897 -4.7632 3 311.1038333 89502 303552234 542233 a-Alanine, conf. I
310513.8902 1.2823 -5.8871 3 941.7816489 89502 303816714 816615 a-Alanine, conf. I
310513.8902 1.2823 -5.8871 3 941.7816489 89502 303816715 816616 a-Alanine, conf. I
310536.8506 0.3532 -5.2945 3 434.1088345 89502 303574314 564313 a-Alanine, conf. I
310536.8506 0.3532 -5.2945 3 434.1088345 89502 303574315 564314 a-Alanine, conf. I
310613.8835 1.3063 -5.8844 3 927.1343483 89502 303806713 806614 a-Alanine, conf. I
310613.8835 1.3063 -5.8844 3 927.1343483 89502 303806714 806615 a-Alanine, conf. I
310620.4876 0.6876 -4.8515 3 338.3576339 89502 303562730 552729 a-Alanine, conf. I
310620.6054 0.6876 -4.8515 3 338.3576339 89502 303562729 552728 a-Alanine, conf. I
310666.6771 0.2997 -4.3788 3 324.4905351 89502 303581543 571642 a-Alanine, conf. I
310667.4364 0.2997 -4.7485 3 324.4905351 89502 303581643 571642 a-Alanine, conf. I
310668.3678 0.2997 -4.7485 3 324.4904351 89502 303581543 571542 a-Alanine, conf. I
310668.8173 0.5183 -4.7406 3 305.8074333 89502 303552036 542035 a-Alanine, conf. I
310669.1271 0.2997 -4.3788 3 324.4904351 89502 303581643 571542 a-Alanine, conf. I
310674.4221 0.3565 -4.7316 3 303.0193333 89502 303551837 541836 a-Alanine, conf. I
310700.9475 0.3517 -5.2547 3 427.5096345 89502 303574215 564214 a-Alanine, conf. I
310700.9475 0.3517 -5.2547 3 427.5096345 89502 303574216 564215 a-Alanine, conf. I
310709.7252 1.3346 -5.8843 3 912.6682477 89502 303796712 796613 a-Alanine, conf. I
310709.7252 1.3346 -5.8843 3 912.6682477 89502 303796713 796614 a-Alanine, conf. I
310710.9335 0.2938 -4.7315 3 344.3795381 89502 30363 855 62 854 a-Alanine, conf. I
310710.9335 0.2938 -4.1861 3 344.3795381 89502 30363 855 62 954 a-Alanine, conf. I
310710.9335 0.2938 -4.1861 3 344.3795381 89502 30363 955 62 854 a-Alanine, conf. I
310710.9335 0.2938 -4.7315 3 344.3795381 89502 30363 955 62 954 a-Alanine, conf. I
310772.2791 9.1101 -5.3385 3 488.6953417 89502 303692643 682742 a-Alanine, conf. I
310782.1580 0.6943 -4.5736 3 313.4955339 89502 303561838 551937 a-Alanine, conf. I
310801.5201 1.3667 -5.8871 3 898.3833471 89502 303786711 786612 a-Alanine, conf. I
310801.5201 1.3667 -5.8871 3 898.3833471 89502 303786712 786613 a-Alanine, conf. I
310878.9000 0.3548 -5.2172 3 421.0731345 89502 303574116 564115 a-Alanine, conf. I
310878.9000 0.3548 -5.2172 3 421.0731345 89502 303574117 564116 a-Alanine, conf. I
310889.3715 1.4020 -5.8932 3 884.2796465 89502 303776710 776611 a-Alanine, conf. I
310889.3715 1.4020 -5.8932 3 884.2796465 89502 303776711 776612 a-Alanine, conf. I
310973.3817 1.4402 -5.9033 3 870.3570459 89502 3037667 9 766610 a-Alanine, conf. I
310973.3817 1.4402 -5.9033 3 870.3570459 89502 303766710 766611 a-Alanine, conf. I
310985.8507 0.7081 -5.1583 3 117.3298213 89502 303351124 341025 a-Alanine, conf. I
311007.3493 5.1042 -5.7092 3 688.5748489 89502 303813448 803545 a-Alanine, conf. I
311021.5338 0.0671 -5.2117 3 162.5309225 89502 303372413 362313 a-Alanine, conf. I
311021.5338 0.0671 -4.1482 3 162.5309225 89502 303372413 362314 a-Alanine, conf. I
311021.5338 0.0671 -4.1482 3 162.5309225 89502 303372414 362313 a-Alanine, conf. I
311021.5338 0.0671 -5.2117 3 162.5309225 89502 303372414 362314 a-Alanine, conf. I
311039.7475 5.1367 -5.7091 3 688.5748489 89502 303813447 803546 a-Alanine, conf. I
311053.6515 1.4808 -5.9181 3 856.6157453 89502 3037567 8 7566 9 a-Alanine, conf. I
311053.6515 1.4808 -5.9181 3 856.6157453 89502 3037567 9 756610 a-Alanine, conf. I
311061.4387 0.5728 -4.6915 3 353.4983411 89502 30368 167 67 166 a-Alanine, conf. I
311061.4387 0.5728 -4.0637 3 353.4983411 89502 30368 167 67 266 a-Alanine, conf. I
311061.4387 0.5728 -4.0637 3 353.4983411 89502 30368 267 67 166 a-Alanine, conf. I
311061.4387 0.5728 -4.6915 3 353.4983411 89502 30368 267 67 266 a-Alanine, conf. I
311072.2174 0.3622 -5.1817 3 414.8000345 89502 303574017 564016 a-Alanine, conf. I
311072.2174 0.3622 -5.1817 3 414.8000345 89502 303574018 564017 a-Alanine, conf. I
311130.2807 1.5235 -5.9386 3 843.0555447 89502 3037467 7 7466 8 a-Alanine, conf. I
311130.2807 1.5235 -5.9386 3 843.0555447 89502 3037467 8 7466 9 a-Alanine, conf. I
311140.5779 0.3031 -4.7428 3 338.7193369 89502 303611150 601149 a-Alanine, conf. I
311140.5779 0.3031 -4.2528 3 338.7193369 89502 303611150 601249 a-Alanine, conf. I
311140.5779 0.3031 -4.2528 3 338.7193369 89502 303611250 601149 a-Alanine, conf. I
311140.5779 0.3031 -4.7428 3 338.7193369 89502 303611250 601249 a-Alanine, conf. I
311203.3678 1.5678 -5.9662 3 829.6764441 89502 3037367 6 7366 7 a-Alanine, conf. I
311203.3678 1.5678 -5.9662 3 829.6764441 89502 3037367 7 7366 8 a-Alanine, conf. I
311208.0345 0.1530 -5.2544 3 188.9511261 89502 303431826 421726 a-Alanine, conf. I
311236.9552 0.7067 -5.2452 3 213.0371279 89502 303461729 451629 a-Alanine, conf. I
311282.6408 0.3736 -5.1481 3 408.6912345 89502 303573918 563917 a-Alanine, conf. I
311282.6408 0.3736 -5.1481 3 408.6912345 89502 303573919 563918 a-Alanine, conf. I
311344.4245 5.8738 -5.6452 3 573.4318453 89502 303752749 742846 a-Alanine, conf. I
311366.2585 0.7653 -4.7484 3 308.3830333 89502 303552135 542134 a-Alanine, conf. I
311471.2183 0.0979 -4.3836 3 183.4085255 89502 303421924 411823 a-Alanine, conf. I
311486.9832 0.7423 -4.8316 3 334.5312339 89502 303562631 552630 a-Alanine, conf. I
311488.2274 0.7428 -4.8316 3 334.5312339 89502 303562630 552629 a-Alanine, conf. I
311512.1906 0.3887 -5.1161 3 402.7474345 89502 303573819 563818 a-Alanine, conf. I
311512.1906 0.3887 -5.1161 3 402.7474345 89502 303573820 563819 a-Alanine, conf. I
311557.2194 0.0987 -5.2489 3 183.4085255 89502 303421923 411823 a-Alanine, conf. I
311567.4484 0.0745 -5.2196 3 165.8792231 89502 303382315 372215 a-Alanine, conf. I
311567.4484 0.0745 -4.1811 3 165.8792231 89502 303382316 372215 a-Alanine, conf. I
311567.4485 0.0745 -4.1811 3 165.8792231 89502 303382315 372216 a-Alanine, conf. I
311567.4485 0.0745 -5.2196 3 165.8792231 89502 303382316 372216 a-Alanine, conf. I
311571.4853 0.0890 -5.1452 3 154.7676189 89502 3033131 0 3030 0 a-Alanine, conf. I
311571.4853 0.0890 -3.9802 3 154.7676189 89502 3033131 0 3030 1 a-Alanine, conf. I
311571.4853 0.0890 -3.9802 3 154.7676189 89502 3033131 1 3030 0 a-Alanine, conf. I
311571.4853 0.0890 -5.1452 3 154.7676189 89502 3033131 1 3030 1 a-Alanine, conf. I
311601.1744 0.2413 -5.4375 3 158.1898255 89502 30342 834 41 734 a-Alanine, conf. I
311601.1803 0.2413 -5.4375 3 158.1898255 89502 30342 934 41 834 a-Alanine, conf. I
311619.2781 0.3679 -4.7111 3 352.3330399 89502 30366 462 65 461 a-Alanine, conf. I
311619.2781 0.3679 -4.1128 3 352.3330399 89502 30366 462 65 561 a-Alanine, conf. I
311619.2781 0.3679 -4.1128 3 352.3330399 89502 30366 562 65 461 a-Alanine, conf. I
311619.2781 0.3679 -4.7111 3 352.3330399 89502 30366 562 65 561 a-Alanine, conf. I
311650.0867 2.7834 -5.5582 3 559.2793447 89502 303742748 732845 a-Alanine, conf. I
311686.5279 0.2773 -5.2565 3 197.2997267 89502 303441826 431726 a-Alanine, conf. I
311763.2277 0.4071 -5.0857 3 396.9697345 89502 303573720 563719 a-Alanine, conf. I
311763.2277 0.4071 -5.0857 3 396.9697345 89502 303573721 563720 a-Alanine, conf. I
311788.0309 0.1068 -5.2483 3 183.3979255 89502 303421924 411824 a-Alanine, conf. I
311790.1763 0.3056 -4.3392 3 330.9990357 89502 303591445 581544 a-Alanine, conf. I
311790.2032 0.3056 -4.7487 3 330.9990357 89502 303591545 581544 a-Alanine, conf. I
311790.2391 0.3056 -4.7487 3 330.9990357 89502 303591445 581444 a-Alanine, conf. I
311790.2659 0.3056 -4.3392 3 330.9990357 89502 303591545 581444 a-Alanine, conf. I
311874.0320 0.1131 -4.3827 3 183.3979255 89502 303421923 411824 a-Alanine, conf. I
312004.9649 0.0824 -4.2184 3 169.6184237 89502 303392218 382117 a-Alanine, conf. I
312004.9667 0.0824 -5.2271 3 169.6184237 89502 303392217 382117 a-Alanine, conf. I
312004.9751 0.0824 -5.2271 3 169.6184237 89502 303392218 382118 a-Alanine, conf. I
312004.9770 0.0824 -4.2184 3 169.6184237 89502 303392217 382118 a-Alanine, conf. I
312038.5329 0.4285 -5.0567 3 391.3592345 89502 303573621 563620 a-Alanine, conf. I
312038.5329 0.4285 -5.0567 3 391.3592345 89502 303573622 563621 a-Alanine, conf. I
312069.9354 0.3004 -4.7275 3 349.2664387 89502 30364 757 63 756 a-Alanine, conf. I
312069.9354 0.3004 -4.1665 3 349.2664387 89502 30364 757 63 856 a-Alanine, conf. I
312069.9354 0.3004 -4.1665 3 349.2664387 89502 30364 857 63 756 a-Alanine, conf. I
312069.9354 0.3004 -4.7275 3 349.2664387 89502 30364 857 63 856 a-Alanine, conf. I
312091.1884 1.2772 -4.7586 3 311.1634333 89502 303552233 542232 a-Alanine, conf. I
312117.3202 0.4896 -5.3207 3 177.4813261 89502 303431231 421131 a-Alanine, conf. I
312185.4622 0.4803 -5.3205 3 177.4819261 89502 303431331 421231 a-Alanine, conf. I
312234.5272 4.2977 -5.4984 3 580.1400453 89502 303752947 743044 a-Alanine, conf. I
312234.8738 0.0979 -4.3145 3 178.3469249 89502 303412022 401921 a-Alanine, conf. I
312238.3378 0.0981 -5.2415 3 178.3469249 89502 303412021 401921 a-Alanine, conf. I
312244.5856 15.8381 -5.9637 3 650.2049483 89502 303802853 792950 a-Alanine, conf. I
312249.7841 0.0986 -5.2414 3 178.3464249 89502 303412022 401922 a-Alanine, conf. I
312253.2480 0.0989 -4.3145 3 178.3464249 89502 303412021 401922 a-Alanine, conf. I
312269.5612 0.0907 -4.2618 3 173.7658243 89502 303402120 392019 a-Alanine, conf. I
312269.6574 0.0907 -5.2344 3 173.7658243 89502 303402119 392019 a-Alanine, conf. I
312270.0329 0.0907 -5.2344 3 173.7658243 89502 303402120 392020 a-Alanine, conf. I
312270.1292 0.0908 -4.2618 3 173.7658243 89502 303402119 392020 a-Alanine, conf. I
312306.0885 0.0703 -5.1541 3 155.7780195 89502 3033230 2 3129 2 a-Alanine, conf. I
312306.0885 0.0703 -4.0001 3 155.7780195 89502 3033230 2 3129 3 a-Alanine, conf. I
312306.0885 0.0703 -4.0001 3 155.7780195 89502 3033230 3 3129 2 a-Alanine, conf. I
312306.0885 0.0703 -5.1541 3 155.7780195 89502 3033230 3 3129 3 a-Alanine, conf. I
312329.6919 0.6827 -4.6853 3 356.9051417 89502 30369 069 68 068 a-Alanine, conf. I
312329.6919 0.6827 -4.0490 3 356.9051417 89502 30369 069 68 168 a-Alanine, conf. I
312329.6919 0.6827 -4.0490 3 356.9051417 89502 30369 169 68 068 a-Alanine, conf. I
312329.6919 0.6827 -4.6853 3 356.9051417 89502 30369 169 68 168 a-Alanine, conf. I
312341.4098 0.4526 -5.0290 3 385.9173345 89502 303573522 563521 a-Alanine, conf. I
312341.4098 0.4526 -5.0290 3 385.9173345 89502 303573523 563522 a-Alanine, conf. I
312450.7151 8.8086 -5.3874 3 518.2978429 89502 303712744 702843 a-Alanine, conf. I
312484.4191 0.3039 -4.7401 3 344.2687375 89502 303621052 611051 a-Alanine, conf. I
312484.4191 0.3039 -4.2286 3 344.2687375 89502 303621052 611151 a-Alanine, conf. I
312484.4191 0.3039 -4.2286 3 344.2687375 89502 303621152 611051 a-Alanine, conf. I
312484.4191 0.3039 -4.7401 3 344.2687375 89502 303621152 611151 a-Alanine, conf. I
312524.6849 0.8072 -4.8122 3 330.9141339 89502 303562532 552531 a-Alanine, conf. I
312531.6943 5.1894 -5.6629 3 668.9779483 89502 303803348 793445 a-Alanine, conf. I
312536.0688 0.8113 -4.8122 3 330.9144339 89502 303562531 552530 a-Alanine, conf. I
312541.3149 2.9620 -5.4797 3 562.5490447 89502 303742847 732944 a-Alanine, conf. I
312608.9688 6.2621 -5.5264 3 598.1198459 89502 303763046 753145 a-Alanine, conf. I
312609.4210 0.3271 -4.4833 3 188.9511261 89502 303431825 421726 a-Alanine, conf. I
312648.6586 5.2972 -5.6626 3 668.9777483 89502 303803347 793446 a-Alanine, conf. I
312662.8820 0.3200 -4.7409 3 313.4955339 89502 303561938 551937 a-Alanine, conf. I
312675.8233 0.4792 -5.0026 3 380.6455345 89502 303573423 563422 a-Alanine, conf. I
312675.8233 0.4792 -5.0026 3 380.6455345 89502 303573424 563423 a-Alanine, conf. I
312817.6072 0.5762 -5.2697 3 192.7371267 89502 303441629 431529 a-Alanine, conf. I
312881.0419 0.2183 -5.4795 3 154.8620255 89502 30342 735 41 635 a-Alanine, conf. I
312881.0421 0.2183 -5.4795 3 154.8620255 89502 30342 835 41 735 a-Alanine, conf. I
312937.9902 0.4271 -4.7058 3 356.3784405 89502 30367 364 66 363 a-Alanine, conf. I
312937.9902 0.4271 -4.0967 3 356.3784405 89502 30367 364 66 463 a-Alanine, conf. I
312937.9902 0.4271 -4.0967 3 356.3784405 89502 30367 464 66 363 a-Alanine, conf. I
312937.9902 0.4271 -4.7058 3 356.3784405 89502 30367 464 66 463 a-Alanine, conf. I
313016.1447 0.3106 -4.3058 3 337.2602363 89502 303601347 591446 a-Alanine, conf. I
313016.1455 0.3106 -4.7479 3 337.2602363 89502 303601447 591446 a-Alanine, conf. I
313016.1466 0.3106 -4.7479 3 337.2602363 89502 303601347 591346 a-Alanine, conf. I
313016.1473 0.3106 -4.3058 3 337.2602363 89502 303601447 591346 a-Alanine, conf. I
313034.9023 0.0584 -5.1630 3 157.1378201 89502 3033329 4 3228 4 a-Alanine, conf. I
313034.9023 0.0584 -4.0210 3 157.1378201 89502 3033329 4 3228 5 a-Alanine, conf. I
313034.9023 0.0584 -4.0210 3 157.1378201 89502 3033329 5 3228 4 a-Alanine, conf. I
313034.9023 0.0584 -5.1630 3 157.1378201 89502 3033329 5 3228 5 a-Alanine, conf. I
313046.5882 0.5083 -4.9772 3 375.5456345 89502 303573324 563323 a-Alanine, conf. I
313046.5882 0.5083 -4.9772 3 375.5456345 89502 303573325 563324 a-Alanine, conf. I
313054.6156 1.6487 -4.9761 3 150.3473237 89502 303391425 381326 a-Alanine, conf. I
313068.1150 0.3905 -5.2584 3 194.9042267 89502 303441728 431628 a-Alanine, conf. I
313174.6841 0.8358 -5.2863 3 190.3946267 89502 303441430 431330 a-Alanine, conf. I
313207.9328 0.3108 -4.4768 3 320.9328345 89502 303571740 561839 a-Alanine, conf. I
313324.9423 1.4921 -4.6072 3 292.7647327 89502 303541936 531835 a-Alanine, conf. I
313328.4402 5.2847 -5.9529 3 807.6654525 89502 303873949 864046 a-Alanine, conf. I
313328.5048 5.2847 -5.9529 3 807.6654525 89502 303873948 864047 a-Alanine, conf. I
313351.5706 0.3010 -4.7453 3 320.9328345 89502 303571840 561839 a-Alanine, conf. I
313422.4908 0.3154 -4.7231 3 353.9526393 89502 30365 659 64 658 a-Alanine, conf. I
313422.4908 0.3154 -4.1483 3 353.9526393 89502 30365 659 64 758 a-Alanine, conf. I
313422.4908 0.3154 -4.1483 3 353.9526393 89502 30365 759 64 658 a-Alanine, conf. I
313422.4908 0.3154 -4.7231 3 353.9526393 89502 30365 759 64 758 a-Alanine, conf. I
313459.6316 0.5399 -4.9529 3 370.6198345 89502 303573225 563224 a-Alanine, conf. I
313459.6316 0.5399 -4.9529 3 370.6198345 89502 303573226 563225 a-Alanine, conf. I
313494.2631 0.2980 -4.7449 3 320.9232345 89502 303571740 561739 a-Alanine, conf. I
313496.8666 3.4976 -4.7988 3 340.0998351 89502 303582038 572137 a-Alanine, conf. I
313625.5110 0.2926 -5.3881 3 98.5891201 89502 30333 825 32 726 a-Alanine, conf. I
313637.9009 0.3003 -4.4755 3 320.9232345 89502 303571840 561739 a-Alanine, conf. I
313645.4804 0.2913 -5.3881 3 98.5891201 89502 30333 925 32 626 a-Alanine, conf. I
313754.0598 0.0536 -5.1718 3 158.8499207 89502 3033428 6 3327 6 a-Alanine, conf. I
313754.0598 0.0536 -4.0432 3 158.8499207 89502 3033428 6 3327 7 a-Alanine, conf. I
313754.0598 0.0536 -4.0432 3 158.8499207 89502 3033428 7 3327 6 a-Alanine, conf. I
313754.0598 0.0536 -5.1718 3 158.8499207 89502 3033428 7 3327 7 a-Alanine, conf. I
313782.1085 0.8819 -4.7932 3 327.5202339 89502 303562433 552432 a-Alanine, conf. I
313836.8477 1.0333 -5.9437 3 159.3770243 89502 303401525 391326 a-Alanine, conf. I
313839.9789 0.3045 -4.7370 3 349.6089381 89502 30363 954 62 953 a-Alanine, conf. I
313839.9789 0.3045 -4.2065 3 349.6089381 89502 30363 954 621053 a-Alanine, conf. I
313839.9789 0.3045 -4.2065 3 349.6089381 89502 303631054 62 953 a-Alanine, conf. I
313839.9789 0.3045 -4.7370 3 349.6089381 89502 303631054 621053 a-Alanine, conf. I
313870.6854 0.9109 -4.7929 3 327.5228339 89502 303562432 552431 a-Alanine, conf. I
313922.3692 0.5742 -4.9296 3 365.8708345 89502 303573126 563125 a-Alanine, conf. I
313922.3692 0.5742 -4.9296 3 365.8708345 89502 303573127 563126 a-Alanine, conf. I
313932.9112 0.3657 -4.7059 3 294.6077327 89502 303541935 531934 a-Alanine, conf. I
313951.2194 0.5241 -5.1544 3 117.3265213 89502 303351224 34 925 a-Alanine, conf. I
314009.0271 5.2865 -5.9031 3 786.1593519 89502 303863849 853946 a-Alanine, conf. I
314009.3068 5.2869 -5.9031 3 786.1593519 89502 303863848 853947 a-Alanine, conf. I
314029.8653 0.2149 -5.5306 3 151.3914255 89502 30342 636 41 536 a-Alanine, conf. I
314029.8653 0.2149 -5.5306 3 151.3914255 89502 30342 736 41 636 a-Alanine, conf. I
314055.5456 1.9235 -4.6327 3 282.6153321 89502 303531935 521834 a-Alanine, conf. I
314067.9334 1.0564 -4.5807 3 303.0193333 89502 303551937 541836 a-Alanine, conf. I
314101.7841 0.3073 -4.4169 3 328.0420351 89502 303581642 571741 a-Alanine, conf. I
314109.7162 0.3071 -4.7484 3 328.0420351 89502 303581742 571741 a-Alanine, conf. I
314118.6993 0.3070 -4.7484 3 328.0414351 89502 303581642 571641 a-Alanine, conf. I
314126.6314 0.3069 -4.4168 3 328.0414351 89502 303581742 571641 a-Alanine, conf. I
314175.6694 0.3298 -4.7360 3 313.3823339 89502 303561838 551837 a-Alanine, conf. I
314239.5579 0.5046 -4.7002 3 360.2257411 89502 30368 266 67 265 a-Alanine, conf. I
314239.5579 0.5046 -4.0813 3 360.2257411 89502 30368 266 67 365 a-Alanine, conf. I
314239.5579 0.5046 -4.0813 3 360.2257411 89502 30368 366 67 265 a-Alanine, conf. I
314239.5579 0.5046 -4.7002 3 360.2257411 89502 30368 366 67 365 a-Alanine, conf. I
314303.8389 0.3142 -4.2768 3 343.2897369 89502 303611249 601348 a-Alanine, conf. I
314303.8389 0.3142 -4.7465 3 343.2897369 89502 303611349 601348 a-Alanine, conf. I
314303.8390 0.3142 -4.7465 3 343.2897369 89502 303611249 601248 a-Alanine, conf. I
314303.8390 0.3142 -4.2768 3 343.2897369 89502 303611349 601248 a-Alanine, conf. I
314346.6069 5.2664 -5.6177 3 649.7382477 89502 303793248 783345 a-Alanine, conf. I
314355.4750 1.3333 -4.7113 3 296.2729327 89502 303542034 532033 a-Alanine, conf. I
314371.7222 0.4075 -5.3411 3 174.6852261 89502 303431132 421032 a-Alanine, conf. I
314378.7626 0.4065 -5.3411 3 174.6853261 89502 303431232 421132 a-Alanine, conf. I
314436.8630 0.3269 -5.2521 3 205.7618273 89502 303451827 441727 a-Alanine, conf. I
314444.2622 0.6116 -4.9072 3 361.3017345 89502 303573028 563027 a-Alanine, conf. I
314444.2624 0.6116 -4.9072 3 361.3017345 89502 303573027 563026 a-Alanine, conf. I
314457.9451 0.0548 -5.1804 3 160.9177213 89502 3033527 8 3426 8 a-Alanine, conf. I
314457.9451 0.0548 -4.0669 3 160.9177213 89502 3033527 8 3426 9 a-Alanine, conf. I
314457.9451 0.0548 -4.0669 3 160.9177213 89502 3033527 9 3426 8 a-Alanine, conf. I
314457.9451 0.0548 -5.1804 3 160.9177213 89502 3033527 9 3426 9 a-Alanine, conf. I
314465.4515 1.0869 -4.6210 3 186.8103261 89502 303431726 421627 a-Alanine, conf. I
314746.9679 5.6039 -5.6165 3 649.7373477 89502 303793247 783346 a-Alanine, conf. I
314757.8285 0.1849 -5.6283 3 88.0899195 89502 30332 626 31 527 a-Alanine, conf. I
314758.0437 0.1849 -5.6283 3 88.0899195 89502 30332 726 31 427 a-Alanine, conf. I
314764.8740 0.3433 -4.7186 3 358.4394399 89502 30366 561 65 560 a-Alanine, conf. I
314764.8740 0.3433 -4.1310 3 358.4394399 89502 30366 561 65 660 a-Alanine, conf. I
314764.8740 0.3433 -4.1310 3 358.4394399 89502 30366 661 65 560 a-Alanine, conf. I
314764.8740 0.3433 -4.7186 3 358.4394399 89502 30366 661 65 660 a-Alanine, conf. I
314821.9342 1.6750 -4.6616 3 326.6991345 89502 303571938 562037 a-Alanine, conf. I
314831.5665 5.3050 -5.8539 3 764.9994513 89502 303853749 843846 a-Alanine, conf. I
314832.7358 5.3065 -5.8539 3 764.9994513 89502 303853748 843847 a-Alanine, conf. I
314864.7587 0.6287 -5.2822 3 190.4181267 89502 303441530 431430 a-Alanine, conf. I
314885.2982 1.2995 -5.9481 3 1012.5255513 89502 303856817 856718 a-Alanine, conf. I
314885.2982 1.2995 -5.9481 3 1012.5255513 89502 303856818 856719 a-Alanine, conf. I
314899.6451 0.5747 -5.8693 3 519.2690351 89502 3035853 5 5753 4 a-Alanine, conf. I
314899.6451 0.5747 -5.8693 3 519.2690351 89502 3035853 6 5753 5 a-Alanine, conf. I
314963.3063 8.3550 -5.4331 3 548.7733441 89502 303732845 722944 a-Alanine, conf. I
314981.7749 0.5404 -5.7768 3 511.0694351 89502 3035852 6 5752 5 a-Alanine, conf. I
314981.7749 0.5404 -5.7768 3 511.0694351 89502 3035852 7 5752 6 a-Alanine, conf. I
314996.0881 1.3095 -5.9390 3 997.1573507 89502 303846816 846717 a-Alanine, conf. I
314996.0881 1.3095 -5.9390 3 997.1573507 89502 303846817 846718 a-Alanine, conf. I
315037.6743 0.6527 -4.8857 3 356.9164345 89502 303572929 562928 a-Alanine, conf. I
315037.6763 0.6527 -4.8857 3 356.9164345 89502 303572928 562927 a-Alanine, conf. I
315070.0064 0.5083 -5.6968 3 503.0289351 89502 3035851 7 5751 6 a-Alanine, conf. I
315070.0064 0.5083 -5.6968 3 503.0289351 89502 3035851 8 5751 7 a-Alanine, conf. I
315071.0068 0.2312 -5.5941 3 147.7823255 89502 30342 537 41 437 a-Alanine, conf. I
315071.0068 0.2312 -5.5941 3 147.7823255 89502 30342 637 41 537 a-Alanine, conf. I
315102.5272 1.3252 -5.9316 3 981.9702501 89502 303836815 836716 a-Alanine, conf. I
315102.5272 1.3252 -5.9316 3 981.9702501 89502 303836816 836717 a-Alanine, conf. I
315103.7131 0.3136 -4.3713 3 334.8532357 89502 303591544 581643 a-Alanine, conf. I
315104.0506 0.3136 -4.7499 3 334.8532357 89502 303591644 581643 a-Alanine, conf. I
315104.4724 0.3136 -4.7499 3 334.8532357 89502 303591544 581543 a-Alanine, conf. I
315104.8099 0.3136 -4.3713 3 334.8532357 89502 303591644 581543 a-Alanine, conf. I
315138.3763 0.0596 -5.1888 3 163.3457219 89502 303362610 352510 a-Alanine, conf. I
315138.3763 0.0596 -4.0924 3 163.3457219 89502 303362610 352511 a-Alanine, conf. I
315138.3763 0.0596 -4.0924 3 163.3457219 89502 303362611 352510 a-Alanine, conf. I
315138.3763 0.0596 -5.1888 3 163.3457219 89502 303362611 352511 a-Alanine, conf. I
315164.8261 0.4787 -5.6261 3 495.1477351 89502 3035850 8 5750 7 a-Alanine, conf. I
315164.8261 0.4787 -5.6261 3 495.1477351 89502 3035850 9 5750 8 a-Alanine, conf. I
315198.9433 0.3069 -4.7335 3 354.7438387 89502 30364 856 63 855 a-Alanine, conf. I
315198.9433 0.3069 -4.1862 3 354.7438387 89502 30364 856 63 955 a-Alanine, conf. I
315198.9433 0.3069 -4.1862 3 354.7438387 89502 30364 956 63 855 a-Alanine, conf. I
315198.9433 0.3069 -4.7335 3 354.7438387 89502 30364 956 63 955 a-Alanine, conf. I
315204.7193 1.3462 -5.9263 3 966.9642495 89502 303826814 826715 a-Alanine, conf. I
315204.7193 1.3462 -5.9263 3 966.9642495 89502 303826815 826716 a-Alanine, conf. I
315248.3362 0.9441 -4.7745 3 324.3663339 89502 303562334 552333 a-Alanine, conf. I
315266.7738 0.4520 -5.5627 3 487.4260351 89502 3035849 9 5749 8 a-Alanine, conf. I
315266.7738 0.4520 -5.5627 3 487.4260351 89502 303584910 5749 9 a-Alanine, conf. I
315302.7672 1.3720 -5.9233 3 952.1392489 89502 303816813 816714 a-Alanine, conf. I
315302.7672 1.3720 -5.9233 3 952.1392489 89502 303816814 816715 a-Alanine, conf. I
315376.4505 0.4284 -5.5049 3 479.8642351 89502 303584810 5748 9 a-Alanine, conf. I
315376.4505 0.4284 -5.5049 3 479.8642351 89502 303584811 574810 a-Alanine, conf. I
315396.7724 1.4020 -5.9228 3 937.4953483 89502 303806812 806713 a-Alanine, conf. I
315396.7724 1.4020 -5.9228 3 937.4953483 89502 303806813 806714 a-Alanine, conf. I
315455.4230 1.6591 -4.7622 3 176.8402255 89502 303421626 411527 a-Alanine, conf. I
315486.8355 1.4357 -5.9253 3 923.0324477 89502 303796811 796712 a-Alanine, conf. I
315486.8355 1.4357 -5.9253 3 923.0324477 89502 303796812 796713 a-Alanine, conf. I
315494.5270 0.4084 -5.4519 3 472.4627351 89502 303584711 574710 a-Alanine, conf. I
315494.5270 0.4084 -5.4519 3 472.4627351 89502 303584712 574711 a-Alanine, conf. I
315522.2335 0.6002 -4.6945 3 363.8742417 89502 30369 168 68 167 a-Alanine, conf. I
315522.2335 0.6002 -4.0665 3 363.8742417 89502 30369 168 68 267 a-Alanine, conf. I
315522.2335 0.6002 -4.0665 3 363.8742417 89502 30369 268 68 167 a-Alanine, conf. I
315522.2335 0.6002 -4.6945 3 363.8742417 89502 30369 268 68 267 a-Alanine, conf. I
315573.0557 1.4726 -5.9311 3 908.7505471 89502 303786810 786711 a-Alanine, conf. I
315573.0557 1.4726 -5.9311 3 908.7505471 89502 303786811 786712 a-Alanine, conf. I
315621.7548 0.3923 -5.4029 3 465.2218351 89502 303584612 574611 a-Alanine, conf. I
315621.7548 0.3923 -5.4029 3 465.2218351 89502 303584613 574612 a-Alanine, conf. I
315628.3222 0.3161 -4.7445 3 349.0979375 89502 303621151 611150 a-Alanine, conf. I
315628.3222 0.3161 -4.2510 3 349.0979375 89502 303621151 611250 a-Alanine, conf. I
315628.3222 0.3161 -4.2510 3 349.0979375 89502 303621251 611150 a-Alanine, conf. I
315628.3222 0.3161 -4.7445 3 349.0979375 89502 303621251 611250 a-Alanine, conf. I
315649.0114 0.4609 -4.7397 3 316.1702339 89502 303562037 552036 a-Alanine, conf. I
315655.5312 1.5124 -5.9408 3 894.6497465 89502 3037768 9 776710 a-Alanine, conf. I
315655.5312 1.5124 -5.9408 3 894.6497465 89502 303776810 776711 a-Alanine, conf. I
315719.2472 0.6985 -4.8649 3 352.7200345 89502 303572830 562829 a-Alanine, conf. I
315719.2730 0.6986 -4.8649 3 352.7200345 89502 303572829 562828 a-Alanine, conf. I
315721.4810 1.1570 -5.2729 3 200.8409273 89502 303451530 441430 a-Alanine, conf. I
315734.3589 1.5545 -5.9552 3 880.7300459 89502 3037668 8 7667 9 a-Alanine, conf. I
315734.3589 1.5545 -5.9552 3 880.7300459 89502 3037668 9 766710 a-Alanine, conf. I
315758.9783 0.3805 -5.3572 3 458.1419351 89502 303584513 574512 a-Alanine, conf. I
315758.9783 0.3805 -5.3572 3 458.1419351 89502 303584514 574513 a-Alanine, conf. I
315783.3159 0.0662 -5.1971 3 166.1396225 89502 303372512 362412 a-Alanine, conf. I
315783.3159 0.0662 -4.1202 3 166.1396225 89502 303372512 362413 a-Alanine, conf. I
315783.3159 0.0662 -4.1202 3 166.1396225 89502 303372513 362412 a-Alanine, conf. I
315783.3159 0.0662 -5.1971 3 166.1396225 89502 303372513 362413 a-Alanine, conf. I
315814.1023 1.1082 -4.7729 3 324.3851339 89502 303562333 552332 a-Alanine, conf. I
315824.8961 5.3439 -5.8053 3 744.1874507 89502 303843649 833746 a-Alanine, conf. I
315829.5971 5.3494 -5.8053 3 744.1874507 89502 303843648 833747 a-Alanine, conf. I
315907.1501 0.3732 -5.3144 3 451.2236351 89502 303584414 574413 a-Alanine, conf. I
315907.1501 0.3732 -5.3144 3 451.2236351 89502 303584415 574414 a-Alanine, conf. I
315998.1604 0.2488 -5.1314 3 127.7031219 89502 303361423 351124 a-Alanine, conf. I
316010.2554 0.1131 -4.4017 3 191.2855261 89502 303431925 421824 a-Alanine, conf. I
316015.0129 0.2396 -5.9149 3 88.1855183 89502 303301317 291020 a-Alanine, conf. I
316022.0154 0.2633 -5.6753 3 144.0378255 89502 30342 438 41 338 a-Alanine, conf. I
316022.0154 0.2633 -5.6753 3 144.0378255 89502 30342 538 41 438 a-Alanine, conf. I
316056.3933 0.7097 -4.5564 3 313.3823339 89502 303561938 551837 a-Alanine, conf. I
316056.5785 0.4970 -4.5440 3 323.9248345 89502 303571839 561938 a-Alanine, conf. I
316067.3487 0.3705 -5.2742 3 444.4672351 89502 303584315 574314 a-Alanine, conf. I
316067.3487 0.3705 -5.2742 3 444.4672351 89502 303584316 574315 a-Alanine, conf. I
316094.1292 0.3872 -4.7138 3 362.7275405 89502 30367 463 66 462 a-Alanine, conf. I
316094.1292 0.3872 -4.1147 3 362.7275405 89502 30367 463 66 562 a-Alanine, conf. I
316094.1292 0.3872 -4.1147 3 362.7275405 89502 30367 563 66 462 a-Alanine, conf. I
316094.1292 0.3872 -4.7138 3 362.7275405 89502 30367 563 66 562 a-Alanine, conf. I
316192.2201 2.2263 -4.6514 3 272.5795315 89502 303521934 511833 a-Alanine, conf. I
316205.2366 0.1051 -5.2434 3 191.2855261 89502 303431924 421824 a-Alanine, conf. I
316237.7774 0.3432 -5.3658 3 171.7154261 89502 303431033 42 933 a-Alanine, conf. I
316238.3693 0.3431 -5.3658 3 171.7154261 89502 303431133 421033 a-Alanine, conf. I
316240.8007 0.3724 -5.2363 3 437.8734351 89502 303584216 574215 a-Alanine, conf. I
316240.8007 0.3724 -5.2363 3 437.8734351 89502 303584217 574216 a-Alanine, conf. I
316252.3853 0.3195 -4.3340 3 341.3992363 89502 303601446 591545 a-Alanine, conf. I
316252.3967 0.3195 -4.7503 3 341.3992363 89502 303601546 591545 a-Alanine, conf. I
316252.4121 0.3195 -4.7503 3 341.3992363 89502 303601446 591445 a-Alanine, conf. I
316252.4236 0.3195 -4.3340 3 341.3992363 89502 303601546 591445 a-Alanine, conf. I
316359.6312 0.2031 -5.2480 3 197.0521267 89502 303441827 431727 a-Alanine, conf. I
316374.7403 0.0735 -5.2052 3 169.3067231 89502 303382414 372314 a-Alanine, conf. I
316374.7403 0.0735 -4.1507 3 169.3067231 89502 303382414 372315 a-Alanine, conf. I
316374.7403 0.0735 -4.1507 3 169.3067231 89502 303382415 372314 a-Alanine, conf. I
316374.7403 0.0735 -5.2052 3 169.3067231 89502 303382415 372315 a-Alanine, conf. I
316402.2565 5.2500 -5.5744 3 630.8609471 89502 303783148 773245 a-Alanine, conf. I
316428.9079 0.3788 -5.2004 3 431.4429351 89502 303584117 574116 a-Alanine, conf. I
316428.9079 0.3788 -5.2004 3 431.4429351 89502 303584118 574117 a-Alanine, conf. I
316512.1879 0.7508 -4.8447 3 348.7188345 89502 303572731 562730 a-Alanine, conf. I
316512.4815 0.7509 -4.8447 3 348.7188345 89502 303572730 562729 a-Alanine, conf. I
316555.2445 0.3144 -4.7298 3 359.6759393 89502 30365 758 64 757 a-Alanine, conf. I
316555.2445 0.3144 -4.1674 3 359.6759393 89502 30365 758 64 857 a-Alanine, conf. I
316555.2445 0.3144 -4.1674 3 359.6759393 89502 30365 858 64 757 a-Alanine, conf. I
316555.2445 0.3144 -4.7298 3 359.6759393 89502 30365 858 64 857 a-Alanine, conf. I
316614.2487 0.9173 -4.7573 3 321.4610339 89502 303562235 552234 a-Alanine, conf. I
316633.2804 0.3894 -5.1664 3 425.1763351 89502 303584018 574017 a-Alanine, conf. I
316633.2804 0.3894 -5.1664 3 425.1763351 89502 303584019 574018 a-Alanine, conf. I
316691.2106 0.1167 -5.2422 3 191.2628261 89502 303431925 421825 a-Alanine, conf. I
316769.6024 1.3875 -5.2597 3 211.3723279 89502 303461630 451530 a-Alanine, conf. I
316784.5053 0.7135 -4.6885 3 367.3233423 89502 30370 070 69 069 a-Alanine, conf. I
316784.5053 0.7135 -4.0522 3 367.3233423 89502 30370 070 69 169 a-Alanine, conf. I
316784.5053 0.7135 -4.0522 3 367.3233423 89502 30370 170 69 069 a-Alanine, conf. I
316784.5053 0.7135 -4.6885 3 367.3233423 89502 30370 170 69 169 a-Alanine, conf. I
316855.7785 0.4038 -5.1341 3 419.0745351 89502 303583919 573918 a-Alanine, conf. I
316855.7785 0.4038 -5.1341 3 419.0745351 89502 303583920 573919 a-Alanine, conf. I
316884.9169 0.0813 -5.2130 3 172.8569237 89502 303392316 382216 a-Alanine, conf. I
316884.9169 0.0813 -4.1848 3 172.8569237 89502 303392317 382216 a-Alanine, conf. I
316884.9174 0.0813 -5.2130 3 172.8569237 89502 303392317 382217 a-Alanine, conf. I
316884.9175 0.0813 -4.1848 3 172.8569237 89502 303392316 382217 a-Alanine, conf. I
316886.1918 0.1342 -4.3998 3 191.2628261 89502 303431924 421825 a-Alanine, conf. I
316896.4688 0.3063 -5.7845 3 140.1607255 89502 30342 339 41 239 a-Alanine, conf. I
316896.4688 0.3063 -5.7845 3 140.1607255 89502 30342 439 41 339 a-Alanine, conf. I
316973.5340 0.3168 -4.7421 3 354.6921381 89502 303631053 621052 a-Alanine, conf. I
316973.5340 0.3168 -4.2277 3 354.6921381 89502 303631053 621152 a-Alanine, conf. I
316973.5340 0.3168 -4.2277 3 354.6921381 89502 303631153 621052 a-Alanine, conf. I
316973.5340 0.3168 -4.7421 3 354.6921381 89502 303631153 621152 a-Alanine, conf. I
316996.2882 0.0831 -5.1395 3 160.3897195 89502 3033231 1 3130 1 a-Alanine, conf. I
316996.2882 0.0831 -3.9797 3 160.3897195 89502 3033231 1 3130 2 a-Alanine, conf. I
316996.2882 0.0831 -3.9797 3 160.3897195 89502 3033231 2 3130 1 a-Alanine, conf. I
316996.2882 0.0831 -5.1395 3 160.3897195 89502 3033231 2 3130 2 a-Alanine, conf. I
317025.2123 5.4070 -5.7573 3 723.7254501 89502 303833549 823646 a-Alanine, conf. I
317028.3552 0.7239 -4.7447 3 318.7690339 89502 303562136 552135 a-Alanine, conf. I
317043.2391 1.6709 -4.7300 3 308.6796333 89502 303552134 542133 a-Alanine, conf. I
317043.3393 5.4269 -5.7573 3 723.7254501 89502 303833548 823647 a-Alanine, conf. I
317068.1320 0.3194 -4.7426 3 323.9248345 89502 303571939 561938 a-Alanine, conf. I
317098.5651 0.4218 -5.1032 3 413.1383351 89502 303583820 573819 a-Alanine, conf. I
317098.5651 0.4218 -5.1032 3 413.1383351 89502 303583821 573820 a-Alanine, conf. I
317128.6052 0.2607 -5.2456 3 214.4734279 89502 303461828 451728 a-Alanine, conf. I
317266.4535 0.1041 -4.3255 3 185.9731255 89502 303422023 411922 a-Alanine, conf. I
317269.3564 0.0897 -4.2236 3 176.8035243 89502 303402219 392118 a-Alanine, conf. I
317269.3625 0.0897 -5.2206 3 176.8035243 89502 303402218 392118 a-Alanine, conf. I
317269.3886 0.0897 -5.2206 3 176.8035243 89502 303402219 392119 a-Alanine, conf. I
317269.3946 0.0897 -4.2236 3 176.8035243 89502 303402218 392119 a-Alanine, conf. I
317275.3111 0.1046 -5.2353 3 185.9731255 89502 303422022 411922 a-Alanine, conf. I
317302.9595 0.1060 -5.2352 3 185.9719255 89502 303422023 411923 a-Alanine, conf. I
317307.3892 0.6117 -5.2971 3 187.8924267 89502 303441331 431231 a-Alanine, conf. I
317311.8171 0.1066 -4.3254 3 185.9719255 89502 303422022 411923 a-Alanine, conf. I
317364.1737 0.4428 -5.0739 3 407.3690351 89502 303583721 573720 a-Alanine, conf. I
317364.1737 0.4428 -5.0739 3 407.3690351 89502 303583722 573721 a-Alanine, conf. I
317407.8501 0.4492 -4.7088 3 366.8169411 89502 30368 365 67 364 a-Alanine, conf. I
317407.8501 0.4492 -4.0991 3 366.8169411 89502 30368 365 67 464 a-Alanine, conf. I
317407.8501 0.4492 -4.0991 3 366.8169411 89502 30368 465 67 364 a-Alanine, conf. I
317407.8501 0.4492 -4.7088 3 366.8169411 89502 30368 465 67 464 a-Alanine, conf. I
317449.8572 0.8120 -4.8251 3 344.9213345 89502 303572632 562631 a-Alanine, conf. I
317451.3417 0.0982 -4.2693 3 181.1657249 89502 303412121 402020 a-Alanine, conf. I
317451.6184 0.0982 -5.2280 3 181.1657249 89502 303412120 402020 a-Alanine, conf. I
317452.6456 0.0983 -5.2280 3 181.1656249 89502 303412121 402021 a-Alanine, conf. I
317452.7756 0.8131 -4.8251 3 344.9213345 89502 303572631 562630 a-Alanine, conf. I
317452.9223 0.0983 -4.2693 3 181.1656249 89502 303412120 402021 a-Alanine, conf. I
317492.4226 0.3244 -4.3023 3 347.7013369 89502 303611348 601447 a-Alanine, conf. I
317492.4229 0.3244 -4.7497 3 347.7013369 89502 303611448 601447 a-Alanine, conf. I
317492.4234 0.3244 -4.7497 3 347.7013369 89502 303611348 601347 a-Alanine, conf. I
317492.4237 0.3244 -4.3023 3 347.7013369 89502 303611448 601347 a-Alanine, conf. I
317574.7250 0.5744 -5.2964 3 187.8953267 89502 303441431 431331 a-Alanine, conf. I
317627.7350 0.3182 -4.4623 3 331.3851351 89502 303581741 571840 a-Alanine, conf. I
317655.5955 0.4668 -5.0458 3 401.7677351 89502 303583622 573621 a-Alanine, conf. I
317655.5955 0.4668 -5.0458 3 401.7677351 89502 303583623 573622 a-Alanine, conf. I
317690.8745 6.2326 -5.5704 3 630.8578471 89502 303783147 773246 a-Alanine, conf. I
317698.5552 0.3145 -4.7473 3 331.3851351 89502 303581841 571840 a-Alanine, conf. I
317705.1234 0.3564 -5.9449 3 136.1532255 89502 30342 240 41 140 a-Alanine, conf. I
317705.1234 0.3564 -5.9449 3 136.1532255 89502 30342 340 41 240 a-Alanine, conf. I
317728.1388 0.0671 -5.1484 3 161.5867201 89502 3033330 3 3229 3 a-Alanine, conf. I
317728.1388 0.0671 -3.9998 3 161.5867201 89502 3033330 3 3229 4 a-Alanine, conf. I
317728.1388 0.0671 -3.9998 3 161.5867201 89502 3033330 4 3229 3 a-Alanine, conf. I
317728.1388 0.0671 -5.1484 3 161.5867201 89502 3033330 4 3229 4 a-Alanine, conf. I
317771.3729 0.3129 -4.7470 3 331.3803351 89502 303581741 571740 a-Alanine, conf. I
317780.5090 0.2770 -4.7117 3 305.0793333 89502 303551936 541935 a-Alanine, conf. I
317789.1547 0.3824 -5.2945 3 106.7262207 89502 30334 925 33 826 a-Alanine, conf. I
317842.1930 0.3125 -4.4616 3 331.3803351 89502 303581841 571740 a-Alanine, conf. I
317844.1872 0.2913 -5.3953 3 168.5837261 89502 30343 934 42 834 a-Alanine, conf. I
317844.2281 0.2913 -5.3953 3 168.5837261 89502 303431034 42 934 a-Alanine, conf. I
317887.3919 0.3757 -5.2943 3 106.7262207 89502 303341025 33 726 a-Alanine, conf. I
317904.3034 0.3310 -4.7258 3 364.4073399 89502 30366 660 65 659 a-Alanine, conf. I
317904.3034 0.3310 -4.1497 3 364.4073399 89502 30366 660 65 759 a-Alanine, conf. I
317904.3034 0.3310 -4.1497 3 364.4073399 89502 30366 760 65 659 a-Alanine, conf. I
317904.3034 0.3310 -4.7258 3 364.4073399 89502 30366 760 65 759 a-Alanine, conf. I
317913.3619 0.5435 -5.1058 3 125.7834219 89502 303361324 351025 a-Alanine, conf. I
317937.3025 0.3168 -4.7398 3 323.8620345 89502 303571839 561838 a-Alanine, conf. I
317976.3953 0.4933 -5.0189 3 396.3359351 89502 303583523 573522 a-Alanine, conf. I
317976.3953 0.4933 -5.0189 3 396.3359351 89502 303583524 573523 a-Alanine, conf. I
318279.2290 7.8994 -5.4779 3 580.1219453 89502 303752946 743045 a-Alanine, conf. I
318328.5585 0.3175 -4.7393 3 360.0775387 89502 30364 955 63 954 a-Alanine, conf. I
318328.5585 0.3175 -4.2066 3 360.0775387 89502 30364 955 631054 a-Alanine, conf. I
318328.5585 0.3175 -4.2066 3 360.0775387 89502 303641055 63 954 a-Alanine, conf. I
318328.5585 0.3175 -4.7393 3 360.0775387 89502 303641055 631054 a-Alanine, conf. I
318330.8673 0.5224 -4.9932 3 391.0752351 89502 303583424 573423 a-Alanine, conf. I
318330.8673 0.5224 -4.9932 3 391.0752351 89502 303583425 573424 a-Alanine, conf. I
318342.1236 1.9235 -5.5043 3 576.5238453 89502 303752848 742945 a-Alanine, conf. I
318425.1568 4.9381 -5.5353 3 612.3541465 89502 303773048 763145 a-Alanine, conf. I
318452.5958 0.0582 -5.1572 3 163.1343207 89502 3033429 5 3328 5 a-Alanine, conf. I
318452.5958 0.0582 -4.0211 3 163.1343207 89502 3033429 5 3328 6 a-Alanine, conf. I
318452.5958 0.0582 -4.0211 3 163.1343207 89502 3033429 6 3328 5 a-Alanine, conf. I
318452.5958 0.0582 -5.1572 3 163.1343207 89502 3033429 6 3328 6 a-Alanine, conf. I
318474.9451 5.4945 -5.7101 3 703.6161495 89502 303823449 813546 a-Alanine, conf. I
318508.8262 0.3213 -4.4076 3 338.5195357 89502 303591643 581742 a-Alanine, conf. I
318512.4998 0.3213 -4.7504 3 338.5195357 89502 303591743 581742 a-Alanine, conf. I
318516.7583 0.3212 -4.7503 3 338.5193357 89502 303591643 581642 a-Alanine, conf. I
318520.4319 0.3212 -4.4076 3 338.5193357 89502 303591743 581642 a-Alanine, conf. I
318541.7353 5.5620 -5.7099 3 703.6159495 89502 303823448 813547 a-Alanine, conf. I
318578.4944 0.8847 -4.8060 3 341.3389345 89502 303572533 562532 a-Alanine, conf. I
318603.5210 0.8938 -4.8059 3 341.3395345 89502 303572532 562531 a-Alanine, conf. I
318704.0313 0.5297 -4.7035 3 370.7076417 89502 30369 267 68 266 a-Alanine, conf. I
318704.0313 0.5297 -4.0842 3 370.7076417 89502 30369 267 68 366 a-Alanine, conf. I
318704.0313 0.5297 -4.0842 3 370.7076417 89502 30369 367 68 266 a-Alanine, conf. I
318704.0313 0.5297 -4.7035 3 370.7076417 89502 30369 367 68 366 a-Alanine, conf. I
318724.2480 0.5540 -4.9686 3 385.9877351 89502 303583325 573324 a-Alanine, conf. I
318724.2480 0.5540 -4.9686 3 385.9877351 89502 303583326 573325 a-Alanine, conf. I
318754.7609 1.1390 -5.2419 3 221.9386285 89502 303471730 461630 a-Alanine, conf. I
318787.6416 0.3277 -4.7486 3 353.7737375 89502 303621250 611249 a-Alanine, conf. I
318787.6416 0.3277 -4.2746 3 353.7737375 89502 303621250 611349 a-Alanine, conf. I
318787.6416 0.3277 -4.2746 3 353.7737375 89502 303621350 611249 a-Alanine, conf. I
318787.6416 0.3277 -4.7486 3 353.7737375 89502 303621350 611349 a-Alanine, conf. I
318946.6165 4.9034 -4.8837 3 364.8823363 89502 303602139 592238 a-Alanine, conf. I
318948.8559 0.4871 -4.5350 3 323.8620345 89502 303571939 561838 a-Alanine, conf. I
319111.0382 0.5641 -4.5170 3 197.0521267 89502 303441826 431727 a-Alanine, conf. I
319163.0172 0.5882 -4.9449 3 381.0757351 89502 303583226 573225 a-Alanine, conf. I
319163.0172 0.5882 -4.9449 3 381.0757351 89502 303583227 573226 a-Alanine, conf. I
319165.2099 0.0563 -5.1658 3 165.0356213 89502 3033528 7 3427 7 a-Alanine, conf. I
319165.2099 0.0563 -4.0437 3 165.0356213 89502 3033528 7 3427 8 a-Alanine, conf. I
319165.2099 0.0563 -4.0437 3 165.0356213 89502 3033528 8 3427 7 a-Alanine, conf. I
319165.2099 0.0563 -5.1658 3 165.0356213 89502 3033528 8 3427 8 a-Alanine, conf. I
319242.5595 0.3609 -4.7215 3 368.9389405 89502 30367 562 66 561 a-Alanine, conf. I
319242.5595 0.3609 -4.1331 3 368.9389405 89502 30367 562 66 661 a-Alanine, conf. I
319242.5595 0.3609 -4.1331 3 368.9389405 89502 30367 662 66 561 a-Alanine, conf. I
319242.5595 0.3609 -4.7215 3 368.9389405 89502 30367 662 66 661 a-Alanine, conf. I
319256.3126 0.2532 -5.4304 3 165.2986261 89502 30343 835 42 735 a-Alanine, conf. I
319256.3149 0.2532 -5.4304 3 165.2986261 89502 30343 935 42 835 a-Alanine, conf. I
319303.3779 2.3126 -4.6565 3 262.6792309 89502 303511933 501832 a-Alanine, conf. I
319327.3433 1.5427 -4.7494 3 321.5736339 89502 303562234 552233 a-Alanine, conf. I
319512.7707 0.5025 -5.2524 3 203.1716273 89502 303451729 441629 a-Alanine, conf. I
319546.5702 0.3278 -4.3651 3 345.3640363 89502 303601545 591644 a-Alanine, conf. I
319546.7188 0.3278 -4.7519 3 345.3640363 89502 303601645 591644 a-Alanine, conf. I
319546.9077 0.3278 -4.7519 3 345.3639363 89502 303601545 591544 a-Alanine, conf. I
319547.0563 0.3278 -4.3651 3 345.3639363 89502 303601645 591544 a-Alanine, conf. I
319562.6313 11.6094 -5.8224 3 634.9411477 89502 303792852 782949 a-Alanine, conf. I
319635.1861 3.9612 -5.5069 3 594.2324459 89502 303762948 753045 a-Alanine, conf. I
319655.3335 0.6254 -4.9222 3 376.3421351 89502 303583127 573126 a-Alanine, conf. I
319655.3335 0.6254 -4.9222 3 376.3421351 89502 303583128 573127 a-Alanine, conf. I
319685.6425 0.3204 -4.7362 3 365.2577393 89502 30365 857 64 856 a-Alanine, conf. I
319685.6425 0.3204 -4.1870 3 365.2577393 89502 30365 857 64 956 a-Alanine, conf. I
319685.6425 0.3204 -4.1870 3 365.2577393 89502 30365 957 64 856 a-Alanine, conf. I
319685.6425 0.3204 -4.7362 3 365.2577393 89502 30365 957 64 956 a-Alanine, conf. I
319839.8764 0.2342 -5.4951 3 96.0575201 89502 30333 726 32 627 a-Alanine, conf. I
319841.3456 0.2341 -5.4951 3 96.0575201 89502 30333 826 32 527 a-Alanine, conf. I
319859.5558 0.0595 -5.1744 3 167.2945219 89502 3033627 9 3526 9 a-Alanine, conf. I
319859.5558 0.0595 -4.0679 3 167.2945219 89502 3033627 9 352610 a-Alanine, conf. I
319859.5558 0.0595 -4.0679 3 167.2945219 89502 303362710 3526 9 a-Alanine, conf. I
319859.5558 0.0595 -5.1744 3 167.2945219 89502 303362710 352610 a-Alanine, conf. I
319909.8565 1.3657 -5.0520 3 141.2506231 89502 303381325 371226 a-Alanine, conf. I
319939.3457 0.9637 -4.7871 3 337.9869345 89502 303572434 562433 a-Alanine, conf. I
319980.9646 0.6285 -4.6981 3 374.3989423 89502 30370 169 69 168 a-Alanine, conf. I
319980.9646 0.6285 -4.0699 3 374.3989423 89502 30370 169 69 268 a-Alanine, conf. I
319980.9646 0.6285 -4.0699 3 374.3989423 89502 30370 269 69 168 a-Alanine, conf. I
319980.9646 0.6285 -4.6981 3 374.3989423 89502 30370 269 69 268 a-Alanine, conf. I
320023.5995 0.4978 -5.3138 3 185.1715267 89502 303441232 431132 a-Alanine, conf. I
320055.9376 0.4930 -5.3137 3 185.1718267 89502 303441332 431232 a-Alanine, conf. I
320115.6528 0.3295 -4.7469 3 359.6261381 89502 303631152 621151 a-Alanine, conf. I
320115.6528 0.3295 -4.2499 3 359.6261381 89502 303631152 621251 a-Alanine, conf. I
320115.6528 0.3295 -4.2499 3 359.6261381 89502 303631252 621151 a-Alanine, conf. I
320115.6528 0.3295 -4.7469 3 359.6261381 89502 303631252 621251 a-Alanine, conf. I
320120.3130 1.0236 -4.7866 3 337.9924345 89502 303572433 562432 a-Alanine, conf. I
320126.5086 0.1789 -5.7882 3 85.3792195 89502 30332 527 31 428 a-Alanine, conf. I
320126.5187 0.1789 -5.7882 3 85.3792195 89502 30332 627 31 328 a-Alanine, conf. I
320174.3116 0.1693 -4.4239 3 199.3786267 89502 303441926 431825 a-Alanine, conf. I
320211.6869 0.6659 -4.9003 3 371.7904351 89502 303583029 573028 a-Alanine, conf. I
320211.6873 0.6659 -4.9003 3 371.7904351 89502 303583028 573027 a-Alanine, conf. I
320212.4217 5.5915 -5.6637 3 683.8626489 89502 303813349 803446 a-Alanine, conf. I
320287.2464 0.6081 -5.8937 3 538.1287357 89502 3035954 5 5854 4 a-Alanine, conf. I
320287.2464 0.6081 -5.8937 3 538.1287357 89502 3035954 6 5854 5 a-Alanine, conf. I
320294.1159 0.6602 -5.2635 3 200.9208273 89502 303451630 441530 a-Alanine, conf. I
320368.2004 0.5724 -5.8008 3 529.7729357 89502 3035953 6 5853 5 a-Alanine, conf. I
320368.2004 0.5724 -5.8008 3 529.7729357 89502 3035953 7 5853 6 a-Alanine, conf. I
320412.0264 0.4138 -4.7404 3 326.6991345 89502 303572038 562037 a-Alanine, conf. I
320427.6538 0.1292 -5.2373 3 223.4188285 89502 303471829 461729 a-Alanine, conf. I
320446.4393 5.8088 -5.6630 3 683.8621489 89502 303813348 803447 a-Alanine, conf. I
320455.1084 0.5389 -5.7204 3 521.5761357 89502 3035952 7 5852 6 a-Alanine, conf. I
320455.1084 0.5389 -5.7204 3 521.5761357 89502 3035952 8 5852 7 a-Alanine, conf. I
320515.7093 0.2324 -5.4725 3 161.8663261 89502 30343 736 42 636 a-Alanine, conf. I
320515.7094 0.2324 -5.4725 3 161.8663261 89502 30343 836 42 736 a-Alanine, conf. I
320526.2990 0.0654 -5.1828 3 169.9157225 89502 303372611 362511 a-Alanine, conf. I
320526.2990 0.0654 -4.0940 3 169.9157225 89502 303372611 362512 a-Alanine, conf. I
320526.2990 0.0654 -4.0940 3 169.9157225 89502 303372612 362511 a-Alanine, conf. I
320526.2990 0.0654 -5.1828 3 169.9157225 89502 303372612 362512 a-Alanine, conf. I
320548.4342 0.5080 -5.6494 3 513.5385357 89502 3035951 8 5851 7 a-Alanine, conf. I
320548.4342 0.5080 -5.6494 3 513.5385357 89502 3035951 9 5851 8 a-Alanine, conf. I
320567.1681 0.4073 -4.7170 3 373.2712411 89502 30368 464 67 463 a-Alanine, conf. I
320567.1681 0.4073 -4.1173 3 373.2712411 89502 30368 464 67 563 a-Alanine, conf. I
320567.1681 0.4073 -4.1173 3 373.2712411 89502 30368 564 67 463 a-Alanine, conf. I
320567.1681 0.4073 -4.7170 3 373.2712411 89502 30368 564 67 563 a-Alanine, conf. I
320599.5852 0.1250 -5.2391 3 199.3786267 89502 303441925 431825 a-Alanine, conf. I
320648.6917 0.4798 -5.5855 3 505.6604357 89502 3035950 9 5850 8 a-Alanine, conf. I
320648.6917 0.4798 -5.5855 3 505.6604357 89502 303595010 5850 9 a-Alanine, conf. I
320675.7371 0.1831 -5.9118 3 168.5481249 89502 303411625 401426 a-Alanine, conf. I
320717.4146 0.3337 -4.3299 3 351.9482369 89502 303611447 601546 a-Alanine, conf. I
320717.4194 0.3337 -4.7524 3 351.9482369 89502 303611547 601546 a-Alanine, conf. I
320717.4260 0.3337 -4.7524 3 351.9482369 89502 303611447 601446 a-Alanine, conf. I
320717.4308 0.3337 -4.3299 3 351.9482369 89502 303611547 601446 a-Alanine, conf. I
320756.4517 0.4549 -5.5274 3 497.9422357 89502 303594910 5849 9 a-Alanine, conf. I
320756.4517 0.4549 -5.5274 3 497.9422357 89502 303594911 584910 a-Alanine, conf. I
320845.9189 0.7107 -4.8792 3 367.4250351 89502 303582930 572929 a-Alanine, conf. I
320845.9244 0.7107 -4.8792 3 367.4250351 89502 303582929 572928 a-Alanine, conf. I
320872.3497 0.4335 -5.4740 3 490.3841357 89502 303594811 584810 a-Alanine, conf. I
320872.3497 0.4335 -5.4740 3 490.3841357 89502 303594812 584811 a-Alanine, conf. I
320892.2367 0.4005 -4.5211 3 334.5010351 89502 303581840 571939 a-Alanine, conf. I
320917.8213 1.0643 -4.7042 3 306.7587333 89502 303552035 542034 a-Alanine, conf. I
320943.0671 5.6276 -5.9063 3 802.0405525 89502 303873850 863947 a-Alanine, conf. I
320943.6922 5.6284 -5.9063 3 802.0405525 89502 303873849 863948 a-Alanine, conf. I
320997.0961 0.4161 -5.4245 3 482.9865357 89502 303594712 584711 a-Alanine, conf. I
320997.0961 0.4161 -5.4245 3 482.9865357 89502 303594713 584712 a-Alanine, conf. I
321039.0714 0.3289 -4.7327 3 370.2351399 89502 30366 759 65 758 a-Alanine, conf. I
321039.0714 0.3289 -4.1688 3 370.2351399 89502 30366 759 65 858 a-Alanine, conf. I
321039.0714 0.3289 -4.1688 3 370.2351399 89502 30366 859 65 758 a-Alanine, conf. I
321039.0714 0.3289 -4.7327 3 370.2351399 89502 30366 859 65 858 a-Alanine, conf. I
321045.1482 0.3923 -4.7196 3 315.6794339 89502 303561937 551936 a-Alanine, conf. I
321131.4868 0.4029 -5.3784 3 475.7498357 89502 303594613 584612 a-Alanine, conf. I
321131.4868 0.4029 -5.3784 3 475.7498357 89502 303594614 584613 a-Alanine, conf. I
321151.7090 0.0725 -5.1911 3 172.9055231 89502 303382513 372413 a-Alanine, conf. I
321151.7090 0.0725 -4.1225 3 172.9055231 89502 303382513 372414 a-Alanine, conf. I
321151.7090 0.0725 -4.1225 3 172.9055231 89502 303382514 372413 a-Alanine, conf. I
321151.7090 0.0725 -5.1911 3 172.9055231 89502 303382514 372414 a-Alanine, conf. I
321237.1661 0.7453 -4.6924 3 377.8901429 89502 30371 071 70 070 a-Alanine, conf. I
321237.1661 0.7453 -4.0560 3 377.8901429 89502 30371 071 70 170 a-Alanine, conf. I
321237.1661 0.7453 -4.0560 3 377.8901429 89502 30371 171 70 070 a-Alanine, conf. I
321237.1661 0.7453 -4.6924 3 377.8901429 89502 30371 171 70 170 a-Alanine, conf. I
321253.9395 0.5020 -5.2156 3 115.0675213 89502 303351025 34 926 a-Alanine, conf. I
321276.4171 0.3942 -5.3353 3 468.6745357 89502 303594514 584513 a-Alanine, conf. I
321276.4171 0.3942 -5.3353 3 468.6745357 89502 303594515 584514 a-Alanine, conf. I
321422.9557 0.3266 -4.7450 3 334.5010351 89502 303581940 571939 a-Alanine, conf. I
321432.8977 0.3902 -5.2947 3 461.7611357 89502 303594415 584414 a-Alanine, conf. I
321432.8977 0.3902 -5.2947 3 461.7611357 89502 303594416 584415 a-Alanine, conf. I
321451.3730 1.0076 -4.7689 3 334.8818345 89502 303572335 562334 a-Alanine, conf. I
321461.8021 0.3301 -4.7447 3 365.2652387 89502 303641054 631053 a-Alanine, conf. I
321461.8021 0.3301 -4.2277 3 365.2652387 89502 303641054 631153 a-Alanine, conf. I
321461.8021 0.3301 -4.2277 3 365.2652387 89502 303641154 631053 a-Alanine, conf. I
321461.8021 0.3301 -4.7447 3 365.2652387 89502 303641154 631153 a-Alanine, conf. I
321575.6981 0.1310 -5.2368 3 199.3319267 89502 303441926 431826 a-Alanine, conf. I
321576.8851 0.7611 -4.8587 3 363.2513351 89502 303582831 572830 a-Alanine, conf. I
321576.9515 0.7611 -4.8587 3 363.2513351 89502 303582830 572829 a-Alanine, conf. I
321598.1381 1.9220 -4.9043 3 167.1005249 89502 303411526 401427 a-Alanine, conf. I
321602.0744 0.3910 -5.2564 3 455.0101357 89502 303594316 584315 a-Alanine, conf. I
321602.0744 0.3910 -5.2564 3 455.0101357 89502 303594317 584316 a-Alanine, conf. I
321651.3858 0.2320 -5.5237 3 158.2919261 89502 30343 637 42 537 a-Alanine, conf. I
321651.3858 0.2320 -5.5237 3 158.2919261 89502 30343 737 42 637 a-Alanine, conf. I
321676.4560 0.4718 -5.2148 3 115.0673213 89502 303351125 34 826 a-Alanine, conf. I
321685.4097 0.0983 -5.1254 3 165.1605195 89502 3033232 0 3131 0 a-Alanine, conf. I
321685.4097 0.0983 -3.9604 3 165.1605195 89502 3033232 0 3131 1 a-Alanine, conf. I
321685.4097 0.0983 -3.9604 3 165.1605195 89502 3033232 1 3131 0 a-Alanine, conf. I
321685.4097 0.0983 -5.1254 3 165.1605195 89502 3033232 1 3131 1 a-Alanine, conf. I
321715.1706 0.0803 -5.1991 3 176.2719237 89502 303392415 382315 a-Alanine, conf. I
321715.1706 0.0803 -4.1540 3 176.2719237 89502 303392415 382316 a-Alanine, conf. I
321715.1706 0.0803 -4.1540 3 176.2719237 89502 303392416 382315 a-Alanine, conf. I
321715.1706 0.0803 -5.1991 3 176.2719237 89502 303392416 382316 a-Alanine, conf. I
321748.4754 0.2785 -5.2423 3 205.3470273 89502 303451828 441728 a-Alanine, conf. I
321785.2517 0.3963 -5.2201 3 448.4221357 89502 303594217 584216 a-Alanine, conf. I
321785.2517 0.3963 -5.2201 3 448.4221357 89502 303594218 584217 a-Alanine, conf. I
321790.8188 1.1419 -4.6143 3 337.3869351 89502 303581939 572038 a-Alanine, conf. I
321862.0644 0.7951 -5.2782 3 198.4766273 89502 303451431 441331 a-Alanine, conf. I
321875.7992 0.4720 -4.7123 3 377.4045417 89502 30369 366 68 365 a-Alanine, conf. I
321875.7992 0.4720 -4.1022 3 377.4045417 89502 30369 366 68 465 a-Alanine, conf. I
321875.7992 0.4720 -4.1022 3 377.4045417 89502 30369 466 68 365 a-Alanine, conf. I
321875.7992 0.4720 -4.7123 3 377.4045417 89502 30369 466 68 465 a-Alanine, conf. I
321895.4940 5.6624 -5.8567 3 780.7182519 89502 303863750 853847 a-Alanine, conf. I
321898.0485 5.6657 -5.8567 3 780.7182519 89502 303863749 853848 a-Alanine, conf. I
321903.7901 0.3204 -4.7435 3 334.4673351 89502 303581840 571839 a-Alanine, conf. I
321969.7881 0.3385 -4.2997 3 358.2917375 89502 303621349 611448 a-Alanine, conf. I
321969.7882 0.3385 -4.7521 3 358.2917375 89502 303621449 611448 a-Alanine, conf. I
321969.7884 0.3385 -4.7521 3 358.2917375 89502 303621349 611348 a-Alanine, conf. I
321969.7885 0.3385 -4.2997 3 358.2917375 89502 303621449 611348 a-Alanine, conf. I
321983.9225 0.4060 -5.1857 3 441.9978357 89502 303594118 584117 a-Alanine, conf. I
321983.9225 0.4060 -5.1857 3 441.9978357 89502 303594119 584118 a-Alanine, conf. I
322000.9717 0.1787 -4.4201 3 199.3319267 89502 303441925 431826 a-Alanine, conf. I
322021.4722 0.3302 -4.4501 3 341.9823357 89502 303591742 581841 a-Alanine, conf. I
322055.8492 0.3288 -4.7498 3 341.9823357 89502 303591842 581841 a-Alanine, conf. I
322092.2923 0.3280 -4.7497 3 341.9800357 89502 303591742 581741 a-Alanine, conf. I
322126.6693 0.3275 -4.4498 3 341.9800357 89502 303591842 581741 a-Alanine, conf. I
322157.7033 0.4184 -5.3345 3 182.2640267 89502 303441133 431033 a-Alanine, conf. I
322160.8507 0.4179 -5.3345 3 182.2640267 89502 303441233 431133 a-Alanine, conf. I
322184.7554 0.0886 -4.1893 3 180.0258243 89502 303402318 392217 a-Alanine, conf. I
322184.7558 0.0886 -5.2070 3 180.0258243 89502 303402317 392217 a-Alanine, conf. I
322184.7573 0.0886 -5.2070 3 180.0258243 89502 303402318 392218 a-Alanine, conf. I
322184.7576 0.0886 -4.1893 3 180.0258243 89502 303402317 392218 a-Alanine, conf. I
322199.8042 0.4197 -5.1530 3 435.7380357 89502 303594019 584018 a-Alanine, conf. I
322199.8042 0.4197 -5.1530 3 435.7380357 89502 303594020 584019 a-Alanine, conf. I
322216.4394 0.1094 -4.3384 3 193.8009261 89502 303432024 421923 a-Alanine, conf. I
322234.3023 5.6415 -5.6187 3 664.4696483 89502 303803249 793346 a-Alanine, conf. I
322238.2619 0.1104 -5.2298 3 193.8009261 89502 303432023 421923 a-Alanine, conf. I
322272.3554 7.5382 -5.5230 3 612.3434465 89502 303773047 763146 a-Alanine, conf. I
322302.4405 0.1136 -5.2296 3 193.7981261 89502 303432024 421924 a-Alanine, conf. I
322324.2630 0.1151 -4.3381 3 193.7981261 89502 303432023 421924 a-Alanine, conf. I
322384.4953 0.3471 -4.7290 3 375.0114405 89502 30367 661 66 660 a-Alanine, conf. I
322384.4953 0.3471 -4.1518 3 375.0114405 89502 30367 661 66 760 a-Alanine, conf. I
322384.4953 0.3471 -4.1518 3 375.0114405 89502 30367 761 66 660 a-Alanine, conf. I
322384.4953 0.3471 -4.7290 3 375.0114405 89502 30367 761 66 760 a-Alanine, conf. I
322419.4501 0.0783 -5.1343 3 166.1954201 89502 3033331 2 3230 2 a-Alanine, conf. I
322419.4501 0.0783 -3.9798 3 166.1954201 89502 3033331 2 3230 3 a-Alanine, conf. I
322419.4501 0.0783 -3.9798 3 166.1954201 89502 3033331 3 3230 2 a-Alanine, conf. I
322419.4501 0.0783 -5.1343 3 166.1954201 89502 3033331 3 3230 3 a-Alanine, conf. I
322431.2110 0.8191 -4.8390 3 359.2765351 89502 303582732 572731 a-Alanine, conf. I
322431.9228 0.8194 -4.8390 3 359.2766351 89502 303582731 572730 a-Alanine, conf. I
322434.5091 0.3793 -4.5165 3 334.4673351 89502 303581940 571839 a-Alanine, conf. I
322434.8846 0.4371 -5.1218 3 429.6436357 89502 303593920 583919 a-Alanine, conf. I
322434.8846 0.4371 -5.1218 3 429.6436357 89502 303593921 583920 a-Alanine, conf. I
322451.5639 0.6630 -4.7429 3 329.3439345 89502 303572137 562136 a-Alanine, conf. I
322503.9052 1.3088 -4.7660 3 334.9195345 89502 303572334 562333 a-Alanine, conf. I
322508.6015 0.0973 -4.2299 3 184.1820249 89502 303412220 402119 a-Alanine, conf. I
322508.6204 0.0973 -5.2147 3 184.1820249 89502 303412219 402119 a-Alanine, conf. I
322508.6978 0.0973 -5.2147 3 184.1820249 89502 303412220 402120 a-Alanine, conf. I
322508.7166 0.0973 -4.2299 3 184.1820249 89502 303412219 402120 a-Alanine, conf. I
322556.1025 1.3768 -5.5458 3 590.7385459 89502 303762849 752946 a-Alanine, conf. I
322594.4028 0.1058 -4.2780 3 188.7621255 89502 303422122 412021 a-Alanine, conf. I
322595.1676 0.1059 -5.2222 3 188.7621255 89502 303422121 412021 a-Alanine, conf. I
322597.8668 0.1060 -5.2222 3 188.7619255 89502 303422122 412022 a-Alanine, conf. I
322598.6316 0.1061 -4.2780 3 188.7619255 89502 303422121 412022 a-Alanine, conf. I
322613.3514 0.9185 -4.7529 3 332.0221345 89502 303572236 562235 a-Alanine, conf. I
322665.7947 6.4513 -4.9756 3 390.5207375 89502 303622240 612339 a-Alanine, conf. I
322684.6253 0.2515 -5.5871 3 154.5792261 89502 30343 538 42 438 a-Alanine, conf. I
322684.6253 0.2515 -5.5871 3 154.5792261 89502 30343 638 42 538 a-Alanine, conf. I
322691.4796 0.4578 -5.0920 3 423.7156357 89502 303593821 583820 a-Alanine, conf. I
322691.4796 0.4578 -5.0920 3 423.7156357 89502 303593822 583821 a-Alanine, conf. I
322702.9865 2.1661 -4.6433 3 252.9453303 89502 303501932 491831 a-Alanine, conf. I
322789.2710 0.6665 -5.2759 3 198.4884273 89502 303451531 441431 a-Alanine, conf. I
322815.9961 0.3309 -4.7422 3 370.6958393 89502 30365 956 64 955 a-Alanine, conf. I
322815.9961 0.3309 -4.2073 3 370.6958393 89502 30365 956 641055 a-Alanine, conf. I
322815.9961 0.3309 -4.2073 3 370.6958393 89502 303651056 64 955 a-Alanine, conf. I
322815.9961 0.3309 -4.7422 3 370.6958393 89502 303651056 641055 a-Alanine, conf. I
322923.5735 0.3359 -4.3998 3 349.1440363 89502 303601644 591743 a-Alanine, conf. I
322925.2554 0.3359 -4.7528 3 349.1440363 89502 303601744 591743 a-Alanine, conf. I
322927.2472 0.3358 -4.7528 3 349.1438363 89502 303601644 591643 a-Alanine, conf. I
322928.9291 0.3358 -4.3998 3 349.1438363 89502 303601744 591643 a-Alanine, conf. I
322972.3085 0.4815 -5.0636 3 417.9552357 89502 303593722 583721 a-Alanine, conf. I
322972.3085 0.4815 -5.0636 3 417.9552357 89502 303593723 583722 a-Alanine, conf. I
323008.7162 6.2962 -5.6164 3 664.4678483 89502 303803248 793347 a-Alanine, conf. I
323040.7859 5.7215 -5.8078 3 759.7453513 89502 303853650 843747 a-Alanine, conf. I
323050.8116 5.7335 -5.8078 3 759.7453513 89502 303853649 843748 a-Alanine, conf. I
323147.8500 0.0652 -5.1431 3 167.5795207 89502 3033430 4 3329 4 a-Alanine, conf. I
323147.8500 0.0652 -4.0001 3 167.5795207 89502 3033430 4 3329 5 a-Alanine, conf. I
323147.8500 0.0652 -4.0001 3 167.5795207 89502 3033430 5 3329 4 a-Alanine, conf. I
323147.8500 0.0652 -5.1431 3 167.5795207 89502 3033430 5 3329 5 a-Alanine, conf. I
323166.5004 0.5556 -4.7074 3 381.3384423 89502 30370 268 69 267 a-Alanine, conf. I
323166.5004 0.5556 -4.0878 3 381.3384423 89502 30370 268 69 367 a-Alanine, conf. I
323166.5004 0.5556 -4.0878 3 381.3384423 89502 30370 368 69 267 a-Alanine, conf. I
323166.5004 0.5556 -4.7074 3 381.3384423 89502 30370 368 69 367 a-Alanine, conf. I
323271.5348 0.3416 -4.7512 3 364.4073381 89502 303631251 621250 a-Alanine, conf. I
323271.5348 0.3416 -4.2733 3 364.4073381 89502 303631251 621350 a-Alanine, conf. I
323271.5348 0.3416 -4.2733 3 364.4073381 89502 303631351 621250 a-Alanine, conf. I
323271.5348 0.3416 -4.7512 3 364.4073381 89502 303631351 621350 a-Alanine, conf. I
323280.5906 0.5079 -5.0363 3 412.3636357 89502 303593623 583622 a-Alanine, conf. I
323280.5906 0.5079 -5.0363 3 412.3636357 89502 303593624 583623 a-Alanine, conf. I
323447.1831 0.8877 -4.8197 3 355.5103351 89502 303582633 572632 a-Alanine, conf. I
323453.8398 0.8904 -4.8196 3 355.5104351 89502 303582632 572631 a-Alanine, conf. I
323507.3957 0.9724 -5.0989 3 132.3364225 89502 303371225 361126 a-Alanine, conf. I
323513.5795 0.6809 -5.1505 3 123.6066219 89502 303361125 351026 a-Alanine, conf. I
323587.6409 0.0948 -5.9329 3 89.7700183 89502 303301416 291119 a-Alanine, conf. I
323620.1753 0.5370 -5.0102 3 406.9424357 89502 303593524 583523 a-Alanine, conf. I
323620.1753 0.5370 -5.0102 3 406.9424357 89502 303593525 583524 a-Alanine, conf. I
323631.5986 0.2865 -5.6683 3 150.7313261 89502 30343 439 42 339 a-Alanine, conf. I
323631.5986 0.2865 -5.6683 3 150.7313261 89502 30343 539 42 439 a-Alanine, conf. I
323666.7183 2.6472 -4.7233 3 351.0281357 89502 303592039 582138 a-Alanine, conf. I
323674.0471 7.3412 -5.7024 3 619.9387471 89502 303782851 772948 a-Alanine, conf. I
323718.5060 0.3791 -4.7251 3 379.5877411 89502 30368 563 67 562 a-Alanine, conf. I
323718.5060 0.3791 -4.1357 3 379.5877411 89502 30368 563 67 662 a-Alanine, conf. I
323718.5060 0.3791 -4.1357 3 379.5877411 89502 30368 663 67 562 a-Alanine, conf. I
323718.5060 0.3791 -4.7251 3 379.5877411 89502 30368 663 67 662 a-Alanine, conf. I
323732.5747 0.3063 -4.4512 3 207.6965273 89502 303451927 441826 a-Alanine, conf. I
323831.2426 0.4319 -5.0870 3 134.3979225 89502 303371424 361125 a-Alanine, conf. I
323867.0597 0.0595 -5.1518 3 169.3156213 89502 3033529 6 3428 6 a-Alanine, conf. I
323867.0597 0.0595 -4.0218 3 169.3156213 89502 3033529 6 3428 7 a-Alanine, conf. I
323867.0597 0.0595 -4.0218 3 169.3156213 89502 3033529 7 3428 6 a-Alanine, conf. I
323867.0597 0.0595 -5.1518 3 169.3156213 89502 3033529 7 3428 7 a-Alanine, conf. I
323957.6113 0.3542 -5.3594 3 179.1858267 89502 303441034 43 934 a-Alanine, conf. I
323957.8628 0.3542 -5.3594 3 179.1859267 89502 303441134 431034 a-Alanine, conf. I
323994.4524 0.3424 -4.3600 3 356.0229369 89502 303611546 601645 a-Alanine, conf. I
323994.5172 0.3424 -4.7545 3 356.0229369 89502 303611646 601645 a-Alanine, conf. I
323994.6010 0.3424 -4.7545 3 356.0229369 89502 303611546 601545 a-Alanine, conf. I
323994.6658 0.3425 -4.3600 3 356.0229369 89502 303611646 601545 a-Alanine, conf. I
323995.7172 0.5685 -4.9852 3 401.6936357 89502 303593425 583424 a-Alanine, conf. I
323995.7172 0.5685 -4.9852 3 401.6936357 89502 303593426 583425 a-Alanine, conf. I
324140.4725 0.4415 -4.7276 3 326.3883345 89502 303571938 561937 a-Alanine, conf. I
324170.9857 0.3344 -4.7394 3 375.9212399 89502 30366 858 65 857 a-Alanine, conf. I
324170.9857 0.3344 -4.1885 3 375.9212399 89502 30366 858 65 957 a-Alanine, conf. I
324170.9857 0.3344 -4.1885 3 375.9212399 89502 30366 958 65 857 a-Alanine, conf. I
324170.9857 0.3344 -4.7394 3 375.9212399 89502 30366 958 65 957 a-Alanine, conf. I
324393.5125 5.4936 -5.5766 3 645.4436477 89502 303793149 783246 a-Alanine, conf. I
324412.9190 0.6027 -4.9612 3 396.6192357 89502 303593326 583325 a-Alanine, conf. I
324412.9190 0.6027 -4.9612 3 396.6192357 89502 303593327 583326 a-Alanine, conf. I
324419.5683 5.8078 -5.7596 3 739.1241507 89502 303843550 833647 a-Alanine, conf. I
324437.6007 0.6577 -4.7022 3 385.0723429 89502 30371 170 70 169 a-Alanine, conf. I
324437.6007 0.6577 -4.0738 3 385.0723429 89502 30371 170 70 269 a-Alanine, conf. I
324437.6007 0.6577 -4.0738 3 385.0723429 89502 30371 270 70 169 a-Alanine, conf. I
324437.6007 0.6577 -4.7022 3 385.0723429 89502 30371 270 70 269 a-Alanine, conf. I
324457.2378 5.8494 -5.7595 3 739.1241507 89502 303843549 833648 a-Alanine, conf. I
324504.9315 0.3323 -5.7775 3 146.7507261 89502 30343 340 42 240 a-Alanine, conf. I
324504.9315 0.3323 -5.7775 3 146.7507261 89502 30343 440 42 340 a-Alanine, conf. I
324540.2128 3.6795 -5.6103 3 605.2062465 89502 303772850 762947 a-Alanine, conf. I
324571.9867 0.0602 -5.1604 3 171.4069219 89502 3033628 8 3527 8 a-Alanine, conf. I
324571.9867 0.0602 -4.0448 3 171.4069219 89502 3033628 8 3527 9 a-Alanine, conf. I
324571.9867 0.0602 -4.0448 3 171.4069219 89502 3033628 9 3527 8 a-Alanine, conf. I
324571.9867 0.0602 -5.1604 3 171.4069219 89502 3033628 9 3527 9 a-Alanine, conf. I
324583.6588 0.3044 -5.3843 3 104.2403207 89502 30334 826 33 727 a-Alanine, conf. I
324592.3375 0.3037 -5.3843 3 104.2403207 89502 30334 926 33 627 a-Alanine, conf. I
324602.4626 0.3432 -4.7498 3 370.3040387 89502 303641153 631152 a-Alanine, conf. I
324602.4626 0.3432 -4.2497 3 370.3040387 89502 303641153 631252 a-Alanine, conf. I
324602.4626 0.3432 -4.2497 3 370.3040387 89502 303641253 631152 a-Alanine, conf. I
324602.4626 0.3432 -4.7498 3 370.3040387 89502 303641253 631252 a-Alanine, conf. I
324623.8709 0.1787 -5.2360 3 207.6965273 89502 303451926 441826 a-Alanine, conf. I
324674.1670 0.9684 -4.8007 3 351.9655351 89502 303582534 572533 a-Alanine, conf. I
324727.5868 0.9882 -4.8006 3 351.9670351 89502 303582533 572532 a-Alanine, conf. I
324754.6810 1.6982 -4.7188 3 319.2551339 89502 303562135 552134 a-Alanine, conf. I
324842.5734 7.9844 -5.0686 3 417.0182387 89502 303642341 632440 a-Alanine, conf. I
324878.8764 0.6397 -4.9381 3 391.7218357 89502 303593227 583226 a-Alanine, conf. I
324878.8764 0.6397 -4.9381 3 391.7218357 89502 303593228 583227 a-Alanine, conf. I
324986.0819 0.4635 -5.2298 3 232.5711291 89502 303481830 471730 a-Alanine, conf. I
325000.1327 0.3836 -4.7424 3 337.3869351 89502 303582039 572038 a-Alanine, conf. I
325038.3624 0.4281 -4.7209 3 383.9642417 89502 30369 465 68 464 a-Alanine, conf. I
325038.3624 0.4281 -4.1204 3 383.9642417 89502 30369 465 68 564 a-Alanine, conf. I
325038.3624 0.4281 -4.1204 3 383.9642417 89502 30369 565 68 464 a-Alanine, conf. I
325038.3624 0.4281 -4.7209 3 383.9642417 89502 30369 565 68 564 a-Alanine, conf. I
325093.6835 0.5676 -5.1479 3 123.6052219 89502 303361225 35 926 a-Alanine, conf. I
325184.7889 0.3483 -4.3267 3 362.6462375 89502 303621448 611547 a-Alanine, conf. I
325184.7909 0.3483 -4.7552 3 362.6462375 89502 303621548 611547 a-Alanine, conf. I
325184.7937 0.3483 -4.7552 3 362.6462375 89502 303621448 611447 a-Alanine, conf. I
325184.7957 0.3483 -4.3267 3 362.6462375 89502 303621548 611447 a-Alanine, conf. I
325240.6415 1.0911 -5.2644 3 209.2128279 89502 303461531 451431 a-Alanine, conf. I
325255.3073 0.0649 -5.1689 3 173.8576225 89502 303372710 362610 a-Alanine, conf. I
325255.3073 0.0649 -4.0695 3 173.8576225 89502 303372710 362611 a-Alanine, conf. I
325255.3073 0.0649 -4.0695 3 173.8576225 89502 303372711 362610 a-Alanine, conf. I
325255.3073 0.0649 -5.1689 3 173.8576225 89502 303372711 362611 a-Alanine, conf. I
325379.9408 0.6119 -5.2906 3 195.8464273 89502 303451332 441232 a-Alanine, conf. I
325402.5843 0.6799 -4.9158 3 387.0047357 89502 303593129 583128 a-Alanine, conf. I
325402.5844 0.6799 -4.9158 3 387.0047357 89502 303593128 583127 a-Alanine, conf. I
325482.9313 0.3665 -4.5030 3 345.2225357 89502 303591841 581940 a-Alanine, conf. I
325502.7665 1.6284 -4.6843 3 194.9042267 89502 303441727 431628 a-Alanine, conf. I
325513.2542 0.5914 -5.2903 3 195.8477273 89502 303451432 441332 a-Alanine, conf. I
325521.3774 0.3440 -4.7363 3 380.9438405 89502 30367 760 66 759 a-Alanine, conf. I
325521.3774 0.3440 -4.1710 3 380.9438405 89502 30367 760 66 859 a-Alanine, conf. I
325521.3774 0.3440 -4.1710 3 380.9438405 89502 30367 860 66 759 a-Alanine, conf. I
325521.3774 0.3440 -4.7363 3 380.9438405 89502 30367 860 66 859 a-Alanine, conf. I
325522.0243 0.3028 -5.3890 3 175.9478267 89502 30344 935 43 835 a-Alanine, conf. I
325522.0409 0.3028 -5.3890 3 175.9478267 89502 303441035 43 935 a-Alanine, conf. I
325534.9538 0.1992 -5.6245 3 93.3816201 89502 30333 627 32 528 a-Alanine, conf. I
325535.0384 0.1992 -5.6245 3 93.3816201 89502 30333 727 32 428 a-Alanine, conf. I
325630.7567 1.8282 -4.6127 3 243.4115297 89502 303491931 481830 a-Alanine, conf. I
325673.2096 0.6428 -5.9191 3 557.3244363 89502 3036055 5 5955 4 a-Alanine, conf. I
325673.2096 0.6428 -5.9191 3 557.3244363 89502 3036055 6 5955 5 a-Alanine, conf. I
325687.6431 0.7780 -4.6968 3 388.6054435 89502 30372 072 71 071 a-Alanine, conf. I
325687.6431 0.7780 -4.0604 3 388.6054435 89502 30372 072 71 171 a-Alanine, conf. I
325687.6431 0.7780 -4.0604 3 388.6054435 89502 30372 172 71 071 a-Alanine, conf. I
325687.6431 0.7780 -4.6968 3 388.6054435 89502 30372 172 71 171 a-Alanine, conf. I
325752.9989 0.6057 -5.8258 3 548.8124363 89502 3036054 6 5954 5 a-Alanine, conf. I
325752.9989 0.6057 -5.8258 3 548.8124363 89502 3036054 7 5954 6 a-Alanine, conf. I
325755.5230 0.3381 -4.7480 3 345.2225357 89502 303591941 581940 a-Alanine, conf. I
325838.6015 0.5708 -5.7450 3 540.4593363 89502 3036053 7 5953 6 a-Alanine, conf. I
325838.6015 0.5708 -5.7450 3 540.4593363 89502 3036053 8 5953 7 a-Alanine, conf. I
325839.8734 9.3300 -5.1568 3 444.3781399 89502 303662442 652541 a-Alanine, conf. I
325906.3995 0.0716 -5.1773 3 176.6730231 89502 303382612 372512 a-Alanine, conf. I
325906.3995 0.0716 -4.0963 3 176.6730231 89502 303382612 372513 a-Alanine, conf. I
325906.3995 0.0716 -4.0963 3 176.6730231 89502 303382613 372512 a-Alanine, conf. I
325906.3995 0.0716 -5.1773 3 176.6730231 89502 303382613 372513 a-Alanine, conf. I
325930.4602 0.5384 -5.6736 3 532.2653363 89502 3036052 8 5952 7 a-Alanine, conf. I
325930.4602 0.5384 -5.6736 3 532.2653363 89502 3036052 9 5952 8 a-Alanine, conf. I
325949.1505 0.3437 -4.7480 3 375.9880393 89502 303651055 641054 a-Alanine, conf. I
325949.1505 0.3437 -4.2283 3 375.9880393 89502 303651055 641154 a-Alanine, conf. I
325949.1505 0.3437 -4.2283 3 375.9880393 89502 303651155 641054 a-Alanine, conf. I
325949.1505 0.3437 -4.7480 3 375.9880393 89502 303651155 641154 a-Alanine, conf. I
325995.7060 0.7240 -4.8944 3 382.4715357 89502 303593030 583029 a-Alanine, conf. I
325995.7071 0.7240 -4.8944 3 382.4715357 89502 303593029 583028 a-Alanine, conf. I
326013.6503 0.3329 -4.7472 3 345.2048357 89502 303591841 581840 a-Alanine, conf. I
326029.0646 0.5089 -5.6093 3 524.2309363 89502 3036051 9 5951 8 a-Alanine, conf. I
326029.0646 0.5089 -5.6093 3 524.2309363 89502 303605110 5951 9 a-Alanine, conf. I
326042.4740 0.4083 -5.9252 3 93.7118189 89502 303311318 301021 a-Alanine, conf. I
326075.0380 5.9149 -5.7121 3 718.8577501 89502 303833450 823547 a-Alanine, conf. I
326131.9026 1.0465 -4.7821 3 348.6589351 89502 303582435 572434 a-Alanine, conf. I
326134.9573 0.4826 -5.5508 3 516.3561363 89502 303605010 5950 9 a-Alanine, conf. I
326134.9573 0.4826 -5.5508 3 516.3561363 89502 303605011 595010 a-Alanine, conf. I
326141.4010 10.3248 -5.2363 3 472.6033411 89502 303682543 672642 a-Alanine, conf. I
326179.8082 4.8357 -5.5414 3 626.7958471 89502 303783049 773146 a-Alanine, conf. I
326209.9673 6.0524 -5.7117 3 718.8574501 89502 303833449 823548 a-Alanine, conf. I
326248.7415 0.4598 -5.4970 3 508.6415363 89502 303604911 594910 a-Alanine, conf. I
326248.7415 0.4598 -5.4970 3 508.6415363 89502 303604912 594911 a-Alanine, conf. I
326283.0475 10.8495 -5.3057 3 501.6962423 89502 303702644 692743 a-Alanine, conf. I
326286.2420 0.3477 -4.5006 3 345.2048357 89502 303591941 581840 a-Alanine, conf. I
326341.8057 0.4957 -4.7164 3 388.1411423 89502 30370 367 69 366 a-Alanine, conf. I
326341.8057 0.4957 -4.1059 3 388.1411423 89502 30370 367 69 466 a-Alanine, conf. I
326341.8057 0.4957 -4.1059 3 388.1411423 89502 30370 467 69 366 a-Alanine, conf. I
326341.8057 0.4957 -4.7164 3 388.1411423 89502 30370 467 69 466 a-Alanine, conf. I
326356.6891 3.1914 -5.5236 3 608.5473465 89502 303772949 763046 a-Alanine, conf. I
326357.2552 0.5548 -4.4852 3 216.2503279 89502 303461928 451827 a-Alanine, conf. I
326371.0893 0.4409 -5.4472 3 501.0872363 89502 303604812 594811 a-Alanine, conf. I
326371.0893 0.4409 -5.4472 3 501.0872363 89502 303604813 594812 a-Alanine, conf. I
326376.0093 0.6186 -5.2472 3 211.6047279 89502 303461730 451630 a-Alanine, conf. I
326409.1138 0.3442 -4.4399 3 352.7250363 89502 303601743 591842 a-Alanine, conf. I
326425.5653 0.3437 -4.7528 3 352.7250363 89502 303601843 591842 a-Alanine, conf. I
326443.4908 0.3433 -4.7527 3 352.7238363 89502 303601743 591742 a-Alanine, conf. I
326447.9803 0.3529 -4.2980 3 369.0314381 89502 303631350 621449 a-Alanine, conf. I
326447.9803 0.3529 -4.7551 3 369.0314381 89502 303631450 621449 a-Alanine, conf. I
326447.9804 0.3529 -4.7551 3 369.0314381 89502 303631350 621349 a-Alanine, conf. I
326447.9805 0.3529 -4.2980 3 369.0314381 89502 303631450 621349 a-Alanine, conf. I
326459.9423 0.3430 -4.4397 3 352.7238363 89502 303601843 591742 a-Alanine, conf. I
326476.3465 0.6980 -4.7030 3 317.4633339 89502 303562036 552035 a-Alanine, conf. I
326483.9817 0.1545 -5.2319 3 207.6047273 89502 303451927 441827 a-Alanine, conf. I
326489.3372 1.1653 -4.7811 3 348.6705351 89502 303582434 572433 a-Alanine, conf. I
326502.7520 0.4263 -5.4007 3 493.6938363 89502 303604713 594712 a-Alanine, conf. I
326502.7520 0.4263 -5.4007 3 493.6938363 89502 303604714 594713 a-Alanine, conf. I
326509.6246 0.0792 -5.1856 3 179.8599237 89502 303392514 382414 a-Alanine, conf. I
326509.6246 0.0792 -4.1257 3 179.8599237 89502 303392514 382415 a-Alanine, conf. I
326509.6246 0.0792 -4.1257 3 179.8599237 89502 303392515 382414 a-Alanine, conf. I
326509.6246 0.0792 -5.1856 3 179.8599237 89502 303392515 382415 a-Alanine, conf. I
326644.5726 0.4163 -5.3572 3 486.4616363 89502 303604614 594613 a-Alanine, conf. I
326644.5726 0.4163 -5.3572 3 486.4616363 89502 303604615 594614 a-Alanine, conf. I
326673.7937 0.7729 -4.8737 3 378.1272357 89502 303592931 582930 a-Alanine, conf. I
326673.8082 0.7729 -4.8737 3 378.1272357 89502 303592930 582929 a-Alanine, conf. I
326764.9456 10.8783 -5.3661 3 531.6588435 89502 303722745 712844 a-Alanine, conf. I
326788.4119 7.3100 -5.5693 3 645.4372477 89502 303793148 783247 a-Alanine, conf. I
326797.4999 0.4110 -5.3162 3 479.3912363 89502 303604515 594514 a-Alanine, conf. I
326797.4999 0.4110 -5.3162 3 479.3912363 89502 303604516 594515 a-Alanine, conf. I
326863.0313 0.3638 -4.7329 3 385.7650411 89502 30368 662 67 661 a-Alanine, conf. I
326863.0313 0.3638 -4.1545 3 385.7650411 89502 30368 662 67 761 a-Alanine, conf. I
326863.0313 0.3638 -4.1545 3 385.7650411 89502 30368 762 67 661 a-Alanine, conf. I
326863.0313 0.3638 -4.7329 3 385.7650411 89502 30368 762 67 761 a-Alanine, conf. I
326871.5145 0.9505 -4.5605 3 205.3470273 89502 303451827 441728 a-Alanine, conf. I
326879.8959 1.4546 -5.2543 3 220.0616285 89502 303471631 461531 a-Alanine, conf. I
326906.3876 0.2660 -5.4242 3 172.5576267 89502 30344 836 43 736 a-Alanine, conf. I
326906.3885 0.2660 -5.4242 3 172.5576267 89502 30344 936 43 836 a-Alanine, conf. I
326931.2620 1.8160 -4.7400 3 332.2252345 89502 303572235 562234 a-Alanine, conf. I
326962.6059 0.4105 -5.2775 3 472.4830363 89502 303604416 594415 a-Alanine, conf. I
326962.6059 0.4105 -5.2775 3 472.4830363 89502 303604417 594416 a-Alanine, conf. I
327041.4089 0.0874 -5.1937 3 183.4271243 89502 303402416 392316 a-Alanine, conf. I
327041.4089 0.0874 -4.1582 3 183.4271243 89502 303402417 392316 a-Alanine, conf. I
327041.4090 0.0874 -4.1582 3 183.4271243 89502 303402416 392317 a-Alanine, conf. I
327041.4090 0.0874 -5.1937 3 183.4271243 89502 303402417 392317 a-Alanine, conf. I
327051.4660 0.1137 -4.3535 3 201.8330267 89502 303442025 431924 a-Alanine, conf. I
327103.3013 0.1153 -5.2251 3 201.8330267 89502 303442024 431924 a-Alanine, conf. I
327109.3313 0.0920 -5.1207 3 170.9635201 89502 3033332 1 3231 1 a-Alanine, conf. I
327109.3313 0.0920 -3.9607 3 170.9635201 89502 3033332 1 3231 2 a-Alanine, conf. I
327109.3313 0.0920 -3.9607 3 170.9635201 89502 3033332 2 3231 1 a-Alanine, conf. I
327109.3313 0.0920 -5.1207 3 170.9635201 89502 3033332 2 3231 2 a-Alanine, conf. I
327141.1077 0.4147 -5.2408 3 465.7376363 89502 303604317 594316 a-Alanine, conf. I
327141.1077 0.4147 -5.2408 3 465.7376363 89502 303604318 594317 a-Alanine, conf. I
327246.4471 0.1217 -5.2248 3 201.8265267 89502 303442025 431925 a-Alanine, conf. I
327286.5818 0.7803 -5.8962 3 176.4456255 89502 303421626 411427 a-Alanine, conf. I
327298.2824 0.1256 -4.3529 3 201.8265267 89502 303442024 431925 a-Alanine, conf. I
327302.2372 0.3448 -4.7457 3 381.4638399 89502 30366 957 65 956 a-Alanine, conf. I
327302.2372 0.3448 -4.2087 3 381.4638399 89502 30366 957 651056 a-Alanine, conf. I
327302.2372 0.3448 -4.2087 3 381.4638399 89502 303661057 65 956 a-Alanine, conf. I
327302.2372 0.3448 -4.7457 3 381.4638399 89502 303661057 651056 a-Alanine, conf. I
327334.3922 0.4234 -5.2060 3 459.1557363 89502 303604218 594217 a-Alanine, conf. I
327334.3922 0.4234 -5.2060 3 459.1557363 89502 303604219 594218 a-Alanine, conf. I
327345.9428 0.3508 -4.3934 3 359.9156369 89502 303611645 601744 a-Alanine, conf. I
327346.7046 0.3508 -4.7559 3 359.9156369 89502 303611745 601744 a-Alanine, conf. I
327347.6247 0.3508 -4.7559 3 359.9155369 89502 303611645 601644 a-Alanine, conf. I
327348.3865 0.3508 -4.3934 3 359.9155369 89502 303611745 601644 a-Alanine, conf. I
327375.2779 0.2748 -4.4445 3 207.6047273 89502 303451926 441827 a-Alanine, conf. I
327380.9111 0.4187 -4.7347 3 337.2004351 89502 303581939 571938 a-Alanine, conf. I
327422.0852 1.3795 -4.5707 3 234.1071291 89502 303481930 471829 a-Alanine, conf. I
327458.3023 0.8284 -4.8537 3 373.9779357 89502 303592832 582831 a-Alanine, conf. I
327458.4683 0.8285 -4.8537 3 373.9779357 89502 303592831 582830 a-Alanine, conf. I
327463.2244 0.3804 -5.2373 3 213.8294279 89502 303461829 451729 a-Alanine, conf. I
327464.9467 0.0962 -4.1949 3 187.3865249 89502 303412319 402218 a-Alanine, conf. I
327464.9478 0.0962 -5.2017 3 187.3865249 89502 303412318 402218 a-Alanine, conf. I
327464.9527 0.0962 -5.2017 3 187.3865249 89502 303412319 402219 a-Alanine, conf. I
327464.9539 0.0962 -4.1949 3 187.3865249 89502 303412318 402219 a-Alanine, conf. I
327544.0494 0.4364 -5.1729 3 452.7380363 89502 303604119 594118 a-Alanine, conf. I
327544.0494 0.4364 -5.1729 3 452.7380363 89502 303604120 594119 a-Alanine, conf. I
327622.0855 0.5924 -4.7428 3 340.0998351 89502 303582138 572137 a-Alanine, conf. I
327626.3250 1.0550 -4.7644 3 345.6043351 89502 303582336 572335 a-Alanine, conf. I
327626.9335 0.5823 -4.7118 3 392.1181429 89502 30371 269 70 268 a-Alanine, conf. I
327626.9335 0.5823 -4.0919 3 392.1181429 89502 30371 269 70 368 a-Alanine, conf. I
327626.9335 0.5823 -4.0919 3 392.1181429 89502 30371 369 70 268 a-Alanine, conf. I
327626.9335 0.5823 -4.7118 3 392.1181429 89502 30371 369 70 368 a-Alanine, conf. I
327675.5100 0.9250 -4.5259 3 225.0516285 89502 303471929 461828 a-Alanine, conf. I
327682.1569 0.7761 -4.5796 3 348.2277357 89502 303591940 582039 a-Alanine, conf. I
327691.9728 0.1134 -4.2882 3 196.5562261 89502 303432123 422022 a-Alanine, conf. I
327694.0086 0.1135 -5.2171 3 196.5562261 89502 303432122 422022 a-Alanine, conf. I
327700.8305 0.1139 -5.2171 3 196.5559261 89502 303432123 422023 a-Alanine, conf. I
327702.8663 0.1141 -4.2882 3 196.5559261 89502 303432122 422023 a-Alanine, conf. I
327719.5242 0.1053 -4.2373 3 191.7547255 89502 303422221 412120 a-Alanine, conf. I
327719.5804 0.1053 -5.2094 3 191.7547255 89502 303422220 412120 a-Alanine, conf. I
327719.8009 0.1053 -5.2094 3 191.7547255 89502 303422221 412121 a-Alanine, conf. I
327719.8571 0.1053 -4.2373 3 191.7547255 89502 303422220 412121 a-Alanine, conf. I
327752.2696 1.5099 -5.2409 3 230.9652291 89502 303481731 471631 a-Alanine, conf. I
327755.3649 0.3559 -4.7545 3 375.1905387 89502 303641252 631251 a-Alanine, conf. I
327755.3649 0.3559 -4.2728 3 375.1905387 89502 303641252 631351 a-Alanine, conf. I
327755.3649 0.3559 -4.2728 3 375.1905387 89502 303641352 631251 a-Alanine, conf. I
327755.3649 0.3559 -4.7545 3 375.1905387 89502 303641352 631351 a-Alanine, conf. I
327771.9110 0.4531 -5.1413 3 446.4855363 89502 303604020 594019 a-Alanine, conf. I
327771.9110 0.4531 -5.1413 3 446.4855363 89502 303604021 594020 a-Alanine, conf. I
327840.6474 0.0747 -5.1295 3 172.1849207 89502 3033431 3 3330 3 a-Alanine, conf. I
327840.6474 0.0747 -3.9803 3 172.1849207 89502 3033431 3 3330 4 a-Alanine, conf. I
327840.6474 0.0747 -3.9803 3 172.1849207 89502 3033431 4 3330 3 a-Alanine, conf. I
327840.6474 0.0747 -5.1295 3 172.1849207 89502 3033431 4 3330 4 a-Alanine, conf. I
327885.0471 0.5080 -5.3078 3 193.0100273 89502 303451233 441133 a-Alanine, conf. I
327900.1141 0.5056 -5.3078 3 193.0101273 89502 303451333 441233 a-Alanine, conf. I
327955.0068 10.5084 -5.4200 3 562.4924447 89502 303742846 732945 a-Alanine, conf. I
327957.3798 5.9940 -5.9105 3 818.1169531 89502 303883851 873948 a-Alanine, conf. I
327958.7527 5.9959 -5.9105 3 818.1169531 89502 303883850 873949 a-Alanine, conf. I
327966.6080 0.4381 -5.3385 3 129.2245219 89502 303361522 351223 a-Alanine, conf. I
328011.2884 0.7305 -5.2582 3 209.2555279 89502 303461631 451531 a-Alanine, conf. I
328020.1012 0.4734 -5.1112 3 440.3989363 89502 303603921 593920 a-Alanine, conf. I
328020.1012 0.4734 -5.1112 3 440.3989363 89502 303603922 593921 a-Alanine, conf. I
328030.9030 6.0081 -5.6657 3 698.9500495 89502 303823350 813447 a-Alanine, conf. I
328070.2826 0.5813 -5.4786 3 122.4643213 89502 303351521 341222 a-Alanine, conf. I
328147.4509 0.2477 -5.4664 3 169.0210267 89502 30344 737 43 637 a-Alanine, conf. I
328147.4509 0.2477 -5.4664 3 169.0210267 89502 30344 837 43 737 a-Alanine, conf. I
328147.9446 0.2737 -5.2342 3 216.2503279 89502 303461927 451827 a-Alanine, conf. I
328192.6804 0.3980 -4.7292 3 390.3857417 89502 30369 564 68 563 a-Alanine, conf. I
328192.6804 0.3980 -4.1390 3 390.3857417 89502 30369 564 68 663 a-Alanine, conf. I
328192.6804 0.3980 -4.1390 3 390.3857417 89502 30369 664 68 563 a-Alanine, conf. I
328192.6804 0.3980 -4.7292 3 390.3857417 89502 30369 664 68 663 a-Alanine, conf. I
328291.1007 0.4968 -5.0823 3 434.4794363 89502 303603822 593821 a-Alanine, conf. I
328291.1007 0.4968 -5.0823 3 434.4794363 89502 303603823 593822 a-Alanine, conf. I
328379.8510 0.8930 -4.8342 3 370.0317357 89502 303592733 582732 a-Alanine, conf. I
328381.5304 0.8938 -4.8342 3 370.0317357 89502 303592732 582731 a-Alanine, conf. I
328445.5249 0.8900 -4.7502 3 342.7834351 89502 303582237 572236 a-Alanine, conf. I
328446.6235 0.3575 -4.3559 3 366.8302375 89502 303621547 611646 a-Alanine, conf. I
328446.6515 0.3575 -4.7577 3 366.8302375 89502 303621647 611646 a-Alanine, conf. I
328446.6883 0.3575 -4.7577 3 366.8302375 89502 303621547 611546 a-Alanine, conf. I
328446.7163 0.3575 -4.3559 3 366.8302375 89502 303621647 611546 a-Alanine, conf. I
328489.0177 6.4355 -5.6644 3 698.9489495 89502 303823349 813448 a-Alanine, conf. I
328538.9834 0.6298 -5.0944 3 132.3297225 89502 303371325 361026 a-Alanine, conf. I
328564.8367 0.0648 -5.1382 3 173.7567213 89502 3033530 5 3429 5 a-Alanine, conf. I
328564.8367 0.0648 -4.0010 3 173.7567213 89502 3033530 5 3429 6 a-Alanine, conf. I
328564.8367 0.0648 -4.0010 3 173.7567213 89502 3033530 6 3429 5 a-Alanine, conf. I
328564.8367 0.0648 -5.1382 3 173.7567213 89502 3033530 6 3429 6 a-Alanine, conf. I
328587.8288 0.5231 -5.0547 3 428.7283363 89502 303603723 593722 a-Alanine, conf. I
328587.8288 0.5231 -5.0547 3 428.7283363 89502 303603724 593723 a-Alanine, conf. I
328654.9288 0.3489 -4.7432 3 386.7344405 89502 30367 859 66 858 a-Alanine, conf. I
328654.9288 0.3489 -4.1906 3 386.7344405 89502 30367 859 66 958 a-Alanine, conf. I
328654.9288 0.3489 -4.1906 3 386.7344405 89502 30367 959 66 858 a-Alanine, conf. I
328654.9288 0.3489 -4.7432 3 386.7344405 89502 30367 959 66 958 a-Alanine, conf. I
328892.1105 0.6878 -4.7069 3 395.8944435 89502 30372 171 71 170 a-Alanine, conf. I
328892.1105 0.6878 -4.0784 3 395.8944435 89502 30372 171 71 270 a-Alanine, conf. I
328892.1105 0.6878 -4.0784 3 395.8944435 89502 30372 271 71 170 a-Alanine, conf. I
328892.1105 0.6878 -4.7069 3 395.8944435 89502 30372 271 71 270 a-Alanine, conf. I
328908.5318 0.3939 -5.2908 3 112.6339213 89502 30335 926 34 827 a-Alanine, conf. I
328913.7526 0.5521 -5.0282 3 423.1471363 89502 303603624 593623 a-Alanine, conf. I
328913.7526 0.5521 -5.0282 3 423.1471363 89502 303603625 593624 a-Alanine, conf. I
328953.3560 0.3905 -5.2907 3 112.6339213 89502 303351026 34 727 a-Alanine, conf. I
329052.4104 6.0485 -5.8606 3 796.6335525 89502 303873751 863848 a-Alanine, conf. I
329057.8921 6.0557 -5.8606 3 796.6335525 89502 303873750 863849 a-Alanine, conf. I
329088.6530 0.3572 -4.7533 3 381.1316393 89502 303651154 641153 a-Alanine, conf. I
329088.6530 0.3572 -4.2501 3 381.1316393 89502 303651154 641253 a-Alanine, conf. I
329088.6530 0.3572 -4.2501 3 381.1316393 89502 303651254 641153 a-Alanine, conf. I
329088.6530 0.3572 -4.7533 3 381.1316393 89502 303651254 641253 a-Alanine, conf. I
329187.3853 0.1134 -5.8734 3 95.3739189 89502 303311417 301120 a-Alanine, conf. I
329271.3934 0.2504 -5.5176 3 165.3428267 89502 30344 638 43 538 a-Alanine, conf. I
329271.3934 0.2504 -5.5176 3 165.3428267 89502 30344 738 43 638 a-Alanine, conf. I
329273.0321 0.5836 -5.0028 3 417.7373363 89502 303603525 593524 a-Alanine, conf. I
329273.0321 0.5836 -5.0028 3 417.7373363 89502 303603526 593525 a-Alanine, conf. I
329277.8318 0.0621 -5.1469 3 175.6818219 89502 3033629 7 3528 7 a-Alanine, conf. I
329277.8318 0.0621 -4.0230 3 175.6818219 89502 3033629 7 3528 8 a-Alanine, conf. I
329277.8318 0.0621 -4.0230 3 175.6818219 89502 3033629 8 3528 7 a-Alanine, conf. I
329277.8318 0.0621 -5.1469 3 175.6818219 89502 3033629 8 3528 8 a-Alanine, conf. I
329435.7264 1.7504 -4.9990 3 157.5593243 89502 303401426 391327 a-Alanine, conf. I
329461.3775 0.3708 -4.7455 3 348.2277357 89502 303592040 582039 a-Alanine, conf. I
329481.8516 0.9699 -4.8151 3 366.2993357 89502 303592634 582633 a-Alanine, conf. I
329492.9286 1.5718 -4.7593 3 345.6771351 89502 303582335 572334 a-Alanine, conf. I
329496.6182 0.9760 -4.8151 3 366.2997357 89502 303592633 582632 a-Alanine, conf. I
329507.6798 0.4496 -4.7253 3 394.8063423 89502 30370 466 69 465 a-Alanine, conf. I
329507.6798 0.4496 -4.1242 3 394.8063423 89502 30370 466 69 565 a-Alanine, conf. I
329507.6798 0.4496 -4.1242 3 394.8063423 89502 30370 566 69 465 a-Alanine, conf. I
329507.6798 0.4496 -4.7253 3 394.8063423 89502 30370 566 69 565 a-Alanine, conf. I
329579.6627 0.6349 -5.6206 3 115.8585207 89502 303341520 331221 a-Alanine, conf. I
329654.0957 0.3633 -4.3244 3 373.4932381 89502 303631449 621548 a-Alanine, conf. I
329654.0966 0.3633 -4.7586 3 373.4932381 89502 303631549 621548 a-Alanine, conf. I
329654.0977 0.3633 -4.7586 3 373.4932381 89502 303631449 621448 a-Alanine, conf. I
329654.0986 0.3633 -4.3244 3 373.4932381 89502 303631549 621448 a-Alanine, conf. I
329670.7180 0.6177 -4.9784 3 412.5009363 89502 303603426 593425 a-Alanine, conf. I
329670.7180 0.6177 -4.9784 3 412.5009363 89502 303603427 593426 a-Alanine, conf. I
329730.5648 1.7098 -4.6095 3 326.3883345 89502 303572038 561937 a-Alanine, conf. I
329897.6214 0.2292 -5.2178 3 136.1164225 89502 303371523 361224 a-Alanine, conf. I
329922.5128 0.4299 -5.3289 3 189.9919273 89502 303451134 441034 a-Alanine, conf. I
329923.9000 0.4297 -5.3289 3 189.9919273 89502 303451234 441134 a-Alanine, conf. I
329946.6896 0.3626 -4.4883 3 356.0886363 89502 303601842 591941 a-Alanine, conf. I
329973.8293 0.0649 -5.1555 3 177.9639225 89502 3033728 9 3627 9 a-Alanine, conf. I
329973.8293 0.0649 -4.0465 3 177.9639225 89502 3033728 9 362710 a-Alanine, conf. I
329973.8293 0.0649 -4.0465 3 177.9639225 89502 303372810 3627 9 a-Alanine, conf. I
329973.8293 0.0649 -5.1555 3 177.9639225 89502 303372810 362710 a-Alanine, conf. I
330002.1240 0.3596 -4.7404 3 391.8020411 89502 30368 761 67 760 a-Alanine, conf. I
330002.1240 0.3596 -4.1737 3 391.8020411 89502 30368 761 67 860 a-Alanine, conf. I
330002.1240 0.3596 -4.1737 3 391.8020411 89502 30368 861 67 760 a-Alanine, conf. I
330002.1240 0.3596 -4.7404 3 391.8020411 89502 30368 861 67 860 a-Alanine, conf. I
330027.3396 9.9258 -5.4703 3 594.1976459 89502 303762947 753046 a-Alanine, conf. I
330059.2340 2.1259 -4.8293 3 184.7083261 89502 303431627 421528 a-Alanine, conf. I
330084.1156 0.3520 -4.7516 3 356.0886363 89502 303601942 591941 a-Alanine, conf. I
330113.0291 0.6546 -4.9550 3 407.4404363 89502 303603327 593326 a-Alanine, conf. I
330113.0291 0.6546 -4.9550 3 407.4404363 89502 303603328 593327 a-Alanine, conf. I
330135.9050 0.8116 -4.7018 3 399.4691441 89502 30373 073 72 072 a-Alanine, conf. I
330135.9050 0.8116 -4.0653 3 399.4691441 89502 30373 073 72 172 a-Alanine, conf. I
330135.9050 0.8116 -4.0653 3 399.4691441 89502 30373 173 72 072 a-Alanine, conf. I
330135.9050 0.8116 -4.7018 3 399.4691441 89502 30373 173 72 172 a-Alanine, conf. I
330219.2813 0.3486 -4.7512 3 356.0795363 89502 303601842 591841 a-Alanine, conf. I
330224.1356 5.9809 -5.6214 3 679.4065489 89502 303813250 803347 a-Alanine, conf. I
330266.9958 0.7712 -5.2717 3 206.6999279 89502 303461432 451332 a-Alanine, conf. I
330297.6860 0.2731 -5.5810 3 161.5264267 89502 30344 539 43 439 a-Alanine, conf. I
330297.6860 0.2731 -5.5810 3 161.5264267 89502 30344 639 43 539 a-Alanine, conf. I
330356.7072 0.3506 -4.4871 3 356.0795363 89502 303601942 591841 a-Alanine, conf. I
330363.6866 2.2494 -4.6332 3 315.6794339 89502 303562037 551936 a-Alanine, conf. I
330365.0927 6.1314 -5.8114 3 775.5011519 89502 303863651 853748 a-Alanine, conf. I
330386.0810 6.1567 -5.8114 3 775.5011519 89502 303863650 853749 a-Alanine, conf. I
330435.5101 0.3577 -4.7518 3 386.8605399 89502 303661056 651055 a-Alanine, conf. I
330435.5101 0.3577 -4.2296 3 386.8605399 89502 303661056 651155 a-Alanine, conf. I
330435.5101 0.3577 -4.2296 3 386.8605399 89502 303661156 651055 a-Alanine, conf. I
330435.5101 0.3577 -4.7518 3 386.8605399 89502 303661156 651155 a-Alanine, conf. I
330590.2250 1.1940 -4.5858 3 337.2004351 89502 303582039 571938 a-Alanine, conf. I
330607.7498 0.6946 -4.9324 3 402.5586363 89502 303603228 593227 a-Alanine, conf. I
330607.7498 0.6946 -4.9324 3 402.5586363 89502 303603229 593228 a-Alanine, conf. I
330644.5074 0.0708 -5.1640 3 180.6073231 89502 303382711 372611 a-Alanine, conf. I
330644.5074 0.0708 -4.0719 3 180.6073231 89502 303382711 372612 a-Alanine, conf. I
330644.5074 0.0708 -4.0719 3 180.6073231 89502 303382712 372611 a-Alanine, conf. I
330644.5074 0.0708 -5.1640 3 180.6073231 89502 303382712 372612 a-Alanine, conf. I
330676.1126 0.2469 -5.4918 3 101.6038207 89502 30334 727 33 628 a-Alanine, conf. I
330676.7144 0.2468 -5.4918 3 101.6038207 89502 30334 827 33 528 a-Alanine, conf. I
330757.5433 0.6955 -5.2705 3 206.7057279 89502 303461532 451432 a-Alanine, conf. I
330800.0391 0.3592 -4.4314 3 363.6134369 89502 303611744 601843 a-Alanine, conf. I
330805.8379 0.5201 -4.7212 3 399.0267429 89502 30371 368 70 367 a-Alanine, conf. I
330805.8379 0.5201 -4.1101 3 399.0267429 89502 30371 368 70 467 a-Alanine, conf. I
330805.8379 0.5201 -4.1101 3 399.0267429 89502 30371 468 70 367 a-Alanine, conf. I
330805.8379 0.5201 -4.7212 3 399.0267429 89502 30371 468 70 467 a-Alanine, conf. I
330807.8101 0.3590 -4.7564 3 363.6134369 89502 303611844 601843 a-Alanine, conf. I
330812.4060 1.0575 -4.7964 3 362.7954357 89502 303592535 582534 a-Alanine, conf. I
330816.4906 0.3588 -4.7563 3 363.6128369 89502 303611744 601743 a-Alanine, conf. I
330824.2616 0.3587 -4.4313 3 363.6128369 89502 303611844 601743 a-Alanine, conf. I
330857.9135 0.1987 -5.7847 3 90.5675201 89502 30333 528 32 429 a-Alanine, conf. I
330857.9172 0.1987 -5.7847 3 90.5675201 89502 30333 628 32 329 a-Alanine, conf. I
330891.4708 0.3838 -4.7411 3 348.1207357 89502 303591940 581939 a-Alanine, conf. I
330923.0442 1.0990 -4.7961 3 362.7987357 89502 303592534 582533 a-Alanine, conf. I
330926.7686 0.3677 -4.7587 3 379.9206387 89502 303641351 631350 a-Alanine, conf. I
330926.7686 0.3677 -4.2971 3 379.9206387 89502 303641351 631450 a-Alanine, conf. I
330926.7686 0.3677 -4.7587 3 379.9206387 89502 303641451 631450 a-Alanine, conf. I
330926.7687 0.3677 -4.2971 3 379.9206387 89502 303641451 631350 a-Alanine, conf. I
330984.1385 3.9744 -4.7986 3 376.2046369 89502 303612140 602239 a-Alanine, conf. I
330995.9872 0.3645 -4.7076 3 328.3534345 89502 303572037 562036 a-Alanine, conf. I
331109.8613 0.3793 -5.2330 3 225.0516285 89502 303471928 461828 a-Alanine, conf. I
331136.1395 0.6402 -5.8517 3 568.1877369 89502 3036155 6 6055 5 a-Alanine, conf. I
331136.1395 0.6402 -5.8517 3 568.1877369 89502 3036155 7 6055 6 a-Alanine, conf. I
331164.8208 0.7381 -4.9106 3 397.8589363 89502 303603130 593129 a-Alanine, conf. I
331164.8210 0.7381 -4.9106 3 397.8589363 89502 303603129 593128 a-Alanine, conf. I
331196.0842 0.9699 -5.2259 3 241.8978297 89502 303491831 481731 a-Alanine, conf. I
331220.4531 0.6039 -5.7706 3 559.6783369 89502 3036154 7 6054 6 a-Alanine, conf. I
331220.4531 0.6039 -5.7706 3 559.6783369 89502 3036154 8 6054 7 a-Alanine, conf. I
331241.2781 0.3111 -5.6622 3 157.5750267 89502 30344 440 43 340 a-Alanine, conf. I
331241.2781 0.3111 -5.6622 3 157.5750267 89502 30344 540 43 440 a-Alanine, conf. I
331277.8043 0.0782 -5.1724 3 183.6180237 89502 303392613 382513 a-Alanine, conf. I
331277.8043 0.0782 -4.0994 3 183.6180237 89502 303392613 382514 a-Alanine, conf. I
331277.8043 0.0782 -4.0994 3 183.6180237 89502 303392614 382513 a-Alanine, conf. I
331277.8043 0.0782 -5.1724 3 183.6180237 89502 303392614 382514 a-Alanine, conf. I
331293.4033 13.8763 -5.8879 3 683.8177495 89502 303822954 813051 a-Alanine, conf. I
331310.8690 0.5701 -5.6987 3 551.3281369 89502 3036153 8 6053 7 a-Alanine, conf. I
331310.8690 0.5701 -5.6987 3 551.3281369 89502 3036153 9 6053 8 a-Alanine, conf. I
331339.8763 0.3812 -4.7373 3 396.6680417 89502 30369 663 68 662 a-Alanine, conf. I
331339.8763 0.3812 -4.1578 3 396.6680417 89502 30369 663 68 762 a-Alanine, conf. I
331339.8763 0.3812 -4.1578 3 396.6680417 89502 30369 763 68 662 a-Alanine, conf. I
331339.8763 0.3812 -4.7373 3 396.6680417 89502 30369 763 68 762 a-Alanine, conf. I
331407.8542 0.5392 -5.6341 3 543.1372369 89502 3036152 9 6052 8 a-Alanine, conf. I
331407.8542 0.5392 -5.6341 3 543.1372369 89502 303615210 6052 9 a-Alanine, conf. I
331480.2944 0.1952 -5.2276 3 216.0794279 89502 303461928 451828 a-Alanine, conf. I
331511.9253 0.5114 -5.5752 3 535.1060369 89502 303615110 6051 9 a-Alanine, conf. I
331511.9253 0.5114 -5.5752 3 535.1060369 89502 303615111 605110 a-Alanine, conf. I
331623.6549 0.4872 -5.5210 3 527.2348369 89502 303615011 605010 a-Alanine, conf. I
331623.6549 0.4872 -5.5210 3 527.2348369 89502 303615012 605011 a-Alanine, conf. I
331665.2816 0.3659 -5.3540 3 186.8061273 89502 303451035 44 935 a-Alanine, conf. I
331665.3873 0.3659 -5.3540 3 186.8061273 89502 303451135 441035 a-Alanine, conf. I
331672.1621 0.6073 -5.7497 3 109.4353201 89502 303331519 321220 a-Alanine, conf. I
331686.0560 7.2153 -5.6171 3 679.4028489 89502 303813249 803348 a-Alanine, conf. I
331713.4181 0.1216 -4.3712 3 210.0727273 89502 303452026 441925 a-Alanine, conf. I
331743.6800 0.4669 -5.4708 3 519.5239369 89502 303614912 604911 a-Alanine, conf. I
331743.6800 0.4669 -5.4708 3 519.5239369 89502 303614913 604912 a-Alanine, conf. I
331775.2893 0.3662 -4.3882 3 370.8347375 89502 303621646 611745 a-Alanine, conf. I
331775.6309 0.3662 -4.7595 3 370.8347375 89502 303621746 611745 a-Alanine, conf. I
331776.0511 0.3662 -4.7595 3 370.8347375 89502 303621646 611645 a-Alanine, conf. I
331776.3927 0.3662 -4.3881 3 370.8347375 89502 303621746 611645 a-Alanine, conf. I
331787.2296 0.3590 -4.7499 3 392.3814405 89502 30367 958 66 957 a-Alanine, conf. I
331787.2296 0.3590 -4.2108 3 392.3814405 89502 30367 958 661057 a-Alanine, conf. I
331787.2296 0.3590 -4.2108 3 392.3814405 89502 303671058 66 957 a-Alanine, conf. I
331787.2296 0.3590 -4.7499 3 392.3814405 89502 303671058 661057 a-Alanine, conf. I
331797.2499 0.7860 -4.8896 3 393.3456363 89502 303603031 593030 a-Alanine, conf. I
331797.2530 0.7860 -4.8896 3 393.3456363 89502 303603030 593029 a-Alanine, conf. I
331798.1439 0.1082 -5.1077 3 175.8908201 89502 3033333 0 3232 0 a-Alanine, conf. I
331798.1439 0.1082 -3.9426 3 175.8908201 89502 3033333 0 3232 1 a-Alanine, conf. I
331798.1439 0.1082 -3.9426 3 175.8908201 89502 3033333 1 3232 0 a-Alanine, conf. I
331798.1439 0.1082 -5.1077 3 175.8908201 89502 3033333 1 3232 1 a-Alanine, conf. I
331832.1633 0.1203 -5.2213 3 210.0727273 89502 303452025 441925 a-Alanine, conf. I
331855.9247 0.0863 -5.1807 3 187.0032243 89502 303402515 392415 a-Alanine, conf. I
331855.9247 0.0863 -4.1296 3 187.0032243 89502 303402515 392416 a-Alanine, conf. I
331855.9247 0.0863 -4.1296 3 187.0032243 89502 303402516 392415 a-Alanine, conf. I
331855.9247 0.0863 -5.1807 3 187.0032243 89502 303402516 392416 a-Alanine, conf. I
331872.7111 0.4509 -5.4239 3 511.9738369 89502 303614813 604812 a-Alanine, conf. I
331872.7111 0.4509 -5.4239 3 511.9738369 89502 303614814 604813 a-Alanine, conf. I
331939.3109 6.2418 -5.7629 3 754.7223513 89502 303853551 843648 a-Alanine, conf. I
331951.7073 1.9450 -5.5524 3 623.0932471 89502 303782950 773047 a-Alanine, conf. I
331958.6760 1.8692 -4.6657 3 362.1207363 89502 303602040 592139 a-Alanine, conf. I
331988.7099 1.5177 -4.7104 3 330.0877345 89502 303572136 562135 a-Alanine, conf. I
332011.5426 0.4395 -5.3800 3 504.5848369 89502 303614714 604713 a-Alanine, conf. I
332011.5426 0.4395 -5.3800 3 504.5848369 89502 303614715 604714 a-Alanine, conf. I
332016.0860 6.3274 -5.7627 3 754.7222513 89502 303853550 843649 a-Alanine, conf. I
332085.2993 0.6099 -4.7168 3 403.0465435 89502 30372 270 71 269 a-Alanine, conf. I
332085.2993 0.6099 -4.0965 3 403.0465435 89502 30372 270 71 369 a-Alanine, conf. I
332085.2993 0.6099 -4.0965 3 403.0465435 89502 30372 370 71 269 a-Alanine, conf. I
332085.2993 0.6099 -4.7168 3 403.0465435 89502 30372 370 71 369 a-Alanine, conf. I
332113.9405 0.3597 -5.7714 3 153.4910267 89502 30344 341 43 241 a-Alanine, conf. I
332113.9405 0.3597 -5.7714 3 153.4910267 89502 30344 441 43 341 a-Alanine, conf. I
332138.6917 0.1309 -5.2206 3 210.0585273 89502 303452026 441926 a-Alanine, conf. I
332161.0670 0.4328 -5.3386 3 497.3573369 89502 303614615 604614 a-Alanine, conf. I
332161.0670 0.4328 -5.3386 3 497.3573369 89502 303614616 604615 a-Alanine, conf. I
332238.9925 0.3704 -4.7583 3 386.1232393 89502 303651253 641252 a-Alanine, conf. I
332238.9925 0.3704 -4.2730 3 386.1232393 89502 303651253 641352 a-Alanine, conf. I
332238.9925 0.3704 -4.2730 3 386.1232393 89502 303651353 641252 a-Alanine, conf. I
332238.9925 0.3704 -4.7583 3 386.1232393 89502 303651353 641352 a-Alanine, conf. I
332257.4369 0.1415 -4.3700 3 210.0585273 89502 303452025 441926 a-Alanine, conf. I
332322.2892 0.4310 -5.2995 3 490.2920369 89502 303614516 604515 a-Alanine, conf. I
332322.2892 0.4310 -5.2995 3 490.2920369 89502 303614517 604516 a-Alanine, conf. I
332344.0472 5.5857 -5.5817 3 660.2361483 89502 303803150 793247 a-Alanine, conf. I
332346.1324 1.1252 -4.7780 3 359.5375357 89502 303592436 582435 a-Alanine, conf. I
332351.9047 0.0950 -5.1889 3 190.7727249 89502 303412417 402317 a-Alanine, conf. I
332351.9047 0.0950 -4.1632 3 190.7727249 89502 303412418 402317 a-Alanine, conf. I
332351.9050 0.0950 -5.1889 3 190.7727249 89502 303412418 402318 a-Alanine, conf. I
332351.9051 0.0950 -4.1632 3 190.7727249 89502 303412417 402318 a-Alanine, conf. I
332495.1842 2.6670 -4.6516 3 305.0793333 89502 303552036 541935 a-Alanine, conf. I
332496.3464 0.4341 -5.2625 3 483.3892369 89502 303614417 604416 a-Alanine, conf. I
332496.3464 0.4341 -5.2625 3 483.3892369 89502 303614418 604417 a-Alanine, conf. I
332522.5804 0.8396 -4.8693 3 389.0239363 89502 303602932 592931 a-Alanine, conf. I
332522.6175 0.8396 -4.8693 3 389.0239363 89502 303602931 592930 a-Alanine, conf. I
332531.5987 0.0868 -5.1164 3 176.9501207 89502 3033432 2 3331 2 a-Alanine, conf. I
332531.5987 0.0868 -3.9615 3 176.9501207 89502 3033432 2 3331 3 a-Alanine, conf. I
332531.5987 0.0868 -3.9615 3 176.9501207 89502 3033432 3 3331 2 a-Alanine, conf. I
332531.5987 0.0868 -5.1164 3 176.9501207 89502 3033432 3 3331 3 a-Alanine, conf. I
332550.1402 0.5250 -4.7445 3 351.0281357 89502 303592139 582138 a-Alanine, conf. I
332665.0494 0.4177 -4.7339 3 401.3331423 89502 30370 565 69 564 a-Alanine, conf. I
332665.0494 0.4177 -4.1428 3 401.3331423 89502 30370 565 69 664 a-Alanine, conf. I
332665.0494 0.4177 -4.1428 3 401.3331423 89502 30370 665 69 564 a-Alanine, conf. I
332665.0494 0.4177 -4.7339 3 401.3331423 89502 30370 665 69 664 a-Alanine, conf. I
332666.1130 0.5084 -5.2115 3 121.2332219 89502 303361026 35 927 a-Alanine, conf. I
332670.6914 0.7981 -4.5643 3 348.1207357 89502 303592040 581939 a-Alanine, conf. I
332684.5307 0.4417 -5.2273 3 476.6498369 89502 303614318 604317 a-Alanine, conf. I
332684.5307 0.4417 -5.2273 3 476.6498369 89502 303614319 604318 a-Alanine, conf. I
332723.2333 0.1042 -4.2014 3 194.9397255 89502 303422320 412219 a-Alanine, conf. I
332723.2369 0.1042 -5.1969 3 194.9397255 89502 303422319 412219 a-Alanine, conf. I
332723.2522 0.1042 -5.1969 3 194.9397255 89502 303422320 412220 a-Alanine, conf. I
332723.2557 0.1042 -4.2014 3 194.9397255 89502 303422319 412220 a-Alanine, conf. I
332734.5266 0.1206 -4.3000 3 204.5496267 89502 303442124 432023 a-Alanine, conf. I
332739.7520 0.1210 -5.2127 3 204.5496267 89502 303442123 432023 a-Alanine, conf. I
332756.3491 0.1220 -5.2127 3 204.5489267 89502 303442124 432024 a-Alanine, conf. I
332761.5745 0.1223 -4.2999 3 204.5489267 89502 303442123 432024 a-Alanine, conf. I
332869.5632 0.4922 -5.2111 3 121.2331219 89502 303361126 35 827 a-Alanine, conf. I
332882.1176 0.5609 -4.5538 3 359.2174363 89502 303601941 592040 a-Alanine, conf. I
332888.3169 0.4538 -5.1938 3 470.0744369 89502 303614219 604218 a-Alanine, conf. I
332888.3169 0.4538 -5.1938 3 470.0744369 89502 303614220 604219 a-Alanine, conf. I
332898.3962 0.1136 -4.2459 3 199.5227261 89502 303432222 422121 a-Alanine, conf. I
332898.5576 0.1136 -5.2048 3 199.5227261 89502 303432221 422121 a-Alanine, conf. I
332899.1610 0.1136 -5.2048 3 199.5226261 89502 303432222 422122 a-Alanine, conf. I
332899.3223 0.1136 -4.2459 3 199.5226261 89502 303432221 422122 a-Alanine, conf. I
332902.4294 0.3729 -4.3529 3 377.7860381 89502 303631548 621647 a-Alanine, conf. I
332902.4414 0.3729 -4.7614 3 377.7860381 89502 303631648 621647 a-Alanine, conf. I
332902.4574 0.3729 -4.7614 3 377.7860381 89502 303631548 621547 a-Alanine, conf. I
332902.4694 0.3729 -4.3529 3 377.7860381 89502 303631648 621547 a-Alanine, conf. I
332972.9561 9.3204 -5.5193 3 626.7748471 89502 303783048 773147 a-Alanine, conf. I
333026.7652 1.3503 -4.7762 3 359.5610357 89502 303592435 582434 a-Alanine, conf. I
333030.7314 0.5927 -5.0609 3 141.2242231 89502 303381425 371126 a-Alanine, conf. I
333109.3979 0.4699 -5.1618 3 463.6637369 89502 303614120 604119 a-Alanine, conf. I
333109.3979 0.4699 -5.1618 3 463.6637369 89502 303614121 604120 a-Alanine, conf. I
333137.4288 0.3638 -4.7476 3 397.6971411 89502 30368 860 67 859 a-Alanine, conf. I
333137.4288 0.3638 -4.1934 3 397.6971411 89502 30368 860 67 959 a-Alanine, conf. I
333137.4288 0.3638 -4.1934 3 397.6971411 89502 30368 960 67 859 a-Alanine, conf. I
333137.4288 0.3638 -4.7476 3 397.6971411 89502 30368 960 67 959 a-Alanine, conf. I
333192.4656 0.3150 -5.3837 3 183.4620273 89502 30345 936 44 836 a-Alanine, conf. I
333192.4723 0.3150 -5.3837 3 183.4620273 89502 303451036 44 936 a-Alanine, conf. I
333259.5379 0.0725 -5.1251 3 178.3586213 89502 3033531 4 3430 4 a-Alanine, conf. I
333259.5379 0.0725 -3.9814 3 178.3586213 89502 3033531 4 3430 5 a-Alanine, conf. I
333259.5379 0.0725 -3.9814 3 178.3586213 89502 3033531 5 3430 4 a-Alanine, conf. I
333259.5379 0.0725 -5.1251 3 178.3586213 89502 3033531 5 3430 5 a-Alanine, conf. I
333270.9838 0.4640 -4.4744 3 216.0794279 89502 303461927 451828 a-Alanine, conf. I
333344.4626 0.7187 -4.7122 3 406.8650441 89502 30373 172 72 171 a-Alanine, conf. I
333344.4626 0.7187 -4.0835 3 406.8650441 89502 30373 172 72 271 a-Alanine, conf. I
333344.4626 0.7187 -4.0835 3 406.8650441 89502 30373 272 72 171 a-Alanine, conf. I
333344.4626 0.7187 -4.7122 3 406.8650441 89502 30373 272 72 271 a-Alanine, conf. I
333349.7276 0.4897 -5.1313 3 457.4188369 89502 303614021 604020 a-Alanine, conf. I
333349.7276 0.4897 -5.1313 3 457.4188369 89502 303614022 604021 a-Alanine, conf. I
333363.8530 0.6175 -5.2853 3 203.9470279 89502 303461333 451233 a-Alanine, conf. I
333365.3242 0.9010 -4.8496 3 384.9008363 89502 303602833 592832 a-Alanine, conf. I
333365.7283 0.9012 -4.8496 3 384.9008363 89502 303602832 592831 a-Alanine, conf. I
333428.8544 0.6066 -5.2851 3 203.9477279 89502 303461433 451333 a-Alanine, conf. I
333521.3841 0.5226 -5.8595 3 103.2214195 89502 303321518 311219 a-Alanine, conf. I
333529.8934 4.3785 -5.5533 3 641.4548477 89502 303793050 783147 a-Alanine, conf. I
333572.2890 0.5042 -5.2330 3 222.4914285 89502 303471830 461730 a-Alanine, conf. I
333574.1329 0.3716 -4.7575 3 392.1088399 89502 303661155 651154 a-Alanine, conf. I
333574.1329 0.3716 -4.2513 3 392.1088399 89502 303661155 651254 a-Alanine, conf. I
333574.1329 0.3716 -4.2513 3 392.1088399 89502 303661255 651154 a-Alanine, conf. I
333574.1329 0.3716 -4.7575 3 392.1088399 89502 303661255 651254 a-Alanine, conf. I
333611.5767 0.5127 -5.1021 3 451.3405369 89502 303613922 603921 a-Alanine, conf. I
333611.5767 0.5127 -5.1021 3 451.3405369 89502 303613923 603922 a-Alanine, conf. I
333618.3705 0.7292 -5.2428 3 220.1968285 89502 303471731 461631 a-Alanine, conf. I
333668.8949 0.4160 -5.2307 3 234.1071291 89502 303481929 471829 a-Alanine, conf. I
333728.2928 1.0777 -4.7613 3 356.5327357 89502 303592337 582336 a-Alanine, conf. I
333812.9599 6.3607 -5.7153 3 734.3008507 89502 303843451 833548 a-Alanine, conf. I
333841.0093 0.3712 -4.7494 3 359.2174363 89502 303602041 592040 a-Alanine, conf. I
333897.6026 0.5388 -5.0741 3 445.4301369 89502 303613823 603822 a-Alanine, conf. I
333897.6026 0.5388 -5.0741 3 445.4301369 89502 303613824 603823 a-Alanine, conf. I
333975.0882 0.4719 -4.7303 3 405.7975429 89502 30371 467 70 466 a-Alanine, conf. I
333975.0882 0.4719 -4.1286 3 405.7975429 89502 30371 467 70 566 a-Alanine, conf. I
333975.0882 0.4719 -4.1286 3 405.7975429 89502 30371 567 70 466 a-Alanine, conf. I
333975.0882 0.4719 -4.7303 3 405.7975429 89502 30371 567 70 566 a-Alanine, conf. I
333978.6920 0.0658 -5.1338 3 180.1186219 89502 3033630 6 3529 6 a-Alanine, conf. I
333978.6920 0.0658 -4.0024 3 180.1186219 89502 3033630 6 3529 7 a-Alanine, conf. I
333978.6920 0.0658 -4.0024 3 180.1186219 89502 3033630 7 3529 6 a-Alanine, conf. I
333978.6920 0.0658 -5.1338 3 180.1186219 89502 3033630 7 3529 7 a-Alanine, conf. I
334063.2674 0.8334 -4.7492 3 353.7391357 89502 303592238 582237 a-Alanine, conf. I
334079.9638 6.6345 -5.7146 3 734.3003507 89502 303843450 833549 a-Alanine, conf. I
334119.3850 0.1430 -5.1272 3 143.1275231 89502 303381524 371225 a-Alanine, conf. I
334124.9760 0.3786 -4.3230 3 384.4893387 89502 303641450 631549 a-Alanine, conf. I
334124.9763 0.3786 -4.7625 3 384.4893387 89502 303641550 631549 a-Alanine, conf. I
334124.9768 0.3786 -4.7625 3 384.4893387 89502 303641450 631449 a-Alanine, conf. I
334124.9772 0.3786 -4.3230 3 384.4893387 89502 303641550 631449 a-Alanine, conf. I
334210.9415 0.5677 -5.0472 3 439.6889369 89502 303613724 603723 a-Alanine, conf. I
334210.9415 0.5677 -5.0472 3 439.6889369 89502 303613725 603724 a-Alanine, conf. I
334300.3352 1.0237 -5.2573 3 217.7164285 89502 303471532 461432 a-Alanine, conf. I
334351.0405 0.3712 -4.4764 3 367.0990369 89502 303611843 601942 a-Alanine, conf. I
334360.6766 0.9732 -4.8304 3 380.9853363 89502 303602734 592733 a-Alanine, conf. I
334364.5342 0.9749 -4.8304 3 380.9854363 89502 303602733 592732 a-Alanine, conf. I
334419.1803 0.3671 -4.7558 3 367.0990369 89502 303611943 601942 a-Alanine, conf. I
334481.2736 0.3758 -4.7451 3 402.8097417 89502 30369 762 68 761 a-Alanine, conf. I
334481.2736 0.3758 -4.1771 3 402.8097417 89502 30369 762 68 861 a-Alanine, conf. I
334481.2736 0.3758 -4.1771 3 402.8097417 89502 30369 862 68 761 a-Alanine, conf. I
334481.2736 0.3758 -4.7451 3 402.8097417 89502 30369 862 68 861 a-Alanine, conf. I
334488.4665 0.3652 -4.7556 3 367.0944369 89502 303611843 601842 a-Alanine, conf. I
334551.9881 0.2798 -5.4189 3 179.9669273 89502 30345 837 44 737 a-Alanine, conf. I
334551.9884 0.2798 -5.4189 3 179.9669273 89502 30345 937 44 837 a-Alanine, conf. I
334555.3295 0.5992 -5.0215 3 434.1184369 89502 303613625 603624 a-Alanine, conf. I
334555.3295 0.5992 -5.0215 3 434.1184369 89502 303613626 603625 a-Alanine, conf. I
334556.6062 0.3646 -4.4758 3 367.0944369 89502 303611943 601842 a-Alanine, conf. I
334581.9207 0.8462 -4.7073 3 410.4813447 89502 30374 074 73 073 a-Alanine, conf. I
334581.9207 0.8462 -4.0708 3 410.4813447 89502 30374 074 73 173 a-Alanine, conf. I
334581.9207 0.8462 -4.0708 3 410.4813447 89502 30374 174 73 073 a-Alanine, conf. I
334581.9207 0.8462 -4.7073 3 410.4813447 89502 30374 174 73 173 a-Alanine, conf. I
334647.7493 0.3532 -4.7161 3 339.3943351 89502 303582038 572037 a-Alanine, conf. I
334661.3382 0.3687 -4.7470 3 359.1580363 89502 303601941 591940 a-Alanine, conf. I
334684.4237 0.0659 -5.1424 3 182.2334225 89502 3033729 8 3628 8 a-Alanine, conf. I
334684.4237 0.0659 -4.0249 3 182.2334225 89502 3033729 8 3628 9 a-Alanine, conf. I
334684.4237 0.0659 -4.0249 3 182.2334225 89502 3033729 9 3628 8 a-Alanine, conf. I
334684.4237 0.0659 -5.1424 3 182.2334225 89502 3033729 9 3628 9 a-Alanine, conf. I
334755.7119 1.9959 -4.7306 3 343.1305351 89502 303582236 572235 a-Alanine, conf. I
334920.8162 0.3721 -4.7562 3 397.8826405 89502 303671057 661056 a-Alanine, conf. I
334920.8162 0.3721 -4.2316 3 397.8826405 89502 303671057 661156 a-Alanine, conf. I
334920.8162 0.3721 -4.2316 3 397.8826405 89502 303671157 661056 a-Alanine, conf. I
334920.8162 0.3721 -4.7562 3 397.8826405 89502 303671157 661156 a-Alanine, conf. I
334935.2662 0.6333 -4.9967 3 428.7206369 89502 303613526 603525 a-Alanine, conf. I
334935.2662 0.6333 -4.9967 3 428.7206369 89502 303613527 603526 a-Alanine, conf. I
335042.1343 1.3173 -5.0489 3 148.2012237 89502 303391326 381227 a-Alanine, conf. I
335198.0839 0.3748 -4.4244 3 374.6479375 89502 303621745 611844 a-Alanine, conf. I
335201.7106 0.3747 -4.7605 3 374.6479375 89502 303621845 611844 a-Alanine, conf. I
335205.8549 0.3747 -4.7605 3 374.6477375 89502 303621745 611744 a-Alanine, conf. I
335209.4815 0.3746 -4.4244 3 374.6477375 89502 303621845 611744 a-Alanine, conf. I
335267.8641 0.5454 -4.7264 3 410.0612435 89502 30372 369 71 368 a-Alanine, conf. I
335267.8641 0.5454 -4.1149 3 410.0612435 89502 30372 369 71 468 a-Alanine, conf. I
335267.8641 0.5454 -4.1149 3 410.0612435 89502 30372 469 71 368 a-Alanine, conf. I
335267.8641 0.5454 -4.7264 3 410.0612435 89502 30372 469 71 468 a-Alanine, conf. I
335356.2390 0.6701 -4.9729 3 423.4976369 89502 303613427 603426 a-Alanine, conf. I
335356.2390 0.6701 -4.9729 3 423.4976369 89502 303613428 603427 a-Alanine, conf. I
335370.1431 0.0705 -5.1510 3 184.7069231 89502 303382810 372710 a-Alanine, conf. I
335370.1431 0.0705 -4.0489 3 184.7069231 89502 303382810 372711 a-Alanine, conf. I
335370.1431 0.0705 -4.0489 3 184.7069231 89502 303382811 372710 a-Alanine, conf. I
335370.1431 0.0705 -5.1510 3 184.7069231 89502 303382811 372711 a-Alanine, conf. I
335405.9479 0.3829 -4.7629 3 390.9591393 89502 303651352 641351 a-Alanine, conf. I
335405.9479 0.3829 -4.2970 3 390.9591393 89502 303651352 641451 a-Alanine, conf. I
335405.9479 0.3829 -4.2970 3 390.9591393 89502 303651452 641351 a-Alanine, conf. I
335405.9479 0.3829 -4.7629 3 390.9591393 89502 303651452 641451 a-Alanine, conf. I
335505.5247 0.3170 -5.3814 3 110.0418213 89502 30335 827 34 728 a-Alanine, conf. I
335509.2359 0.3168 -5.3814 3 110.0418213 89502 30335 927 34 628 a-Alanine, conf. I
335531.3508 0.6677 -5.1450 3 130.0321225 89502 303371126 361027 a-Alanine, conf. I
335556.5734 1.0590 -4.8115 3 377.2896363 89502 303602635 592634 a-Alanine, conf. I
335588.4242 1.0723 -4.8115 3 377.2905363 89502 303602634 592633 a-Alanine, conf. I
335620.2299 0.5510 -4.5457 3 359.1580363 89502 303602041 591940 a-Alanine, conf. I
335712.4404 0.5196 -5.3029 3 200.9969279 89502 303461234 451134 a-Alanine, conf. I
335719.3452 0.5184 -5.3029 3 200.9970279 89502 303461334 451234 a-Alanine, conf. I
335759.2780 2.8412 -4.6578 3 294.6077327 89502 303542035 531934 a-Alanine, conf. I
335776.6173 0.2641 -5.4611 3 176.3261273 89502 30345 738 44 638 a-Alanine, conf. I
335776.6174 0.2641 -5.4611 3 176.3261273 89502 30345 838 44 738 a-Alanine, conf. I
335814.9957 0.3992 -4.7423 3 407.7203423 89502 30370 664 69 663 a-Alanine, conf. I
335814.9957 0.3992 -4.1618 3 407.7203423 89502 30370 664 69 763 a-Alanine, conf. I
335814.9957 0.3992 -4.1618 3 407.7203423 89502 30370 764 69 663 a-Alanine, conf. I
335814.9957 0.3992 -4.7423 3 407.7203423 89502 30370 764 69 763 a-Alanine, conf. I
335825.0400 0.7099 -4.9499 3 418.4518369 89502 303613328 603327 a-Alanine, conf. I
335825.0400 0.7099 -4.9499 3 418.4518369 89502 303613329 603328 a-Alanine, conf. I
335849.0184 1.7763 -5.5985 3 637.8816477 89502 303792951 783048 a-Alanine, conf. I
335886.6066 0.7861 -5.2536 3 217.7386285 89502 303471632 461532 a-Alanine, conf. I
335975.8443 6.4172 -5.6693 3 714.2413501 89502 303833351 823448 a-Alanine, conf. I
335995.3265 9.0179 -5.7645 3 668.2364489 89502 303812953 803050 a-Alanine, conf. I
336026.4194 0.0773 -5.1596 3 187.5441237 89502 303392712 382612 a-Alanine, conf. I
336026.4194 0.0773 -4.0748 3 187.5441237 89502 303392712 382613 a-Alanine, conf. I
336026.4194 0.0773 -4.0748 3 187.5441237 89502 303392713 382612 a-Alanine, conf. I
336026.4194 0.0773 -5.1596 3 187.5441237 89502 303392713 382613 a-Alanine, conf. I
336055.7676 0.2055 -5.8346 3 101.1453195 89502 303321418 311121 a-Alanine, conf. I
336101.4253 0.1529 -4.3922 3 218.5248279 89502 303462027 451926 a-Alanine, conf. I
336210.7913 0.3820 -4.3841 3 381.9015381 89502 303631647 621746 a-Alanine, conf. I
336210.9430 0.3820 -4.7637 3 381.9015381 89502 303631747 621746 a-Alanine, conf. I
336211.1329 0.3820 -4.7637 3 381.9015381 89502 303631647 621646 a-Alanine, conf. I
336211.2846 0.3820 -4.3841 3 381.9015381 89502 303631747 621646 a-Alanine, conf. I
336270.9230 0.3737 -4.7546 3 403.4486411 89502 30368 959 67 958 a-Alanine, conf. I
336270.9230 0.3737 -4.2135 3 403.4486411 89502 30368 959 671058 a-Alanine, conf. I
336270.9230 0.3737 -4.2135 3 403.4486411 89502 303681059 67 958 a-Alanine, conf. I
336270.9230 0.3737 -4.7546 3 403.4486411 89502 303681059 671058 a-Alanine, conf. I
336302.1933 0.2153 -5.6216 3 98.8240207 89502 30334 628 33 529 a-Alanine, conf. I
336302.2262 0.2153 -5.6216 3 98.8240207 89502 30334 728 33 429 a-Alanine, conf. I
336310.1508 6.4668 -5.8656 3 812.7460531 89502 303883752 873849 a-Alanine, conf. I
336316.1178 0.2917 -5.2261 3 243.4115297 89502 303491930 481830 a-Alanine, conf. I
336321.7049 6.4819 -5.8656 3 812.7460531 89502 303883751 873850 a-Alanine, conf. I
336341.8752 0.6018 -5.1436 3 130.0314225 89502 303371226 36 927 a-Alanine, conf. I
336350.2265 0.7530 -4.9278 3 413.5865369 89502 303613229 603228 a-Alanine, conf. I
336350.2265 0.7530 -4.9278 3 413.5865369 89502 303613230 603229 a-Alanine, conf. I
336363.7423 0.1319 -5.2185 3 218.5248279 89502 303462026 451926 a-Alanine, conf. I
336435.7019 1.5062 -4.6162 3 213.8294279 89502 303461828 451729 a-Alanine, conf. I
336517.5913 0.6760 -5.8786 3 587.8988375 89502 3036256 6 6156 5 a-Alanine, conf. I
336517.5913 0.6760 -5.8786 3 587.8988375 89502 3036256 7 6156 6 a-Alanine, conf. I
336540.5657 5.6178 -4.8860 3 402.2312381 89502 303632241 622340 a-Alanine, conf. I
336541.5664 0.6384 -4.7223 3 414.1237441 89502 30373 271 72 270 a-Alanine, conf. I
336541.5664 0.6384 -4.1018 3 414.1237441 89502 30373 271 72 370 a-Alanine, conf. I
336541.5664 0.6384 -4.1018 3 414.1237441 89502 30373 371 72 270 a-Alanine, conf. I
336541.5664 0.6384 -4.7223 3 414.1237441 89502 30373 371 72 370 a-Alanine, conf. I
336600.6308 0.6382 -5.7971 3 579.2332375 89502 3036255 7 6155 6 a-Alanine, conf. I
336600.6308 0.6382 -5.7971 3 579.2332375 89502 3036255 8 6155 7 a-Alanine, conf. I
336639.5765 0.0853 -5.1680 3 190.7511243 89502 303402614 392514 a-Alanine, conf. I
336639.5765 0.0853 -4.1031 3 190.7511243 89502 303402614 392515 a-Alanine, conf. I
336639.5765 0.0853 -4.1031 3 190.7511243 89502 303402615 392514 a-Alanine, conf. I
336639.5765 0.0853 -5.1680 3 190.7511243 89502 303402615 392515 a-Alanine, conf. I
336647.9876 0.2618 -5.2239 3 224.7524285 89502 303471929 461829 a-Alanine, conf. I
336667.4737 8.8205 -5.5683 3 660.2237483 89502 303803149 793248 a-Alanine, conf. I
336689.6262 0.6030 -5.7248 3 570.7266375 89502 3036254 8 6154 7 a-Alanine, conf. I
336689.6262 0.6030 -5.7248 3 570.7266375 89502 3036254 9 6154 8 a-Alanine, conf. I
336722.2910 0.3854 -4.7628 3 397.2055399 89502 303661254 651253 a-Alanine, conf. I
336722.2910 0.3854 -4.2740 3 397.2055399 89502 303661254 651353 a-Alanine, conf. I
336722.2910 0.3854 -4.2740 3 397.2055399 89502 303661354 651253 a-Alanine, conf. I
336722.2910 0.3854 -4.7628 3 397.2055399 89502 303661354 651353 a-Alanine, conf. I
336765.3046 0.9202 -5.0913 3 139.0237231 89502 303381226 371127 a-Alanine, conf. I
336785.0233 0.5707 -5.6598 3 562.3794375 89502 3036253 9 6153 8 a-Alanine, conf. I
336785.0233 0.5707 -5.6598 3 562.3794375 89502 303625310 6153 9 a-Alanine, conf. I
336829.9094 1.4094 -5.2479 3 228.8675291 89502 303481632 471532 a-Alanine, conf. I
336851.2929 1.8868 -4.7525 3 356.6678357 89502 303592336 582335 a-Alanine, conf. I
336852.5689 7.2365 -5.6668 3 714.2392501 89502 303833350 823449 a-Alanine, conf. I
336887.3144 0.5415 -5.6005 3 554.1918375 89502 303625210 6152 9 a-Alanine, conf. I
336887.3144 0.5415 -5.6005 3 554.1918375 89502 303625211 615210 a-Alanine, conf. I
336890.1011 0.2702 -5.5123 3 172.5440273 89502 30345 639 44 539 a-Alanine, conf. I
336890.1011 0.2702 -5.5123 3 172.5440273 89502 30345 739 44 639 a-Alanine, conf. I
336942.8131 0.8001 -4.9065 3 408.9054369 89502 303613131 603130 a-Alanine, conf. I
336942.8137 0.8001 -4.9065 3 408.9054369 89502 303613130 603129 a-Alanine, conf. I
336990.8151 1.1502 -4.7930 3 373.8302363 89502 303602536 592535 a-Alanine, conf. I
336992.7214 0.1429 -5.2170 3 218.4950279 89502 303462027 451927 a-Alanine, conf. I
336997.0440 0.5158 -5.5460 3 546.1641375 89502 303625111 615110 a-Alanine, conf. I
336997.0440 0.5158 -5.5460 3 546.1641375 89502 303625112 615111 a-Alanine, conf. I
337114.8164 0.4941 -5.4954 3 538.2966375 89502 303625012 615011 a-Alanine, conf. I
337114.8164 0.4941 -5.4954 3 538.2966375 89502 303625013 615012 a-Alanine, conf. I
337135.5799 0.4380 -4.7392 3 412.4296429 89502 30371 566 70 565 a-Alanine, conf. I
337135.5799 0.4380 -4.1473 3 412.4296429 89502 30371 566 70 665 a-Alanine, conf. I
337135.5799 0.4380 -4.1473 3 412.4296429 89502 30371 666 70 565 a-Alanine, conf. I
337135.5799 0.4380 -4.7392 3 412.4296429 89502 30371 666 70 665 a-Alanine, conf. I
337189.3759 0.0938 -5.1764 3 194.3360249 89502 303412516 402416 a-Alanine, conf. I
337189.3759 0.0938 -4.1343 3 194.3360249 89502 303412516 402417 a-Alanine, conf. I
337189.3759 0.0938 -4.1343 3 194.3360249 89502 303412517 402416 a-Alanine, conf. I
337189.3759 0.0938 -5.1764 3 194.3360249 89502 303412517 402417 a-Alanine, conf. I
337212.8984 1.2340 -4.7924 3 373.8371363 89502 303602535 592534 a-Alanine, conf. I
337221.1556 0.1015 -5.1039 3 181.8747207 89502 3033433 1 3332 1 a-Alanine, conf. I
337221.1556 0.1015 -3.9437 3 181.8747207 89502 3033433 1 3332 2 a-Alanine, conf. I
337221.1556 0.1015 -3.9437 3 181.8747207 89502 3033433 2 3332 1 a-Alanine, conf. I
337221.1556 0.1015 -5.1039 3 181.8747207 89502 3033433 2 3332 2 a-Alanine, conf. I
337241.3041 0.4766 -5.4481 3 530.5897375 89502 303624913 614912 a-Alanine, conf. I
337241.3041 0.4766 -5.4481 3 530.5897375 89502 303624914 614913 a-Alanine, conf. I
337255.0384 0.1719 -4.3899 3 218.4950279 89502 303462026 451927 a-Alanine, conf. I
337266.7363 0.4720 -4.7477 3 362.1207363 89502 303602140 592139 a-Alanine, conf. I
337361.2985 0.3887 -4.3509 3 388.8904387 89502 303641549 631648 a-Alanine, conf. I
337361.3036 0.3887 -4.7658 3 388.8904387 89502 303641649 631648 a-Alanine, conf. I
337361.3105 0.3887 -4.7658 3 388.8904387 89502 303641549 631548 a-Alanine, conf. I
337361.3156 0.3887 -4.3509 3 388.8904387 89502 303641649 631548 a-Alanine, conf. I
337377.2574 0.4637 -5.4038 3 523.0439375 89502 303624814 614813 a-Alanine, conf. I
337377.2574 0.4637 -5.4038 3 523.0439375 89502 303624815 614814 a-Alanine, conf. I
337398.0923 4.7390 -5.6678 3 652.9255483 89502 303802952 793049 a-Alanine, conf. I
337523.5165 0.4557 -5.3620 3 515.6595375 89502 303624715 614714 a-Alanine, conf. I
337523.5165 0.4557 -5.3620 3 515.6595375 89502 303624716 614715 a-Alanine, conf. I
337617.3567 0.8523 -4.8859 3 404.4131369 89502 303613032 603031 a-Alanine, conf. I
337617.3647 0.8523 -4.8859 3 404.4131369 89502 303613031 603030 a-Alanine, conf. I
337618.4438 0.3793 -4.7526 3 408.8094417 89502 30369 861 68 860 a-Alanine, conf. I
337618.4438 0.3793 -4.1968 3 408.8094417 89502 30369 861 68 960 a-Alanine, conf. I
337618.4438 0.3793 -4.1968 3 408.8094417 89502 30369 961 68 860 a-Alanine, conf. I
337618.4438 0.3793 -4.7526 3 408.8094417 89502 30369 961 68 960 a-Alanine, conf. I
337644.9511 0.1030 -4.1691 3 198.3095255 89502 303422419 412318 a-Alanine, conf. I
337644.9513 0.1030 -5.1846 3 198.3095255 89502 303422418 412318 a-Alanine, conf. I
337644.9522 0.1030 -5.1846 3 198.3095255 89502 303422419 412319 a-Alanine, conf. I
337644.9524 0.1030 -4.1691 3 198.3095255 89502 303422418 412319 a-Alanine, conf. I
337669.5878 0.4421 -5.3241 3 197.8692279 89502 303461135 451035 a-Alanine, conf. I
337670.1913 0.4420 -5.3241 3 197.8692279 89502 303461235 451135 a-Alanine, conf. I
337671.1616 0.4583 -4.5341 3 370.3531369 89502 303611942 602041 a-Alanine, conf. I
337681.0255 0.4525 -5.3226 3 508.4370375 89502 303624616 614615 a-Alanine, conf. I
337681.0255 0.4525 -5.3226 3 508.4370375 89502 303624617 614616 a-Alanine, conf. I
337703.1826 1.7292 -5.2393 3 240.1029297 89502 303491732 481632 a-Alanine, conf. I
337707.5839 0.1270 -4.3134 3 212.7440273 89502 303452125 442024 a-Alanine, conf. I
337720.5294 0.1278 -5.2090 3 212.7440273 89502 303452124 442024 a-Alanine, conf. I
337759.4192 0.1301 -5.2089 3 212.7423273 89502 303452125 442025 a-Alanine, conf. I
337772.3647 0.1311 -4.3133 3 212.7423273 89502 303452124 442025 a-Alanine, conf. I
337791.9372 0.4916 -4.7262 3 350.5569357 89502 303592039 582038 a-Alanine, conf. I
337794.6259 0.7506 -4.7180 3 417.9842447 89502 30374 173 73 172 a-Alanine, conf. I
337794.6259 0.7506 -4.0891 3 417.9842447 89502 30374 173 73 272 a-Alanine, conf. I
337794.6259 0.7506 -4.0891 3 417.9842447 89502 30374 273 73 172 a-Alanine, conf. I
337794.6259 0.7506 -4.7180 3 417.9842447 89502 30374 273 73 272 a-Alanine, conf. I
337806.8292 6.5760 -5.8161 3 791.4556525 89502 303873652 863749 a-Alanine, conf. I
337849.9545 6.6285 -5.8160 3 791.4555525 89502 303873651 863750 a-Alanine, conf. I
337850.8489 0.4544 -5.2851 3 501.3770375 89502 303624517 614516 a-Alanine, conf. I
337850.8489 0.4544 -5.2851 3 501.3770375 89502 303624518 614517 a-Alanine, conf. I
337910.3201 0.2961 -5.5757 3 168.6241273 89502 30345 540 44 440 a-Alanine, conf. I
337910.3201 0.2961 -5.5757 3 168.6241273 89502 30345 640 44 540 a-Alanine, conf. I
337951.9066 0.0829 -5.1125 3 183.1205213 89502 3033532 3 3431 3 a-Alanine, conf. I
337951.9066 0.0829 -3.9628 3 183.1205213 89502 3033532 3 3431 4 a-Alanine, conf. I
337951.9066 0.0829 -3.9628 3 183.1205213 89502 3033532 4 3431 3 a-Alanine, conf. I
337951.9066 0.0829 -5.1125 3 183.1205213 89502 3033532 4 3431 4 a-Alanine, conf. I
337957.0681 0.1126 -4.2089 3 202.6863261 89502 303432321 422220 a-Alanine, conf. I
337957.0791 0.1126 -5.1928 3 202.6863261 89502 303432320 422220 a-Alanine, conf. I
337957.1244 0.1126 -5.1928 3 202.6863261 89502 303432321 422221 a-Alanine, conf. I
337957.1353 0.1126 -4.2089 3 202.6863261 89502 303432320 422221 a-Alanine, conf. I
338034.1925 0.4610 -5.2496 3 494.4801375 89502 303624418 614417 a-Alanine, conf. I
338034.1925 0.4610 -5.2496 3 494.4801375 89502 303624419 614418 a-Alanine, conf. I
338040.7118 0.1220 -4.2557 3 207.4869267 89502 303442223 432122 a-Alanine, conf. I
338041.1577 0.1220 -5.2009 3 207.4869267 89502 303442222 432122 a-Alanine, conf. I
338042.7476 0.1221 -5.2009 3 207.4869267 89502 303442223 432123 a-Alanine, conf. I
338043.1934 0.1221 -4.2557 3 207.4869267 89502 303442222 432123 a-Alanine, conf. I
338058.8173 0.3864 -4.7622 3 403.2356405 89502 303671156 661155 a-Alanine, conf. I
338058.8173 0.3864 -4.2532 3 403.2356405 89502 303671156 661255 a-Alanine, conf. I
338058.8173 0.3864 -4.2532 3 403.2356405 89502 303671256 661155 a-Alanine, conf. I
338058.8173 0.3864 -4.7622 3 403.2356405 89502 303671256 661255 a-Alanine, conf. I
338114.0831 2.1439 -4.9439 3 174.7219255 89502 303421527 411428 a-Alanine, conf. I
338175.8919 0.3798 -4.7541 3 370.3531369 89502 303612042 602041 a-Alanine, conf. I
338232.4279 0.4721 -5.2157 3 487.7470375 89502 303624319 614318 a-Alanine, conf. I
338232.4279 0.4721 -5.2157 3 487.7470375 89502 303624320 614319 a-Alanine, conf. I
338257.6592 6.2262 -5.6263 3 694.5511495 89502 303823251 813348 a-Alanine, conf. I
338369.7370 1.1612 -4.7068 3 341.1617351 89502 303582137 572136 a-Alanine, conf. I
338393.7284 0.9111 -4.8659 3 400.1157369 89502 303612933 602932 a-Alanine, conf. I
338393.8216 0.9112 -4.8659 3 400.1157369 89502 303612932 602931 a-Alanine, conf. I
338440.5553 0.4950 -4.7358 3 416.9377435 89502 30372 468 71 467 a-Alanine, conf. I
338440.5553 0.4950 -4.1335 3 416.9377435 89502 30372 468 71 567 a-Alanine, conf. I
338440.5553 0.4950 -4.1335 3 416.9377435 89502 30372 568 71 467 a-Alanine, conf. I
338440.5553 0.4950 -4.7358 3 416.9377435 89502 30372 568 71 567 a-Alanine, conf. I
338447.1233 0.4874 -5.1833 3 481.1784375 89502 303624220 614219 a-Alanine, conf. I
338447.1233 0.4874 -5.1833 3 481.1784375 89502 303624221 614220 a-Alanine, conf. I
338480.3299 0.7611 -5.2666 3 215.0669285 89502 303471433 461333 a-Alanine, conf. I
338558.1332 1.1923 -4.7750 3 370.6234363 89502 303602437 592436 a-Alanine, conf. I
338597.1154 0.3943 -4.3225 3 395.6345393 89502 303651451 641550 a-Alanine, conf. I
338597.1155 0.3943 -4.7670 3 395.6345393 89502 303651551 641550 a-Alanine, conf. I
338597.1157 0.3943 -4.7670 3 395.6345393 89502 303651451 641450 a-Alanine, conf. I
338597.1159 0.3943 -4.3225 3 395.6345393 89502 303651551 641450 a-Alanine, conf. I
338630.0533 0.3730 -4.7527 3 370.3211369 89502 303611942 601941 a-Alanine, conf. I
338675.7610 0.0718 -5.1212 3 184.7165219 89502 3033631 5 3530 5 a-Alanine, conf. I
338675.7610 0.0718 -3.9830 3 184.7165219 89502 3033631 5 3530 6 a-Alanine, conf. I
338675.7610 0.0718 -3.9830 3 184.7165219 89502 3033631 6 3530 5 a-Alanine, conf. I
338675.7610 0.0718 -5.1212 3 184.7165219 89502 3033631 6 3530 6 a-Alanine, conf. I
338680.0812 0.5066 -5.1524 3 474.7751375 89502 303624121 614120 a-Alanine, conf. I
338680.0812 0.5066 -5.1524 3 474.7751375 89502 303624122 614121 a-Alanine, conf. I
338732.3359 0.7183 -5.2660 3 215.0697285 89502 303471533 461433 a-Alanine, conf. I
338732.4774 0.3846 -4.4666 3 378.2540375 89502 303621844 611943 a-Alanine, conf. I
338765.7584 0.3830 -4.7605 3 378.2540375 89502 303621944 611943 a-Alanine, conf. I
338772.5895 1.2676 -4.6236 3 373.3708369 89502 303612041 602140 a-Alanine, conf. I
338800.6171 0.3820 -4.7604 3 378.2517375 89502 303621844 611843 a-Alanine, conf. I
338819.8675 2.2243 -4.7541 3 203.1716273 89502 303451728 441629 a-Alanine, conf. I
338833.8981 0.3813 -4.4663 3 378.2517375 89502 303621944 611843 a-Alanine, conf. I
338851.1362 0.3372 -5.6568 3 164.5691273 89502 30345 441 44 341 a-Alanine, conf. I
338851.1362 0.3372 -5.6568 3 164.5691273 89502 30345 541 44 441 a-Alanine, conf. I
338933.3863 0.5293 -5.1228 3 468.5381375 89502 303624022 614021 a-Alanine, conf. I
338933.3863 0.5293 -5.1228 3 468.5381375 89502 303624023 614022 a-Alanine, conf. I
338958.7891 0.3926 -4.7503 3 413.9668423 89502 30370 763 69 762 a-Alanine, conf. I
338958.7891 0.3926 -4.1811 3 413.9668423 89502 30370 763 69 862 a-Alanine, conf. I
338958.7891 0.3926 -4.1811 3 413.9668423 89502 30370 863 69 762 a-Alanine, conf. I
338958.7891 0.3926 -4.7503 3 413.9668423 89502 30370 863 69 862 a-Alanine, conf. I
339025.6589 0.8817 -4.7134 3 421.6417453 89502 30375 075 74 074 a-Alanine, conf. I
339025.6589 0.8817 -4.0768 3 421.6417453 89502 30375 075 74 174 a-Alanine, conf. I
339025.6589 0.8817 -4.0768 3 421.6417453 89502 30375 175 74 074 a-Alanine, conf. I
339025.6589 0.8817 -4.7134 3 421.6417453 89502 30375 175 74 174 a-Alanine, conf. I
339117.1068 1.4893 -5.2258 3 251.3675303 89502 303501832 491732 a-Alanine, conf. I
339134.7836 0.4348 -4.5299 3 370.3211369 89502 303612042 601941 a-Alanine, conf. I
339209.4660 0.5551 -5.0944 3 462.4686375 89502 303623923 613922 a-Alanine, conf. I
339209.4660 0.5551 -5.0944 3 462.4686375 89502 303623924 613923 a-Alanine, conf. I
339300.0278 0.9792 -4.8465 3 396.0206369 89502 303612834 602833 a-Alanine, conf. I
339300.9864 0.9797 -4.8465 3 396.0207369 89502 303612833 602832 a-Alanine, conf. I
339362.3629 0.3782 -5.3493 3 194.5761279 89502 303461036 45 936 a-Alanine, conf. I
339362.4068 0.3782 -5.3493 3 194.5761279 89502 303461136 451036 a-Alanine, conf. I
339388.9868 0.0683 -5.1299 3 186.6654225 89502 3033730 7 3629 7 a-Alanine, conf. I
339388.9868 0.0683 -4.0044 3 186.6654225 89502 3033730 7 3629 8 a-Alanine, conf. I
339388.9868 0.0683 -4.0044 3 186.6654225 89502 3033730 8 3629 7 a-Alanine, conf. I
339388.9868 0.0683 -5.1299 3 186.6654225 89502 3033730 8 3629 8 a-Alanine, conf. I
339405.0070 0.3869 -4.7612 3 409.0544411 89502 303681058 671057 a-Alanine, conf. I
339405.0070 0.3869 -4.2343 3 409.0544411 89502 303681058 671157 a-Alanine, conf. I
339405.0070 0.3869 -4.2343 3 409.0544411 89502 303681158 671057 a-Alanine, conf. I
339405.0070 0.3869 -4.7612 3 409.0544411 89502 303681158 671157 a-Alanine, conf. I
339435.3201 0.7565 -4.7500 3 364.8823363 89502 303602239 592238 a-Alanine, conf. I
339495.2620 2.7316 -4.6467 3 284.2945321 89502 303532034 521933 a-Alanine, conf. I
339511.1686 0.5838 -5.0672 3 456.5677375 89502 303623824 613823 a-Alanine, conf. I
339511.1686 0.5838 -5.0672 3 456.5677375 89502 303623825 613824 a-Alanine, conf. I
339566.1969 0.6968 -5.0876 3 139.0206231 89502 303381326 371027 a-Alanine, conf. I
339592.3309 6.7081 -5.7674 3 770.5211519 89502 303863552 853649 a-Alanine, conf. I
339604.3361 0.3909 -4.4189 3 385.8290381 89502 303631746 621845 a-Alanine, conf. I
339606.0098 0.3909 -4.7651 3 385.8290381 89502 303631846 621845 a-Alanine, conf. I
339607.9627 0.3909 -4.7651 3 385.8289381 89502 303631746 621745 a-Alanine, conf. I
339609.6364 0.3909 -4.4189 3 385.8289381 89502 303631846 621745 a-Alanine, conf. I
339704.3325 1.0686 -4.7595 3 367.6647363 89502 303602338 592337 a-Alanine, conf. I
339723.5496 0.3886 -5.7660 3 160.3815273 89502 30345 342 44 242 a-Alanine, conf. I
339723.5496 0.3886 -5.7660 3 160.3815273 89502 30345 442 44 342 a-Alanine, conf. I
339727.8525 0.5715 -4.7323 3 421.2446441 89502 30373 370 72 369 a-Alanine, conf. I
339727.8525 0.5715 -4.1203 3 421.2446441 89502 30373 370 72 469 a-Alanine, conf. I
339727.8525 0.5715 -4.1203 3 421.2446441 89502 30373 470 72 369 a-Alanine, conf. I
339727.8525 0.5715 -4.7323 3 421.2446441 89502 30373 470 72 469 a-Alanine, conf. I
339745.7524 6.8804 -5.7670 3 770.5208519 89502 303863551 853650 a-Alanine, conf. I
339756.9587 0.1872 -5.2203 3 252.9453303 89502 303501931 491831 a-Alanine, conf. I
339801.9975 1.5963 -4.7718 3 370.6695363 89502 303602436 592435 a-Alanine, conf. I
339841.8649 0.6152 -5.0410 3 450.8369375 89502 303623725 613724 a-Alanine, conf. I
339841.8649 0.6152 -5.0410 3 450.8369375 89502 303623726 613725 a-Alanine, conf. I
339885.3346 0.3984 -4.7677 3 402.1470399 89502 303661353 651352 a-Alanine, conf. I
339885.3346 0.3984 -4.2977 3 402.1470399 89502 303661353 651452 a-Alanine, conf. I
339885.3346 0.3984 -4.2977 3 402.1470399 89502 303661453 651352 a-Alanine, conf. I
339885.3346 0.3984 -4.7677 3 402.1470399 89502 303661453 651452 a-Alanine, conf. I
339959.4116 0.4070 -5.2882 3 118.6916219 89502 30336 927 35 828 a-Alanine, conf. I
339979.4732 0.4053 -5.2881 3 118.6916219 89502 303361027 35 728 a-Alanine, conf. I
340046.5466 0.2496 -4.4175 3 227.1961285 89502 303472028 461927 a-Alanine, conf. I
340082.3388 0.7968 -4.5120 3 224.7524285 89502 303471928 461829 a-Alanine, conf. I
340086.3186 0.0707 -5.1385 3 188.9706231 89502 3033829 9 3728 9 a-Alanine, conf. I
340086.3186 0.0707 -4.0273 3 188.9706231 89502 3033829 9 372810 a-Alanine, conf. I
340086.3186 0.0707 -4.0273 3 188.9706231 89502 303382910 3728 9 a-Alanine, conf. I
340086.3186 0.0707 -5.1385 3 188.9706231 89502 303382910 372810 a-Alanine, conf. I
340091.7752 5.4106 -5.5908 3 675.2422489 89502 303813151 803248 a-Alanine, conf. I
340108.9174 0.6411 -5.2295 3 231.3251291 89502 303481831 471731 a-Alanine, conf. I
340132.8417 3.4123 -5.5736 3 656.3377483 89502 303803051 793148 a-Alanine, conf. I
340205.5843 0.6494 -5.0159 3 445.2780375 89502 303623626 613625 a-Alanine, conf. I
340205.5843 0.6494 -5.0159 3 445.2780375 89502 303623627 613626 a-Alanine, conf. I
340278.2268 7.4518 -4.9815 3 429.1109393 89502 303652342 642441 a-Alanine, conf. I
340288.3549 0.4179 -4.7478 3 418.9219429 89502 30371 665 70 664 a-Alanine, conf. I
340288.3549 0.4179 -4.1663 3 418.9219429 89502 30371 665 70 764 a-Alanine, conf. I
340288.3549 0.4179 -4.1663 3 418.9219429 89502 30371 765 70 664 a-Alanine, conf. I
340288.3549 0.4179 -4.7478 3 418.9219429 89502 30371 765 70 764 a-Alanine, conf. I
340376.4783 1.0601 -4.8275 3 392.1383369 89502 303612735 602734 a-Alanine, conf. I
340385.1058 1.0641 -4.8275 3 392.1386369 89502 303612734 602733 a-Alanine, conf. I
340488.9825 0.3619 -5.0669 3 150.2570237 89502 303391525 381226 a-Alanine, conf. I
340604.9566 0.1687 -5.2168 3 227.1961285 89502 303472027 461927 a-Alanine, conf. I
340607.1986 0.6862 -4.9917 3 439.8929375 89502 303623527 613526 a-Alanine, conf. I
340607.1986 0.6862 -4.9917 3 439.8929375 89502 303623528 613527 a-Alanine, conf. I
340651.6224 0.3983 -4.3811 3 393.1163387 89502 303641648 631747 a-Alanine, conf. I
340651.6892 0.3983 -4.7684 3 393.1163387 89502 303641748 631747 a-Alanine, conf. I
340651.7742 0.3983 -4.7684 3 393.1163387 89502 303641648 631647 a-Alanine, conf. I
340651.8410 0.3983 -4.3811 3 393.1163387 89502 303641748 631647 a-Alanine, conf. I
340753.2689 0.3889 -4.7598 3 414.6654417 89502 30369 960 68 959 a-Alanine, conf. I
340753.2689 0.3889 -4.2169 3 414.6654417 89502 30369 960 681059 a-Alanine, conf. I
340753.2689 0.3889 -4.2169 3 414.6654417 89502 303691060 68 959 a-Alanine, conf. I
340753.2689 0.3889 -4.7598 3 414.6654417 89502 303691060 681059 a-Alanine, conf. I
340760.2974 0.0766 -5.1471 3 191.6364237 89502 303392811 382711 a-Alanine, conf. I
340760.2974 0.0766 -4.0519 3 191.6364237 89502 303392811 382712 a-Alanine, conf. I
340760.2974 0.0766 -4.0519 3 191.6364237 89502 303392812 382711 a-Alanine, conf. I
340760.2974 0.0766 -5.1471 3 191.6364237 89502 303392812 382712 a-Alanine, conf. I
340842.0979 0.5258 -4.7361 3 361.8244363 89502 303602040 592039 a-Alanine, conf. I
340856.3793 0.3280 -5.3791 3 191.1263279 89502 30346 937 45 837 a-Alanine, conf. I
340856.3819 0.3280 -5.3791 3 191.1263279 89502 303461037 45 937 a-Alanine, conf. I
340946.3058 8.4809 -5.6184 3 694.5438495 89502 303823250 813349 a-Alanine, conf. I
340947.1471 2.9648 -4.7295 3 387.6977375 89502 303622141 612240 a-Alanine, conf. I
340995.7033 0.6677 -4.7284 3 425.3495447 89502 30374 272 73 271 a-Alanine, conf. I
340995.7033 0.6677 -4.1076 3 425.3495447 89502 30374 272 73 371 a-Alanine, conf. I
340995.7033 0.6677 -4.1076 3 425.3495447 89502 30374 372 73 271 a-Alanine, conf. I
340995.7033 0.6677 -4.7284 3 425.3495447 89502 30374 372 73 371 a-Alanine, conf. I
341052.6775 0.7258 -4.9684 3 434.6838375 89502 303623428 613427 a-Alanine, conf. I
341052.6775 0.7258 -4.9684 3 434.6838375 89502 303623429 613428 a-Alanine, conf. I
341170.2006 0.8267 -5.2392 3 228.9426291 89502 303481732 471632 a-Alanine, conf. I
341205.1444 0.4006 -4.7678 3 408.4374405 89502 303671255 661254 a-Alanine, conf. I
341205.1444 0.4006 -4.2757 3 408.4374405 89502 303671255 661354 a-Alanine, conf. I
341205.1444 0.4006 -4.2757 3 408.4374405 89502 303671355 661254 a-Alanine, conf. I
341205.1444 0.4006 -4.7678 3 408.4374405 89502 303671355 661354 a-Alanine, conf. I
341285.8527 0.6267 -5.2809 3 212.1951285 89502 303471334 461234 a-Alanine, conf. I
341316.9258 0.6210 -5.2808 3 212.1954285 89502 303471434 461334 a-Alanine, conf. I
341400.2571 0.0843 -5.1557 3 194.6682243 89502 303402713 392613 a-Alanine, conf. I
341400.2571 0.0843 -4.0785 3 194.6682243 89502 303402713 392614 a-Alanine, conf. I
341400.2571 0.0843 -4.0785 3 194.6682243 89502 303402714 392613 a-Alanine, conf. I
341400.2571 0.0843 -5.1557 3 194.6682243 89502 303402714 392614 a-Alanine, conf. I
341495.1851 0.2607 -5.4894 3 107.3005213 89502 30335 728 34 629 a-Alanine, conf. I
341495.4285 0.2607 -5.4894 3 107.3005213 89502 30335 828 34 529 a-Alanine, conf. I
341549.4522 0.7686 -4.9460 3 429.6538375 89502 303623329 613328 a-Alanine, conf. I
341549.4522 0.7686 -4.9460 3 429.6538375 89502 303623330 613329 a-Alanine, conf. I
341585.1252 0.2206 -5.7820 3 95.9065207 89502 30334 529 33 430 a-Alanine, conf. I
341585.1266 0.2206 -5.7820 3 95.9065207 89502 30334 629 33 330 a-Alanine, conf. I
341604.2389 0.4591 -4.7450 3 423.6752435 89502 30372 567 71 566 a-Alanine, conf. I
341604.2389 0.4591 -4.1523 3 423.6752435 89502 30372 567 71 666 a-Alanine, conf. I
341604.2389 0.4591 -4.1523 3 423.6752435 89502 30372 667 71 566 a-Alanine, conf. I
341604.2389 0.4591 -4.7450 3 423.6752435 89502 30372 667 71 666 a-Alanine, conf. I
341673.2719 1.1547 -4.8089 3 388.4826369 89502 303612636 602635 a-Alanine, conf. I
341687.4783 6.8190 -5.7199 3 749.9468513 89502 303853452 843549 a-Alanine, conf. I
341740.0433 1.1829 -4.8087 3 388.4845369 89502 303612635 602634 a-Alanine, conf. I
341816.1219 0.4395 -4.7520 3 373.3708369 89502 303612141 602140 a-Alanine, conf. I
341822.7340 0.4049 -4.3497 3 400.1436393 89502 303651550 641649 a-Alanine, conf. I
341822.7362 0.4049 -4.7706 3 400.1436393 89502 303651650 641649 a-Alanine, conf. I
341822.7392 0.4049 -4.7706 3 400.1436393 89502 303651550 641549 a-Alanine, conf. I
341822.7413 0.4049 -4.3497 3 400.1436393 89502 303651650 641549 a-Alanine, conf. I
341837.2360 0.1610 -5.2141 3 227.1364285 89502 303472028 461928 a-Alanine, conf. I
341909.6506 0.1187 -5.0919 3 186.9584207 89502 3033434 0 3333 0 a-Alanine, conf. I
341909.6506 0.1187 -3.9268 3 186.9584207 89502 3033434 0 3333 1 a-Alanine, conf. I
341909.6506 0.1187 -3.9268 3 186.9584207 89502 3033434 1 3333 0 a-Alanine, conf. I
341909.6506 0.1187 -5.0919 3 186.9584207 89502 3033434 1 3333 1 a-Alanine, conf. I
341979.1027 0.6739 -5.8245 3 599.1238381 89502 3036356 7 6256 6 a-Alanine, conf. I
341979.1027 0.6739 -5.8245 3 599.1238381 89502 3036356 8 6256 7 a-Alanine, conf. I
341990.7093 0.0927 -5.1642 3 198.0727249 89502 303412615 402515 a-Alanine, conf. I
341990.7093 0.0927 -4.1076 3 198.0727249 89502 303412615 402516 a-Alanine, conf. I
341990.7093 0.0927 -4.1076 3 198.0727249 89502 303412616 402515 a-Alanine, conf. I
341990.7093 0.0927 -5.1642 3 198.0727249 89502 303412616 402516 a-Alanine, conf. I
342066.6977 0.6372 -5.7519 3 590.4610381 89502 3036355 8 6255 7 a-Alanine, conf. I
342066.6977 0.6372 -5.7519 3 590.4610381 89502 3036355 9 6255 8 a-Alanine, conf. I
342079.6085 0.3599 -5.2207 3 233.6182291 89502 303481930 471830 a-Alanine, conf. I
342097.9327 0.3953 -4.7581 3 420.0712423 89502 30370 862 69 861 a-Alanine, conf. I
342097.9327 0.3953 -4.2008 3 420.0712423 89502 30370 862 69 961 a-Alanine, conf. I
342097.9327 0.3953 -4.2008 3 420.0712423 89502 30370 962 69 861 a-Alanine, conf. I
342097.9327 0.3953 -4.7581 3 420.0712423 89502 30370 962 69 961 a-Alanine, conf. I
342106.9507 0.8152 -4.9243 3 424.8060375 89502 303623231 613230 a-Alanine, conf. I
342106.9508 0.8152 -4.9243 3 424.8060375 89502 303623230 613229 a-Alanine, conf. I
342160.5353 0.6034 -5.6865 3 581.9574381 89502 3036354 9 6254 8 a-Alanine, conf. I
342160.5353 0.6034 -5.6865 3 581.9574381 89502 303635410 6254 9 a-Alanine, conf. I
342193.6257 0.2946 -5.4144 3 187.5264279 89502 30346 838 45 738 a-Alanine, conf. I
342193.6259 0.2946 -5.4144 3 187.5264279 89502 30346 938 45 838 a-Alanine, conf. I
342204.7065 7.3514 -5.7185 3 749.9456513 89502 303853451 843550 a-Alanine, conf. I
342232.1900 0.4232 -4.5188 3 381.6335375 89502 303621943 612042 a-Alanine, conf. I
342242.5689 0.7835 -4.7244 3 429.2518453 89502 30375 174 74 173 a-Alanine, conf. I
342242.5689 0.7835 -4.0953 3 429.2518453 89502 30375 174 74 273 a-Alanine, conf. I
342242.5689 0.7835 -4.0953 3 429.2518453 89502 30375 274 74 173 a-Alanine, conf. I
342242.5689 0.7835 -4.7244 3 429.2518453 89502 30375 274 74 273 a-Alanine, conf. I
342261.0847 0.5727 -5.6268 3 573.6133381 89502 303635310 6253 9 a-Alanine, conf. I
342261.0847 0.5727 -5.6268 3 573.6133381 89502 303635311 625310 a-Alanine, conf. I
342353.8512 9.2895 -5.0792 3 456.8471405 89502 303672443 662542 a-Alanine, conf. I
342368.8644 0.5456 -5.5719 3 565.4291381 89502 303635211 625210 a-Alanine, conf. I
342368.8644 0.5456 -5.5719 3 565.4291381 89502 303635212 625211 a-Alanine, conf. I
342395.6460 0.2385 -4.4131 3 227.1364285 89502 303472027 461928 a-Alanine, conf. I
342448.0685 1.9705 -4.7223 3 354.2967357 89502 303592237 582236 a-Alanine, conf. I
342484.4485 0.5224 -5.5209 3 557.4051381 89502 303635112 625111 a-Alanine, conf. I
342484.4485 0.5224 -5.5209 3 557.4051381 89502 303635113 625112 a-Alanine, conf. I
342492.5239 0.3929 -4.7593 3 381.6335375 89502 303622043 612042 a-Alanine, conf. I
342508.6367 0.1017 -5.1726 3 201.8588255 89502 303422517 412417 a-Alanine, conf. I
342508.6367 0.1017 -4.1398 3 201.8588255 89502 303422518 412417 a-Alanine, conf. I
342508.6368 0.1017 -4.1398 3 201.8588255 89502 303422517 412418 a-Alanine, conf. I
342508.6368 0.1017 -5.1726 3 201.8588255 89502 303422518 412418 a-Alanine, conf. I
342542.6272 0.4015 -4.7675 3 414.5121411 89502 303681157 671156 a-Alanine, conf. I
342542.6272 0.4015 -4.2558 3 414.5121411 89502 303681157 671256 a-Alanine, conf. I
342542.6272 0.4015 -4.2558 3 414.5121411 89502 303681257 671156 a-Alanine, conf. I
342542.6272 0.4015 -4.7675 3 414.5121411 89502 303681257 671256 a-Alanine, conf. I
342587.5701 0.1321 -4.3288 3 221.1414279 89502 303462126 452025 a-Alanine, conf. I
342608.4741 0.5035 -5.4733 3 549.5415381 89502 303635013 625012 a-Alanine, conf. I
342608.4741 0.5035 -5.4733 3 549.5415381 89502 303635014 625013 a-Alanine, conf. I
342618.5461 0.1336 -5.2061 3 221.1414279 89502 303462125 452025 a-Alanine, conf. I
342642.4975 0.0959 -5.1005 3 188.0422213 89502 3033533 2 3432 2 a-Alanine, conf. I
342642.4975 0.0959 -3.9452 3 188.0422213 89502 3033533 2 3432 3 a-Alanine, conf. I
342642.4975 0.0959 -3.9452 3 188.0422213 89502 3033533 3 3432 2 a-Alanine, conf. I
342642.4975 0.0959 -5.1005 3 188.0422213 89502 3033533 3 3432 3 a-Alanine, conf. I
342678.2677 0.3626 -5.8736 3 194.3313267 89502 303441727 431528 a-Alanine, conf. I
342706.3154 0.1384 -5.2059 3 221.1374279 89502 303462126 452026 a-Alanine, conf. I
342736.9204 0.3871 -4.7586 3 381.6166375 89502 303621943 611942 a-Alanine, conf. I
342737.2913 0.1410 -4.3285 3 221.1374279 89502 303462125 452026 a-Alanine, conf. I
342737.4130 0.8663 -4.9034 3 420.1446375 89502 303623132 613131 a-Alanine, conf. I
342737.4147 0.8663 -4.9034 3 420.1446375 89502 303623131 613130 a-Alanine, conf. I
342741.6509 0.4891 -5.4286 3 541.8389381 89502 303634914 624913 a-Alanine, conf. I
342741.6509 0.4891 -5.4286 3 541.8389381 89502 303634915 624914 a-Alanine, conf. I
342754.6203 12.8729 -5.4003 3 576.4201453 89502 303752847 742946 a-Alanine, conf. I
342766.4642 12.8120 -5.3343 3 545.2272441 89502 303732746 722845 a-Alanine, conf. I
342884.7712 0.4796 -5.3864 3 534.2976381 89502 303634815 624814 a-Alanine, conf. I
342884.7712 0.4796 -5.3864 3 534.2976381 89502 303634816 624815 a-Alanine, conf. I
342904.0490 0.5188 -4.7419 3 428.2269441 89502 30373 469 72 468 a-Alanine, conf. I
342904.0490 0.5188 -4.1390 3 428.2269441 89502 30373 469 72 568 a-Alanine, conf. I
342904.0490 0.5188 -4.1390 3 428.2269441 89502 30373 569 72 468 a-Alanine, conf. I
342904.0490 0.5188 -4.7419 3 428.2269441 89502 30373 569 72 568 a-Alanine, conf. I
342918.6595 0.1114 -4.1759 3 206.0382261 89502 303432420 422319 a-Alanine, conf. I
342918.6601 0.1114 -5.1810 3 206.0382261 89502 303432419 422319 a-Alanine, conf. I
342918.6631 0.1114 -5.1810 3 206.0382261 89502 303432420 422320 a-Alanine, conf. I
342918.6637 0.1114 -4.1759 3 206.0382261 89502 303432419 422320 a-Alanine, conf. I
342924.9096 2.3724 -4.6178 3 274.1742315 89502 303522033 511932 a-Alanine, conf. I
342979.5845 0.9747 -5.2519 3 226.3574291 89502 303481533 471433 a-Alanine, conf. I
342997.2543 0.4022 -4.5166 3 381.6166375 89502 303622043 611942 a-Alanine, conf. I
343038.7231 0.4751 -5.3466 3 526.9180381 89502 303634716 624715 a-Alanine, conf. I
343038.7231 0.4751 -5.3466 3 526.9180381 89502 303634717 624716 a-Alanine, conf. I
343069.2558 12.1456 -5.2588 3 514.9023429 89502 303712645 702744 a-Alanine, conf. I
343070.2372 0.4104 -4.3228 3 406.9288399 89502 303661452 651551 a-Alanine, conf. I
343070.2372 0.4104 -4.7721 3 406.9288399 89502 303661552 651551 a-Alanine, conf. I
343070.2373 0.4104 -4.7721 3 406.9288399 89502 303661452 651451 a-Alanine, conf. I
343070.2374 0.4104 -4.3228 3 406.9288399 89502 303661552 651451 a-Alanine, conf. I
343109.5327 0.4002 -4.4588 3 389.5540381 89502 303631845 621944 a-Alanine, conf. I
343119.6641 10.9208 -5.1732 3 485.4432417 89502 303692544 682643 a-Alanine, conf. I
343125.5661 0.3995 -4.7656 3 389.5540381 89502 303631945 621944 a-Alanine, conf. I
343140.7841 0.1304 -4.2668 3 215.6486273 89502 303452224 442123 a-Alanine, conf. I
343141.9729 0.1305 -5.1975 3 215.6486273 89502 303452223 442123 a-Alanine, conf. I
343142.8138 0.3990 -4.7656 3 389.5529381 89502 303631845 621844 a-Alanine, conf. I
343146.0095 0.1308 -5.1975 3 215.6485273 89502 303452224 442124 a-Alanine, conf. I
343147.1983 0.1309 -4.2668 3 215.6485273 89502 303452223 442124 a-Alanine, conf. I
343158.8472 0.3986 -4.4586 3 389.5529381 89502 303631945 621844 a-Alanine, conf. I
343163.5450 0.1214 -4.2175 3 210.6270267 89502 303442322 432221 a-Alanine, conf. I
343163.5776 0.1214 -5.1893 3 210.6270267 89502 303442321 432221 a-Alanine, conf. I
343163.7063 0.1214 -5.1893 3 210.6270267 89502 303442322 432222 a-Alanine, conf. I
343163.7389 0.1214 -4.2175 3 210.6270267 89502 303442321 432222 a-Alanine, conf. I
343188.1735 0.7241 -5.0461 3 148.1880237 89502 303391426 381127 a-Alanine, conf. I
343201.6629 1.2425 -4.7905 3 385.0710369 89502 303612537 602536 a-Alanine, conf. I
343204.5050 0.4757 -5.3088 3 519.7008381 89502 303634617 624616 a-Alanine, conf. I
343204.5050 0.4757 -5.3088 3 519.7008381 89502 303634618 624617 a-Alanine, conf. I
343286.5212 0.4549 -4.4483 3 236.0963291 89502 303482029 471928 a-Alanine, conf. I
343369.9333 0.0804 -5.1091 3 189.4749219 89502 3033632 4 3531 4 a-Alanine, conf. I
343369.9333 0.0804 -3.9646 3 189.4749219 89502 3033632 4 3531 5 a-Alanine, conf. I
343369.9333 0.0804 -3.9646 3 189.4749219 89502 3033632 5 3531 4 a-Alanine, conf. I
343369.9333 0.0804 -5.1091 3 189.4749219 89502 3033632 5 3531 5 a-Alanine, conf. I
343383.2444 0.4811 -5.2728 3 512.6465381 89502 303634518 624517 a-Alanine, conf. I
343383.2444 0.4811 -5.2728 3 512.6465381 89502 303634519 624518 a-Alanine, conf. I
343403.5191 0.2818 -5.4566 3 183.7814279 89502 30346 739 45 639 a-Alanine, conf. I
343403.5191 0.2818 -5.4566 3 183.7814279 89502 30346 839 45 739 a-Alanine, conf. I
343434.6337 0.4100 -4.7562 3 425.2732429 89502 30371 764 70 763 a-Alanine, conf. I
343434.6337 0.4100 -4.1857 3 425.2732429 89502 30371 764 70 863 a-Alanine, conf. I
343434.6337 0.4100 -4.1857 3 425.2732429 89502 30371 864 70 763 a-Alanine, conf. I
343434.6337 0.4100 -4.7562 3 425.2732429 89502 30371 864 70 863 a-Alanine, conf. I
343452.2917 12.4291 -5.4592 3 608.4824465 89502 303772948 763047 a-Alanine, conf. I
343457.1899 0.9232 -4.8832 3 415.6748375 89502 303623033 613032 a-Alanine, conf. I
343457.2106 0.9232 -4.8832 3 415.6748375 89502 303623032 613031 a-Alanine, conf. I
343467.0884 0.9182 -4.7201 3 432.9504459 89502 30376 076 75 075 a-Alanine, conf. I
343467.0884 0.9182 -4.0834 3 432.9504459 89502 30376 076 75 175 a-Alanine, conf. I
343467.0884 0.9182 -4.0834 3 432.9504459 89502 30376 176 75 075 a-Alanine, conf. I
343467.0884 0.9182 -4.7201 3 432.9504459 89502 30376 176 75 175 a-Alanine, conf. I
343512.7972 0.5321 -5.2988 3 209.1327285 89502 303471235 461135 a-Alanine, conf. I
343515.9143 0.5315 -5.2988 3 209.1327285 89502 303471335 461235 a-Alanine, conf. I
343576.2195 0.4913 -5.2385 3 505.7557381 89502 303634419 624418 a-Alanine, conf. I
343576.2195 0.4913 -5.2385 3 505.7557381 89502 303634420 624419 a-Alanine, conf. I
343632.9015 1.4054 -4.7894 3 385.0854369 89502 303612536 602535 a-Alanine, conf. I
343677.2416 6.9202 -5.8716 3 829.0564537 89502 303893753 883850 a-Alanine, conf. I
343701.1604 6.9519 -5.8715 3 829.0564537 89502 303893752 883851 a-Alanine, conf. I
343703.9879 0.7149 -4.7091 3 352.4485357 89502 303592138 582137 a-Alanine, conf. I
343784.8865 0.5058 -5.2058 3 499.0292381 89502 303634320 624319 a-Alanine, conf. I
343784.8865 0.5058 -5.2058 3 499.0292381 89502 303634321 624320 a-Alanine, conf. I
343849.3906 0.8284 -5.2499 3 226.3686291 89502 303481633 471533 a-Alanine, conf. I
343888.0238 0.4021 -4.7667 3 420.3757417 89502 303691059 681058 a-Alanine, conf. I
343888.0238 0.4021 -4.2377 3 420.3757417 89502 303691059 681158 a-Alanine, conf. I
343888.0238 0.4021 -4.2377 3 420.3757417 89502 303691159 681058 a-Alanine, conf. I
343888.0238 0.4021 -4.7667 3 420.3757417 89502 303691159 681158 a-Alanine, conf. I
343931.9206 0.5192 -5.2088 3 127.5483225 89502 303371027 36 928 a-Alanine, conf. I
344010.9124 0.5243 -5.1745 3 492.4677381 89502 303634221 624220 a-Alanine, conf. I
344010.9124 0.5243 -5.1745 3 492.4677381 89502 303634222 624221 a-Alanine, conf. I
344015.7886 6.7779 -5.6746 3 729.7386507 89502 303843352 833449 a-Alanine, conf. I
344018.6155 0.4075 -4.4146 3 397.1571387 89502 303641747 631846 a-Alanine, conf. I
344019.3799 0.4075 -4.7703 3 397.1571387 89502 303641847 631846 a-Alanine, conf. I
344020.2892 0.4075 -4.7703 3 397.1570387 89502 303641747 631746 a-Alanine, conf. I
344021.0536 0.4075 -4.4146 3 397.1570387 89502 303641847 631746 a-Alanine, conf. I
344027.5935 0.5108 -5.2086 3 127.5482225 89502 303371127 36 828 a-Alanine, conf. I
344080.6499 0.4864 -4.7451 3 373.1937369 89502 303612041 602040 a-Alanine, conf. I
344088.9366 0.0727 -5.1178 3 191.2589225 89502 3033731 6 3630 6 a-Alanine, conf. I
344088.9366 0.0727 -3.9851 3 191.2589225 89502 3033731 6 3630 7 a-Alanine, conf. I
344088.9366 0.0727 -3.9851 3 191.2589225 89502 3033731 7 3630 6 a-Alanine, conf. I
344088.9366 0.0727 -5.1178 3 191.2589225 89502 3033731 7 3630 7 a-Alanine, conf. I
344185.7715 0.5984 -4.7386 3 432.5767447 89502 30374 371 73 370 a-Alanine, conf. I
344185.7715 0.5984 -4.1262 3 432.5767447 89502 30374 371 73 470 a-Alanine, conf. I
344185.7715 0.5984 -4.1262 3 432.5767447 89502 30374 471 73 370 a-Alanine, conf. I
344185.7715 0.5984 -4.7386 3 432.5767447 89502 30374 471 73 470 a-Alanine, conf. I
344256.2168 0.5465 -5.1445 3 486.0722381 89502 303634122 624121 a-Alanine, conf. I
344256.2168 0.5465 -5.1445 3 486.0722381 89502 303634123 624122 a-Alanine, conf. I
344288.8839 0.9880 -4.8635 3 411.4033375 89502 303622934 612933 a-Alanine, conf. I
344289.1116 0.9881 -4.8635 3 411.4033375 89502 303622933 612932 a-Alanine, conf. I
344364.7636 0.4142 -4.7730 3 413.4844405 89502 303671354 661353 a-Alanine, conf. I
344364.7636 0.4142 -4.2992 3 413.4844405 89502 303671354 661453 a-Alanine, conf. I
344364.7636 0.4142 -4.2992 3 413.4844405 89502 303671454 661353 a-Alanine, conf. I
344364.7636 0.4142 -4.7730 3 413.4844405 89502 303671454 661453 a-Alanine, conf. I
344430.2615 0.2526 -5.2164 3 236.0963291 89502 303482028 471928 a-Alanine, conf. I
344507.7004 0.2912 -5.5078 3 179.8955279 89502 30346 640 45 540 a-Alanine, conf. I
344507.7004 0.2912 -5.5078 3 179.8955279 89502 30346 740 45 640 a-Alanine, conf. I
344523.0244 0.5720 -5.1157 3 479.8437381 89502 303634023 624022 a-Alanine, conf. I
344523.0244 0.5720 -5.1157 3 479.8437381 89502 303634024 624023 a-Alanine, conf. I
344552.9013 0.6718 -4.7525 3 376.2046369 89502 303612240 602239 a-Alanine, conf. I
344557.8743 0.8634 -4.5931 3 384.7725375 89502 303622042 612141 a-Alanine, conf. I
344565.6950 2.1889 -4.7456 3 367.9039363 89502 303602337 592336 a-Alanine, conf. I
344611.9095 0.6713 -5.2159 3 262.6792309 89502 303511932 501832 a-Alanine, conf. I
344616.4252 0.3728 -5.8237 3 107.0778201 89502 303331419 321122 a-Alanine, conf. I
344732.0496 1.2384 -4.7732 3 381.9165369 89502 303612438 602437 a-Alanine, conf. I
344759.9198 0.4373 -4.7539 3 430.2727435 89502 30372 666 71 665 a-Alanine, conf. I
344759.9198 0.4373 -4.1715 3 430.2727435 89502 30372 666 71 765 a-Alanine, conf. I
344759.9198 0.4373 -4.1715 3 430.2727435 89502 30372 766 71 665 a-Alanine, conf. I
344759.9198 0.4373 -4.7539 3 430.2727435 89502 30372 766 71 765 a-Alanine, conf. I
344795.2680 0.0721 -5.1264 3 193.3973231 89502 3033830 8 3729 8 a-Alanine, conf. I
344795.2680 0.0721 -4.0070 3 193.3973231 89502 3033830 8 3729 9 a-Alanine, conf. I
344795.2680 0.0721 -4.0070 3 193.3973231 89502 3033830 9 3729 8 a-Alanine, conf. I
344795.2680 0.0721 -5.1264 3 193.3973231 89502 3033830 9 3729 9 a-Alanine, conf. I
344813.9312 0.6005 -5.0881 3 473.7834381 89502 303633924 623923 a-Alanine, conf. I
344813.9312 0.6005 -5.0881 3 473.7834381 89502 303633925 623924 a-Alanine, conf. I
345077.2572 11.6985 -5.5139 3 641.4149477 89502 303793049 783148 a-Alanine, conf. I
345097.0205 0.4149 -4.3792 3 404.4793393 89502 303651649 641748 a-Alanine, conf. I
345097.0497 0.4149 -4.7737 3 404.4793393 89502 303651749 641748 a-Alanine, conf. I
345097.0874 0.4149 -4.7737 3 404.4793393 89502 303651649 641648 a-Alanine, conf. I
345097.1165 0.4149 -4.3792 3 404.4793393 89502 303651749 641648 a-Alanine, conf. I
345131.9911 0.6319 -5.0616 3 467.8926381 89502 303633825 623824 a-Alanine, conf. I
345131.9911 0.6319 -5.0616 3 467.8926381 89502 303633826 623825 a-Alanine, conf. I
345234.2202 0.4045 -4.7657 3 426.0317423 89502 30370 961 69 960 a-Alanine, conf. I
345234.2202 0.4045 -4.2210 3 426.0317423 89502 30370 961 691060 a-Alanine, conf. I
345234.2202 0.4045 -4.2210 3 426.0317423 89502 303701061 69 960 a-Alanine, conf. I
345234.2202 0.4045 -4.7657 3 426.0317423 89502 303701061 691060 a-Alanine, conf. I
345264.7612 1.0638 -4.8443 3 407.3385375 89502 303622835 612834 a-Alanine, conf. I
345266.9771 1.0649 -4.8443 3 407.3385375 89502 303622834 612833 a-Alanine, conf. I
345328.6934 1.8499 -4.5760 3 264.2784309 89502 303512032 501931 a-Alanine, conf. I
345374.8640 7.0568 -5.8218 3 807.6097531 89502 303883653 873750 a-Alanine, conf. I
345401.5156 0.4549 -5.3202 3 205.8960285 89502 303471136 461036 a-Alanine, conf. I
345401.7750 0.4548 -5.3202 3 205.8960285 89502 303471236 461136 a-Alanine, conf. I
345447.6785 0.6980 -4.7351 3 436.7239453 89502 30375 273 74 272 a-Alanine, conf. I
345447.6785 0.6980 -4.1140 3 436.7239453 89502 30375 273 74 372 a-Alanine, conf. I
345447.6785 0.6980 -4.1140 3 436.7239453 89502 30375 373 74 272 a-Alanine, conf. I
345447.6785 0.6980 -4.7351 3 436.7239453 89502 30375 373 74 372 a-Alanine, conf. I
345461.8169 7.1634 -5.8216 3 807.6095531 89502 303883652 873751 a-Alanine, conf. I
345467.0101 0.8004 -4.4857 3 245.2371297 89502 303492030 481929 a-Alanine, conf. I
345480.8299 0.6659 -5.0361 3 462.1728381 89502 303633726 623725 a-Alanine, conf. I
345480.8299 0.6659 -5.0361 3 462.1728381 89502 303633727 623726 a-Alanine, conf. I
345482.6726 1.7426 -5.0052 3 164.9215249 89502 303411427 401328 a-Alanine, conf. I
345482.9706 0.0764 -5.1351 3 195.8937237 89502 303392910 382810 a-Alanine, conf. I
345482.9706 0.0764 -4.0304 3 195.8937237 89502 303392910 382811 a-Alanine, conf. I
345482.9706 0.0764 -4.0304 3 195.8937237 89502 303392911 382810 a-Alanine, conf. I
345482.9706 0.0764 -5.1351 3 195.8937237 89502 303392911 382811 a-Alanine, conf. I
345500.8782 1.0253 -4.7594 3 378.9960369 89502 303612339 602338 a-Alanine, conf. I
345521.7342 1.9586 -5.6063 3 671.4537489 89502 303813052 803149 a-Alanine, conf. I
345522.6476 0.3205 -5.5712 3 175.8720279 89502 30346 541 45 441 a-Alanine, conf. I
345522.6476 0.3205 -5.5712 3 175.8720279 89502 30346 641 45 541 a-Alanine, conf. I
345654.0261 8.3052 -5.6699 3 729.7344507 89502 303843351 833450 a-Alanine, conf. I
345687.4464 0.4163 -4.7734 3 419.8188411 89502 303681256 671255 a-Alanine, conf. I
345687.4464 0.4163 -4.2781 3 419.8188411 89502 303681256 671355 a-Alanine, conf. I
345687.4464 0.4163 -4.2781 3 419.8188411 89502 303681356 671255 a-Alanine, conf. I
345687.4464 0.4163 -4.7734 3 419.8188411 89502 303681356 671355 a-Alanine, conf. I
345864.7967 0.7027 -5.0116 3 456.6260381 89502 303633627 623626 a-Alanine, conf. I
345864.7967 0.7027 -5.0116 3 456.6260381 89502 303633628 623627 a-Alanine, conf. I
346070.9937 0.4809 -4.7514 3 435.0699441 89502 30373 568 72 567 a-Alanine, conf. I
346070.9937 0.4809 -4.1580 3 435.0699441 89502 30373 568 72 667 a-Alanine, conf. I
346070.9937 0.4809 -4.1580 3 435.0699441 89502 30373 668 72 567 a-Alanine, conf. I
346070.9937 0.4809 -4.7514 3 435.0699441 89502 30373 668 72 667 a-Alanine, conf. I
346143.6227 0.0834 -5.1437 3 198.7527243 89502 303402812 392712 a-Alanine, conf. I
346143.6227 0.0834 -4.0556 3 198.7527243 89502 303402812 392713 a-Alanine, conf. I
346143.6227 0.0834 -4.0556 3 198.7527243 89502 303402813 392712 a-Alanine, conf. I
346143.6227 0.0834 -5.1437 3 198.7527243 89502 303402813 392713 a-Alanine, conf. I
346150.1582 1.9402 -4.6192 3 361.8244363 89502 303602140 592039 a-Alanine, conf. I
346218.0686 1.2864 -4.5295 3 254.6297303 89502 303502031 491930 a-Alanine, conf. I
346229.2524 6.2854 -5.6341 3 709.9061501 89502 303833252 823349 a-Alanine, conf. I
346238.0004 2.5018 -4.8842 3 192.7371267 89502 303441628 431529 a-Alanine, conf. I
346246.5277 0.4267 -4.7573 3 384.7725375 89502 303622142 612141 a-Alanine, conf. I
346286.3041 0.4215 -4.3495 3 411.5456399 89502 303661551 651650 a-Alanine, conf. I
346286.3050 0.4215 -4.7761 3 411.5456399 89502 303661651 651650 a-Alanine, conf. I
346286.3063 0.4215 -4.7761 3 411.5456399 89502 303661551 651550 a-Alanine, conf. I
346286.3072 0.4215 -4.3495 3 411.5456399 89502 303661651 651550 a-Alanine, conf. I
346289.1726 0.7423 -4.9879 3 451.2543381 89502 303633528 623527 a-Alanine, conf. I
346289.1726 0.7423 -4.9879 3 451.2543381 89502 303633529 623528 a-Alanine, conf. I
346337.3483 1.3207 -5.2420 3 237.7979297 89502 303491633 481533 a-Alanine, conf. I
346398.4072 0.3306 -5.3795 3 115.9936219 89502 30336 828 35 729 a-Alanine, conf. I
346399.9711 0.3305 -5.3795 3 115.9936219 89502 30336 928 35 629 a-Alanine, conf. I
346430.1060 1.1542 -4.8256 3 403.4921375 89502 303622736 612735 a-Alanine, conf. I
346448.8917 1.1630 -4.8255 3 403.4926375 89502 303622735 612734 a-Alanine, conf. I
346461.2497 0.3646 -5.6523 3 171.7135279 89502 30346 442 45 342 a-Alanine, conf. I
346461.2497 0.3646 -5.6523 3 171.7135279 89502 30346 542 45 442 a-Alanine, conf. I
346565.6709 0.7607 -5.2626 3 223.5792291 89502 303481434 471334 a-Alanine, conf. I
346575.8554 0.4118 -4.7643 3 431.4823429 89502 30371 863 70 862 a-Alanine, conf. I
346575.8554 0.4118 -4.2054 3 431.4823429 89502 30371 863 70 962 a-Alanine, conf. I
346575.8554 0.4118 -4.2054 3 431.4823429 89502 30371 963 70 862 a-Alanine, conf. I
346575.8554 0.4118 -4.7643 3 431.4823429 89502 30371 963 70 962 a-Alanine, conf. I
346675.3591 2.5989 -4.6409 3 350.5569357 89502 303592139 582038 a-Alanine, conf. I
346675.9242 0.4200 -4.5067 3 393.0578381 89502 303631944 622043 a-Alanine, conf. I
346688.2605 0.8172 -4.7313 3 440.6678459 89502 30376 175 75 174 a-Alanine, conf. I
346688.2605 0.8172 -4.1021 3 440.6678459 89502 30376 175 75 274 a-Alanine, conf. I
346688.2605 0.8172 -4.1021 3 440.6678459 89502 30376 275 75 174 a-Alanine, conf. I
346688.2605 0.8172 -4.7313 3 440.6678459 89502 30376 275 75 274 a-Alanine, conf. I
346691.9673 0.7373 -5.2623 3 223.5805291 89502 303481534 471434 a-Alanine, conf. I
346720.8725 0.1921 -5.2117 3 235.9817291 89502 303482029 471929 a-Alanine, conf. I
346760.4616 0.7849 -4.9651 3 446.0601381 89502 303633429 623428 a-Alanine, conf. I
346760.4616 0.7849 -4.9651 3 446.0601381 89502 303633430 623429 a-Alanine, conf. I
346765.1814 0.0916 -5.1524 3 201.9801249 89502 303412714 402614 a-Alanine, conf. I
346765.1814 0.0916 -4.0829 3 201.9801249 89502 303412714 402615 a-Alanine, conf. I
346765.1814 0.0916 -4.0829 3 201.9801249 89502 303412715 402614 a-Alanine, conf. I
346765.1814 0.0916 -5.1524 3 201.9801249 89502 303412715 402615 a-Alanine, conf. I
346807.8212 0.4084 -4.7651 3 393.0578381 89502 303632044 622043 a-Alanine, conf. I
346897.6844 1.9140 -4.7675 3 382.0041369 89502 303612437 602436 a-Alanine, conf. I
346936.2581 0.4046 -4.7647 3 393.0491381 89502 303631944 621943 a-Alanine, conf. I
347025.4880 0.4170 -4.7733 3 425.9381417 89502 303691158 681157 a-Alanine, conf. I
347025.4880 0.4170 -4.2591 3 425.9381417 89502 303691158 681257 a-Alanine, conf. I
347025.4880 0.4170 -4.2591 3 425.9381417 89502 303691258 681157 a-Alanine, conf. I
347025.4880 0.4170 -4.7733 3 425.9381417 89502 303691258 681257 a-Alanine, conf. I
347050.1544 0.3911 -5.3455 3 202.4961285 89502 303471037 46 937 a-Alanine, conf. I
347050.1725 0.3911 -5.3455 3 202.4961285 89502 303471137 461037 a-Alanine, conf. I
347061.1189 0.2332 -5.6195 3 104.4169213 89502 30335 629 34 530 a-Alanine, conf. I
347061.1316 0.2332 -5.6195 3 104.4169213 89502 30335 729 34 430 a-Alanine, conf. I
347064.2468 0.7797 -5.2269 3 240.3228297 89502 303491832 481732 a-Alanine, conf. I
347068.1551 0.4064 -4.5057 3 393.0491381 89502 303632044 621943 a-Alanine, conf. I
347124.1822 1.3394 -4.5980 3 373.1937369 89502 303612141 602040 a-Alanine, conf. I
347210.7449 0.6663 -5.1415 3 136.6063231 89502 303381127 371028 a-Alanine, conf. I
347286.8098 0.8311 -4.9431 3 441.0466381 89502 303633331 623330 a-Alanine, conf. I
347286.8099 0.8311 -4.9431 3 441.0466381 89502 303633330 623329 a-Alanine, conf. I
347330.1172 0.1005 -5.1609 3 205.5834255 89502 303422616 412516 a-Alanine, conf. I
347330.1172 0.1005 -4.1129 3 205.5834255 89502 303422616 412517 a-Alanine, conf. I
347330.1172 0.1005 -4.1129 3 205.5834255 89502 303422617 412516 a-Alanine, conf. I
347330.1172 0.1005 -5.1609 3 205.5834255 89502 303422617 412517 a-Alanine, conf. I
347331.7239 0.1116 -5.0890 3 193.1232213 89502 3033534 1 3433 1 a-Alanine, conf. I
347331.7239 0.1116 -3.9285 3 193.1232213 89502 3033534 1 3433 2 a-Alanine, conf. I
347331.7239 0.1116 -3.9285 3 193.1232213 89502 3033534 2 3433 1 a-Alanine, conf. I
347331.7239 0.1116 -5.0890 3 193.1232213 89502 3033534 2 3433 2 a-Alanine, conf. I
347333.8103 0.4190 -5.7613 3 167.4223279 89502 30346 343 45 243 a-Alanine, conf. I
347333.8103 0.4190 -5.7613 3 167.4223279 89502 30346 443 45 343 a-Alanine, conf. I
347334.3070 0.1375 -4.3465 3 229.7446285 89502 303472127 462026 a-Alanine, conf. I
347355.8372 0.7109 -5.8529 3 619.3501387 89502 3036457 7 6357 6 a-Alanine, conf. I
347355.8372 0.7109 -5.8529 3 619.3501387 89502 3036457 8 6357 7 a-Alanine, conf. I
347365.5372 0.5435 -4.7486 3 439.6649447 89502 30374 470 73 469 a-Alanine, conf. I
347365.5372 0.5435 -4.1451 3 439.6649447 89502 30374 470 73 569 a-Alanine, conf. I
347365.5372 0.5435 -4.1451 3 439.6649447 89502 30374 570 73 469 a-Alanine, conf. I
347365.5372 0.5435 -4.7486 3 439.6649447 89502 30374 570 73 569 a-Alanine, conf. I
347383.1522 7.2002 -5.7731 3 786.5216525 89502 303873553 863650 a-Alanine, conf. I
347387.0486 4.8131 -5.6057 3 690.4667495 89502 303823152 813249 a-Alanine, conf. I
347405.9228 0.1387 -5.2039 3 229.7446285 89502 303472126 462026 a-Alanine, conf. I
347442.0503 0.6727 -5.7799 3 610.5310387 89502 3036456 8 6356 7 a-Alanine, conf. I
347442.0503 0.6727 -5.7799 3 610.5310387 89502 3036456 9 6356 8 a-Alanine, conf. I
347490.8618 0.4167 -4.4526 3 400.9995387 89502 303641846 631945 a-Alanine, conf. I
347498.4889 0.4165 -4.7713 3 400.9995387 89502 303641946 631945 a-Alanine, conf. I
347506.8952 0.4163 -4.7713 3 400.9989387 89502 303641846 631845 a-Alanine, conf. I
347514.5223 0.4160 -4.4525 3 400.9989387 89502 303641946 631845 a-Alanine, conf. I
347534.3543 0.6374 -5.7141 3 601.8711387 89502 3036455 9 6355 8 a-Alanine, conf. I
347534.3543 0.6374 -5.7141 3 601.8711387 89502 303645510 6355 9 a-Alanine, conf. I
347544.0964 0.4269 -4.3239 3 418.3724405 89502 303671453 661552 a-Alanine, conf. I
347544.0964 0.4269 -4.7778 3 418.3724405 89502 303671553 661552 a-Alanine, conf. I
347544.0965 0.4269 -4.7778 3 418.3724405 89502 303671453 661452 a-Alanine, conf. I
347544.0965 0.4269 -4.3239 3 418.3724405 89502 303671553 661452 a-Alanine, conf. I
347596.6239 0.1475 -5.2035 3 229.7359285 89502 303472127 462027 a-Alanine, conf. I
347601.4067 0.4431 -4.7533 3 384.6710375 89502 303622042 612041 a-Alanine, conf. I
347613.8492 0.6296 -5.1408 3 136.6060231 89502 303381227 37 928 a-Alanine, conf. I
347633.1973 0.6053 -5.6541 3 593.3706387 89502 303645410 6354 9 a-Alanine, conf. I
347633.1973 0.6053 -5.6541 3 593.3706387 89502 303645411 635410 a-Alanine, conf. I
347644.7581 10.9176 -5.5669 3 675.2182489 89502 303813150 803249 a-Alanine, conf. I
347668.2398 0.1540 -4.3458 3 229.7359285 89502 303472126 462027 a-Alanine, conf. I
347683.6164 7.5394 -5.7723 3 786.5209525 89502 303873552 863651 a-Alanine, conf. I
347714.6158 0.3814 -5.2171 3 245.2371297 89502 303492029 481929 a-Alanine, conf. I
347739.0734 0.5766 -5.5987 3 585.0299387 89502 303645311 635310 a-Alanine, conf. I
347739.0734 0.5766 -5.5987 3 585.0299387 89502 303645312 635311 a-Alanine, conf. I
347812.2422 0.1101 -5.1695 3 209.5722261 89502 303432518 422418 a-Alanine, conf. I
347812.2422 0.1101 -4.1461 3 209.5722261 89502 303432519 422418 a-Alanine, conf. I
347812.2424 0.1101 -4.1461 3 209.5722261 89502 303432518 422419 a-Alanine, conf. I
347812.2424 0.1101 -5.1695 3 209.5722261 89502 303432519 422419 a-Alanine, conf. I
347832.0132 1.2559 -4.8071 3 399.8796375 89502 303622637 612636 a-Alanine, conf. I
347852.5283 0.5519 -5.5473 3 576.8493387 89502 303645212 635211 a-Alanine, conf. I
347852.5283 0.5519 -5.5473 3 576.8493387 89502 303645213 635212 a-Alanine, conf. I
347860.9249 0.4886 -5.2182 3 242.6699297 89502 303491931 481831 a-Alanine, conf. I
347864.6127 0.3798 -4.4405 3 235.9817291 89502 303482028 471929 a-Alanine, conf. I
347878.6300 0.8813 -4.9219 3 436.2174381 89502 303633232 623231 a-Alanine, conf. I
347878.6303 0.8813 -4.9219 3 436.2174381 89502 303633231 623230 a-Alanine, conf. I
347906.1781 0.9558 -4.7272 3 444.4073465 89502 30377 077 76 076 a-Alanine, conf. I
347906.1781 0.9558 -4.0905 3 444.4073465 89502 30377 077 76 176 a-Alanine, conf. I
347906.1781 0.9558 -4.0905 3 444.4073465 89502 30377 177 76 076 a-Alanine, conf. I
347906.1781 0.9558 -4.7272 3 444.4073465 89502 30377 177 76 176 a-Alanine, conf. I
347908.7711 0.4280 -4.7626 3 436.7290435 89502 30372 765 71 764 a-Alanine, conf. I
347908.7711 0.4280 -4.1909 3 436.7290435 89502 30372 765 71 864 a-Alanine, conf. I
347908.7711 0.4280 -4.1909 3 436.7290435 89502 30372 865 71 764 a-Alanine, conf. I
347908.7711 0.4280 -4.7626 3 436.7290435 89502 30372 865 71 864 a-Alanine, conf. I
347927.8990 1.7712 -5.2359 3 249.3505303 89502 303501733 491633 a-Alanine, conf. I
347967.9534 1.3138 -4.8067 3 399.8838375 89502 303622636 612635 a-Alanine, conf. I
347974.1668 0.5315 -5.4993 3 568.8291387 89502 303645113 635112 a-Alanine, conf. I
347974.1668 0.5315 -5.4993 3 568.8291387 89502 303645114 635113 a-Alanine, conf. I
347999.1309 0.3732 -4.7167 3 363.9132363 89502 303602139 592138 a-Alanine, conf. I
348061.8810 0.0916 -5.0975 3 194.3934219 89502 3033633 3 3532 3 a-Alanine, conf. I
348061.8810 0.0916 -3.9472 3 194.3934219 89502 3033633 3 3532 4 a-Alanine, conf. I
348061.8810 0.0916 -3.9472 3 194.3934219 89502 3033633 4 3532 3 a-Alanine, conf. I
348061.8810 0.0916 -5.0975 3 194.3934219 89502 3033633 4 3532 4 a-Alanine, conf. I
348104.6606 0.5156 -5.4543 3 560.9697387 89502 303645014 635013 a-Alanine, conf. I
348104.6606 0.5156 -5.4543 3 560.9697387 89502 303645015 635014 a-Alanine, conf. I
348170.9265 0.1202 -4.1837 3 213.9593267 89502 303442421 432320 a-Alanine, conf. I
348170.9286 0.1202 -5.1779 3 213.9593267 89502 303442420 432320 a-Alanine, conf. I
348170.9375 0.1202 -5.1779 3 213.9593267 89502 303442421 432321 a-Alanine, conf. I
348170.9396 0.1202 -4.1837 3 213.9593267 89502 303442420 432321 a-Alanine, conf. I
348190.9933 0.1386 -4.2794 3 224.0091279 89502 303462225 452124 a-Alanine, conf. I
348194.0550 0.1388 -5.1949 3 224.0091279 89502 303462224 452124 a-Alanine, conf. I
348203.9388 0.1395 -5.1948 3 224.0087279 89502 303462225 452125 a-Alanine, conf. I
348207.0005 0.1398 -4.2794 3 224.0087279 89502 303462224 452125 a-Alanine, conf. I
348229.8123 2.1947 -4.6828 3 222.4914285 89502 303471829 461730 a-Alanine, conf. I
348244.7582 0.5047 -5.4117 3 553.2715387 89502 303644915 634914 a-Alanine, conf. I
348244.7582 0.5047 -5.4117 3 553.2715387 89502 303644916 634915 a-Alanine, conf. I
348326.4183 1.3193 -4.5599 3 233.6182291 89502 303481929 471830 a-Alanine, conf. I
348332.6079 10.9073 -5.8311 3 718.3203507 89502 303843055 833152 a-Alanine, conf. I
348339.2972 0.1304 -4.2272 3 218.7628273 89502 303452323 442222 a-Alanine, conf. I
348339.3907 0.1304 -5.1864 3 218.7628273 89502 303452322 442222 a-Alanine, conf. I
348339.7431 0.1304 -5.1864 3 218.7628273 89502 303452323 442223 a-Alanine, conf. I
348339.8365 0.1304 -4.2272 3 218.7628273 89502 303452322 442223 a-Alanine, conf. I
348369.8106 0.4177 -4.7729 3 431.8466423 89502 303701060 691059 a-Alanine, conf. I
348369.8106 0.4177 -4.2417 3 431.8466423 89502 303701060 691159 a-Alanine, conf. I
348369.8106 0.4177 -4.2417 3 431.8466423 89502 303701160 691059 a-Alanine, conf. I
348369.8106 0.4177 -4.7729 3 431.8466423 89502 303701160 691159 a-Alanine, conf. I
348395.2961 0.4988 -5.3715 3 545.7350387 89502 303644816 634815 a-Alanine, conf. I
348395.2961 0.4988 -5.3715 3 545.7350387 89502 303644817 634816 a-Alanine, conf. I
348408.2424 4.4804 -4.8067 3 414.1193387 89502 303642242 632341 a-Alanine, conf. I
348440.2234 0.4245 -4.4116 3 408.6323393 89502 303651748 641847 a-Alanine, conf. I
348440.5692 0.4245 -4.7760 3 408.6323393 89502 303651848 641847 a-Alanine, conf. I
348440.9878 0.4245 -4.7760 3 408.6323393 89502 303651748 641747 a-Alanine, conf. I
348441.3335 0.4245 -4.4116 3 408.6323393 89502 303651848 641747 a-Alanine, conf. I
348461.2083 1.9045 -5.2271 3 260.9561309 89502 303511833 501733 a-Alanine, conf. I
348514.5093 0.3418 -5.3754 3 198.9407285 89502 30347 938 46 838 a-Alanine, conf. I
348514.5104 0.3418 -5.3754 3 198.9407285 89502 303471038 46 938 a-Alanine, conf. I
348549.5674 0.9368 -4.9013 3 431.5771381 89502 303633133 623132 a-Alanine, conf. I
348549.5718 0.9368 -4.9013 3 431.5771381 89502 303633132 623131 a-Alanine, conf. I
348557.2125 0.4980 -5.3333 3 538.3606387 89502 303644717 634716 a-Alanine, conf. I
348557.2125 0.4980 -5.3333 3 538.3606387 89502 303644718 634717 a-Alanine, conf. I
348619.3242 0.5916 -5.0303 3 157.5110243 89502 303401526 391227 a-Alanine, conf. I
348641.5895 0.6262 -4.7456 3 444.0575453 89502 30375 372 74 371 a-Alanine, conf. I
348641.5895 0.6262 -4.1327 3 444.0575453 89502 30375 372 74 471 a-Alanine, conf. I
348641.5895 0.6262 -4.1327 3 444.0575453 89502 30375 472 74 371 a-Alanine, conf. I
348641.5895 0.6262 -4.7456 3 444.0575453 89502 30375 472 74 471 a-Alanine, conf. I
348731.5635 0.5022 -5.2970 3 531.1489387 89502 303644618 634617 a-Alanine, conf. I
348731.5635 0.5022 -5.2970 3 531.1489387 89502 303644619 634618 a-Alanine, conf. I
348772.9682 3.1502 -4.6586 3 339.3943351 89502 303582138 572037 a-Alanine, conf. I
348785.3399 0.0794 -5.1061 3 196.0135225 89502 3033732 5 3631 5 a-Alanine, conf. I
348785.3399 0.0794 -3.9669 3 196.0135225 89502 3033732 5 3631 6 a-Alanine, conf. I
348785.3399 0.0794 -3.9669 3 196.0135225 89502 3033732 6 3631 5 a-Alanine, conf. I
348785.3399 0.0794 -5.1061 3 196.0135225 89502 3033732 6 3631 6 a-Alanine, conf. I
348844.0853 0.4305 -4.7789 3 424.9712411 89502 303681355 671354 a-Alanine, conf. I
348844.0853 0.4305 -4.3014 3 424.9712411 89502 303681355 671454 a-Alanine, conf. I
348844.0853 0.4305 -4.3014 3 424.9712411 89502 303681455 671354 a-Alanine, conf. I
348844.0853 0.4305 -4.7789 3 424.9712411 89502 303681455 671454 a-Alanine, conf. I
348919.5427 0.5113 -5.2623 3 524.1006387 89502 303644519 634518 a-Alanine, conf. I
348919.5427 0.5113 -5.2623 3 524.1006387 89502 303644520 634519 a-Alanine, conf. I
348947.7535 0.9067 -5.2364 3 237.8381297 89502 303491733 481633 a-Alanine, conf. I
349049.6385 2.0734 -4.6776 3 399.3534381 89502 303632142 622241 a-Alanine, conf. I
349109.2554 2.3268 -5.6568 3 686.8143495 89502 303823053 813150 a-Alanine, conf. I
349122.5051 0.5249 -5.2292 3 517.2162387 89502 303644420 634419 a-Alanine, conf. I
349122.5051 0.5249 -5.2292 3 517.2162387 89502 303644421 634420 a-Alanine, conf. I
349162.4804 0.6382 -5.2775 3 220.5910291 89502 303481335 471235 a-Alanine, conf. I
349177.0746 0.6353 -5.2775 3 220.5912291 89502 303481435 471335 a-Alanine, conf. I
349210.4426 1.2403 -5.0426 3 155.2998243 89502 303401327 391228 a-Alanine, conf. I
349229.6562 0.4573 -4.7606 3 441.7726441 89502 30373 667 72 666 a-Alanine, conf. I
349229.6562 0.4573 -4.1772 3 441.7726441 89502 30373 667 72 766 a-Alanine, conf. I
349229.6562 0.4573 -4.1772 3 441.7726441 89502 30373 767 72 666 a-Alanine, conf. I
349229.6562 0.4573 -4.7606 3 441.7726441 89502 30373 767 72 766 a-Alanine, conf. I
349290.0601 0.8926 -4.5793 3 384.6710375 89502 303622142 612041 a-Alanine, conf. I
349313.1788 0.8840 -5.0860 3 145.8592237 89502 303391227 381128 a-Alanine, conf. I
349318.0608 0.9991 -4.8814 3 427.1313381 89502 303633034 623033 a-Alanine, conf. I
349318.1127 0.9991 -4.8814 3 427.1313381 89502 303633033 623032 a-Alanine, conf. I
349341.9963 0.5427 -5.1975 3 510.4966387 89502 303644321 634320 a-Alanine, conf. I
349341.9963 0.5427 -5.1975 3 510.4966387 89502 303644322 634321 a-Alanine, conf. I
349429.1505 1.3279 -4.7890 3 396.5189375 89502 303622538 612537 a-Alanine, conf. I
349430.8545 0.5940 -4.7566 3 387.6977375 89502 303622241 612240 a-Alanine, conf. I
349498.6645 0.0751 -5.1148 3 197.9862231 89502 3033831 7 3730 7 a-Alanine, conf. I
349498.6645 0.0751 -3.9878 3 197.9862231 89502 3033831 7 3730 8 a-Alanine, conf. I
349498.6645 0.0751 -3.9878 3 197.9862231 89502 3033831 8 3730 7 a-Alanine, conf. I
349498.6645 0.0751 -5.1148 3 197.9862231 89502 3033831 8 3730 8 a-Alanine, conf. I
349546.3083 0.4320 -4.3783 3 415.9905399 89502 303661650 651749 a-Alanine, conf. I
349546.3209 0.4320 -4.7795 3 415.9905399 89502 303661750 651749 a-Alanine, conf. I
349546.3374 0.4320 -4.7795 3 415.9905399 89502 303661650 651649 a-Alanine, conf. I
349546.3501 0.4320 -4.3783 3 415.9905399 89502 303661750 651649 a-Alanine, conf. I
349563.5302 1.7027 -4.7171 3 365.7196363 89502 303602238 592237 a-Alanine, conf. I
349579.7887 0.5644 -5.1671 3 503.9427387 89502 303644222 634221 a-Alanine, conf. I
349579.7887 0.5644 -5.1671 3 503.9427387 89502 303644223 634222 a-Alanine, conf. I
349684.9206 7.2631 -5.7259 3 765.7971519 89502 303863453 853550 a-Alanine, conf. I
349689.9532 0.6304 -4.5707 3 396.3221381 89502 303632043 622142 a-Alanine, conf. I
349713.7314 0.4206 -4.7721 3 437.5475429 89502 30371 962 70 961 a-Alanine, conf. I
349713.7314 0.4206 -4.2256 3 437.5475429 89502 30371 962 701061 a-Alanine, conf. I
349713.7314 0.4206 -4.2256 3 437.5475429 89502 303711062 70 961 a-Alanine, conf. I
349713.7314 0.4206 -4.7721 3 437.5475429 89502 303711062 701061 a-Alanine, conf. I
349831.7483 0.3105 -5.4107 3 195.2361285 89502 30347 839 46 739 a-Alanine, conf. I
349831.7483 0.3105 -5.4107 3 195.2361285 89502 30347 939 46 839 a-Alanine, conf. I
349837.9272 0.5895 -5.1380 3 497.5554387 89502 303644123 634122 a-Alanine, conf. I
349837.9272 0.5895 -5.1380 3 497.5554387 89502 303644124 634123 a-Alanine, conf. I
349897.4606 0.7291 -4.7423 3 448.2468459 89502 30376 274 75 273 a-Alanine, conf. I
349897.4606 0.7291 -4.1209 3 448.2468459 89502 30376 274 75 373 a-Alanine, conf. I
349897.4606 0.7291 -4.1209 3 448.2468459 89502 30376 374 75 273 a-Alanine, conf. I
349897.4606 0.7291 -4.7423 3 448.2468459 89502 30376 374 75 373 a-Alanine, conf. I
350118.7859 0.6178 -5.1100 3 491.3358387 89502 303644024 634023 a-Alanine, conf. I
350118.7859 0.6178 -5.1100 3 491.3358387 89502 303644025 634024 a-Alanine, conf. I
350169.0983 0.4323 -4.7795 3 431.3497417 89502 303691257 681256 a-Alanine, conf. I
350169.0983 0.4323 -4.2812 3 431.3497417 89502 303691257 681356 a-Alanine, conf. I
350169.0983 0.4323 -4.2812 3 431.3497417 89502 303691357 681256 a-Alanine, conf. I
350169.0983 0.4323 -4.7795 3 431.3497417 89502 303691357 681356 a-Alanine, conf. I
350197.0583 0.0770 -5.1235 3 200.3147237 89502 3033930 9 3829 9 a-Alanine, conf. I
350197.0583 0.0770 -4.0102 3 200.3147237 89502 3033930 9 382910 a-Alanine, conf. I
350197.0583 0.0770 -4.0102 3 200.3147237 89502 303393010 3829 9 a-Alanine, conf. I
350197.0583 0.0770 -5.1235 3 200.3147237 89502 303393010 382910 a-Alanine, conf. I
350209.9198 1.0707 -4.8620 3 422.8875381 89502 303632935 622934 a-Alanine, conf. I
350210.4625 1.0710 -4.8620 3 422.8875381 89502 303632934 622933 a-Alanine, conf. I
350236.7162 1.6306 -4.7869 3 396.5477375 89502 303622537 612536 a-Alanine, conf. I
350240.9658 5.9633 -5.7305 3 702.4329501 89502 303833054 823151 a-Alanine, conf. I
350425.1425 0.6490 -5.0831 3 485.2851387 89502 303643925 633924 a-Alanine, conf. I
350425.1425 0.6490 -5.0831 3 485.2851387 89502 303643926 633925 a-Alanine, conf. I
350435.7938 0.5033 -5.2181 3 254.6297303 89502 303502030 491930 a-Alanine, conf. I
350535.8114 0.5035 -4.7583 3 446.6136447 89502 30374 569 73 568 a-Alanine, conf. I
350535.8114 0.5035 -4.1642 3 446.6136447 89502 30374 569 73 668 a-Alanine, conf. I
350535.8114 0.5035 -4.1642 3 446.6136447 89502 30374 669 73 568 a-Alanine, conf. I
350535.8114 0.5035 -4.7583 3 446.6136447 89502 30374 669 73 668 a-Alanine, conf. I
350602.1307 0.4283 -4.7634 3 396.3221381 89502 303632143 622142 a-Alanine, conf. I
350664.9002 8.2725 -5.7232 3 765.7947519 89502 303863452 853551 a-Alanine, conf. I
350751.6316 0.4386 -4.3501 3 423.0964405 89502 303671552 661651 a-Alanine, conf. I
350751.6320 0.4386 -4.7821 3 423.0964405 89502 303671652 661651 a-Alanine, conf. I
350751.6325 0.4386 -4.7821 3 423.0964405 89502 303671552 661551 a-Alanine, conf. I
350751.6329 0.4386 -4.3501 3 423.0964405 89502 303671652 661551 a-Alanine, conf. I
350760.2734 0.6831 -5.0572 3 479.4049387 89502 303643826 633825 a-Alanine, conf. I
350760.2734 0.6831 -5.0572 3 479.4049387 89502 303643827 633826 a-Alanine, conf. I
350805.0259 0.7480 -5.0837 3 145.8577237 89502 303391327 381028 a-Alanine, conf. I
350820.9168 1.2540 -4.7726 3 393.4155375 89502 303622439 612438 a-Alanine, conf. I
350873.8021 0.0828 -5.1322 3 203.0030243 89502 303402911 392811 a-Alanine, conf. I
350873.8021 0.0828 -4.0341 3 203.0030243 89502 303402911 392812 a-Alanine, conf. I
350873.8021 0.0828 -4.0341 3 203.0030243 89502 303402912 392811 a-Alanine, conf. I
350873.8021 0.0828 -5.1322 3 203.0030243 89502 303402912 392812 a-Alanine, conf. I
350959.3072 0.4212 -5.2866 3 124.8993225 89502 30337 928 36 829 a-Alanine, conf. I
350968.1323 0.4204 -5.2866 3 124.8993225 89502 303371028 36 729 a-Alanine, conf. I
351028.4323 0.3008 -5.4529 3 191.3871285 89502 30347 740 46 640 a-Alanine, conf. I
351028.4323 0.3008 -5.4529 3 191.3871285 89502 30347 840 46 740 a-Alanine, conf. I
351033.8224 10.2531 -5.6198 3 709.8919501 89502 303833251 823350 a-Alanine, conf. I
351052.1724 0.4289 -4.7709 3 443.0428435 89502 30372 864 71 863 a-Alanine, conf. I
351052.1724 0.4289 -4.2107 3 443.0428435 89502 30372 864 71 963 a-Alanine, conf. I
351052.1724 0.4289 -4.2107 3 443.0428435 89502 30372 964 71 863 a-Alanine, conf. I
351052.1724 0.4289 -4.7709 3 443.0428435 89502 30372 964 71 963 a-Alanine, conf. I
351065.5098 0.4298 -4.4972 3 404.6260387 89502 303641945 632044 a-Alanine, conf. I
351073.2757 0.9512 -4.7610 3 390.5207375 89502 303622340 612339 a-Alanine, conf. I
351084.4042 0.1225 -5.8227 3 108.7965201 89502 303331518 321221 a-Alanine, conf. I
351128.0811 0.7198 -5.0323 3 473.6968387 89502 303643727 633726 a-Alanine, conf. I
351128.0811 0.7198 -5.0323 3 473.6968387 89502 303643728 633727 a-Alanine, conf. I
351131.2727 0.4253 -4.7713 3 404.6260387 89502 303642045 632044 a-Alanine, conf. I
351131.6692 0.8520 -4.7387 3 452.2321465 89502 30377 176 76 175 a-Alanine, conf. I
351131.6692 0.8520 -4.1093 3 452.2321465 89502 30377 176 76 275 a-Alanine, conf. I
351131.6692 0.8520 -4.1093 3 452.2321465 89502 30377 276 76 175 a-Alanine, conf. I
351131.6692 0.8520 -4.7387 3 452.2321465 89502 30377 276 76 275 a-Alanine, conf. I
351197.4068 0.4231 -4.7711 3 404.6216387 89502 303641945 631944 a-Alanine, conf. I
351206.7164 1.2988 -5.2153 3 272.5795315 89502 303521933 511833 a-Alanine, conf. I
351262.1342 1.1554 -4.8431 3 418.8553381 89502 303632836 622835 a-Alanine, conf. I
351263.1697 0.4222 -4.4967 3 404.6216387 89502 303642045 631944 a-Alanine, conf. I
351267.1270 1.1579 -4.8431 3 418.8554381 89502 303632835 622834 a-Alanine, conf. I
351290.9290 0.5453 -5.2956 3 217.4174291 89502 303481236 471136 a-Alanine, conf. I
351292.3170 0.5451 -5.2956 3 217.4174291 89502 303481336 471236 a-Alanine, conf. I
351378.6066 0.4260 -4.7612 3 396.2657381 89502 303632043 622042 a-Alanine, conf. I
351385.9835 0.9462 -5.2481 3 235.1394297 89502 303491534 481434 a-Alanine, conf. I
351472.8421 0.4551 -4.7277 3 375.5212369 89502 303612140 602139 a-Alanine, conf. I
351476.1813 0.5267 -5.2535 3 151.9216237 89502 303391624 381325 a-Alanine, conf. I
351492.5368 0.7426 -5.3833 3 144.5917231 89502 303381623 371324 a-Alanine, conf. I
351507.3299 0.4329 -4.7797 3 437.5136423 89502 303701159 691158 a-Alanine, conf. I
351507.3299 0.4329 -4.2630 3 437.5136423 89502 303701159 691258 a-Alanine, conf. I
351507.3299 0.4329 -4.2630 3 437.5136423 89502 303701259 691158 a-Alanine, conf. I
351507.3299 0.4329 -4.7797 3 437.5136423 89502 303701259 691258 a-Alanine, conf. I
351519.4077 0.0906 -5.1409 3 206.0561249 89502 303412813 402713 a-Alanine, conf. I
351519.4077 0.0906 -4.0599 3 206.0561249 89502 303412813 402714 a-Alanine, conf. I
351519.4077 0.0906 -4.0599 3 206.0561249 89502 303412814 402713 a-Alanine, conf. I
351519.4077 0.0906 -5.1409 3 206.0561249 89502 303412814 402714 a-Alanine, conf. I
351533.2649 0.7594 -5.0083 3 468.1628387 89502 303643628 633627 a-Alanine, conf. I
351533.2649 0.7594 -5.0083 3 468.1628387 89502 303643629 633628 a-Alanine, conf. I
351713.8198 0.2463 -5.2099 3 245.0288297 89502 303492030 481930 a-Alanine, conf. I
351824.9880 0.5690 -4.7558 3 451.2518453 89502 30375 471 74 470 a-Alanine, conf. I
351824.9880 0.5690 -4.1517 3 451.2518453 89502 30375 471 74 570 a-Alanine, conf. I
351824.9880 0.5690 -4.1517 3 451.2518453 89502 30375 571 74 470 a-Alanine, conf. I
351824.9880 0.5690 -4.7558 3 451.2518453 89502 30375 571 74 570 a-Alanine, conf. I
351847.0338 0.8605 -5.2470 3 235.1449297 89502 303491634 481534 a-Alanine, conf. I
351878.1382 0.1531 -4.3669 3 238.5575291 89502 303482128 472027 a-Alanine, conf. I
351879.9465 0.4340 -4.4479 3 412.5908393 89502 303651847 641946 a-Alanine, conf. I
351883.5326 0.4339 -4.7775 3 412.5908393 89502 303651947 641946 a-Alanine, conf. I
351887.5737 0.4338 -4.7775 3 412.5905393 89502 303651847 641846 a-Alanine, conf. I
351891.1597 0.4337 -4.4478 3 412.5905393 89502 303651947 641846 a-Alanine, conf. I
351981.5569 0.8019 -4.9852 3 462.8053387 89502 303643529 633528 a-Alanine, conf. I
351981.5569 0.8019 -4.9852 3 462.8053387 89502 303643530 633529 a-Alanine, conf. I
352018.4749 0.4437 -4.3258 3 429.9653411 89502 303681454 671553 a-Alanine, conf. I
352018.4749 0.4437 -4.7840 3 429.9653411 89502 303681554 671553 a-Alanine, conf. I
352018.4750 0.4437 -4.7840 3 429.9653411 89502 303681454 671453 a-Alanine, conf. I
352018.4750 0.4437 -4.3258 3 429.9653411 89502 303681554 671453 a-Alanine, conf. I
352019.8923 0.1300 -5.0780 3 198.3632213 89502 3033535 0 3434 0 a-Alanine, conf. I
352019.8923 0.1300 -3.9127 3 198.3632213 89502 3033535 0 3434 1 a-Alanine, conf. I
352019.8923 0.1300 -3.9127 3 198.3632213 89502 3033535 1 3434 0 a-Alanine, conf. I
352019.8923 0.1300 -5.0780 3 198.3632213 89502 3033535 1 3434 1 a-Alanine, conf. I
352038.1284 0.1460 -5.2026 3 238.5575291 89502 303482127 472027 a-Alanine, conf. I
352086.6463 7.0213 -5.6820 3 745.4440513 89502 303853353 843450 a-Alanine, conf. I
352120.2940 0.0994 -5.1495 3 209.4803255 89502 303422715 412615 a-Alanine, conf. I
352120.2940 0.0994 -4.0880 3 209.4803255 89502 303422715 412616 a-Alanine, conf. I
352120.2940 0.0994 -4.0880 3 209.4803255 89502 303422716 412615 a-Alanine, conf. I
352120.2940 0.0994 -5.1495 3 209.4803255 89502 303422716 412616 a-Alanine, conf. I
352124.3642 0.3137 -5.5040 3 187.3974285 89502 30347 641 46 541 a-Alanine, conf. I
352124.3642 0.3137 -5.5040 3 187.3974285 89502 30347 741 46 641 a-Alanine, conf. I
352146.8699 3.4361 -4.6657 3 328.3534345 89502 303572137 562036 a-Alanine, conf. I
352290.7841 0.6206 -4.5634 3 396.2657381 89502 303632143 622042 a-Alanine, conf. I
352299.8425 0.2760 -5.4879 3 113.1478219 89502 30336 729 35 630 a-Alanine, conf. I
352299.9398 0.2760 -5.4879 3 113.1478219 89502 30336 829 35 530 a-Alanine, conf. I
352308.9229 0.2448 -5.7801 3 101.3960213 89502 30335 530 34 431 a-Alanine, conf. I
352308.9234 0.2448 -5.7801 3 101.3960213 89502 30335 630 34 331 a-Alanine, conf. I
352342.8967 0.9943 -4.7349 3 456.0122471 89502 30378 078 77 077 a-Alanine, conf. I
352342.8967 0.9943 -4.0981 3 456.0122471 89502 30378 078 77 177 a-Alanine, conf. I
352342.8967 0.9943 -4.0981 3 456.0122471 89502 30378 178 77 077 a-Alanine, conf. I
352342.8967 0.9943 -4.7349 3 456.0122471 89502 30378 178 77 177 a-Alanine, conf. I
352381.1655 0.4467 -4.7695 3 448.3340441 89502 30373 766 72 765 a-Alanine, conf. I
352381.1655 0.4467 -4.1967 3 448.3340441 89502 30373 766 72 865 a-Alanine, conf. I
352381.1655 0.4467 -4.1967 3 448.3340441 89502 30373 866 72 765 a-Alanine, conf. I
352381.1655 0.4467 -4.7695 3 448.3340441 89502 30373 866 72 865 a-Alanine, conf. I
352436.5482 0.1581 -5.2017 3 238.5388291 89502 303482128 472028 a-Alanine, conf. I
352443.0443 2.3513 -4.7388 3 379.3974369 89502 303612338 602337 a-Alanine, conf. I
352480.0545 0.8477 -4.9628 3 457.6268387 89502 303643430 633429 a-Alanine, conf. I
352480.0545 0.8477 -4.9628 3 457.6268387 89502 303643431 633430 a-Alanine, conf. I
352524.1068 1.2558 -4.8245 3 415.0477381 89502 303632737 622736 a-Alanine, conf. I
352563.9195 1.2747 -4.8244 3 415.0489381 89502 303632736 622735 a-Alanine, conf. I
352596.5384 0.1754 -4.3655 3 238.5388291 89502 303482127 472028 a-Alanine, conf. I
352656.6269 0.1088 -4.1189 3 213.2836261 89502 303432618 422517 a-Alanine, conf. I
352656.6270 0.1088 -5.1582 3 213.2836261 89502 303432617 422517 a-Alanine, conf. I
352656.6270 0.1088 -4.1189 3 213.2836261 89502 303432617 422518 a-Alanine, conf. I
352656.6270 0.1088 -5.1582 3 213.2836261 89502 303432618 422518 a-Alanine, conf. I
352752.1098 0.1057 -5.0864 3 199.4715219 89502 3033634 2 3533 2 a-Alanine, conf. I
352752.1098 0.1057 -3.9307 3 199.4715219 89502 3033634 2 3533 3 a-Alanine, conf. I
352752.1098 0.1057 -3.9307 3 199.4715219 89502 3033634 3 3533 2 a-Alanine, conf. I
352752.1098 0.1057 -5.0864 3 199.4715219 89502 3033634 3 3533 3 a-Alanine, conf. I
352815.6509 0.7095 -5.8088 3 630.9366393 89502 3036557 8 6457 7 a-Alanine, conf. I
352815.6509 0.7095 -5.8088 3 630.9366393 89502 3036557 9 6457 8 a-Alanine, conf. I
352833.6706 0.5117 -5.2177 3 264.2784309 89502 303512031 501931 a-Alanine, conf. I
352850.3135 0.4338 -4.7795 3 443.4670429 89502 303711061 701060 a-Alanine, conf. I
352850.3135 0.4338 -4.2463 3 443.4670429 89502 303711061 701160 a-Alanine, conf. I
352850.3135 0.4338 -4.2463 3 443.4670429 89502 303711161 701060 a-Alanine, conf. I
352850.3135 0.4338 -4.7795 3 443.4670429 89502 303711161 701160 a-Alanine, conf. I
352868.3027 0.4420 -4.4096 3 420.2551399 89502 303661749 651848 a-Alanine, conf. I
352868.4576 0.4420 -4.7823 3 420.2551399 89502 303661849 651848 a-Alanine, conf. I
352868.6484 0.4420 -4.7823 3 420.2550399 89502 303661749 651748 a-Alanine, conf. I
352868.8033 0.4420 -4.4096 3 420.2550399 89502 303661849 651748 a-Alanine, conf. I
352906.4452 0.6727 -5.7426 3 622.1204393 89502 3036556 9 6456 8 a-Alanine, conf. I
352906.4452 0.6727 -5.7426 3 622.1204393 89502 303655610 6456 9 a-Alanine, conf. I
353003.6142 0.6390 -5.6822 3 613.4636393 89502 303655510 6455 9 a-Alanine, conf. I
353003.6142 0.6390 -5.6822 3 613.4636393 89502 303655511 645510 a-Alanine, conf. I
353037.7066 0.8973 -4.9413 3 452.6309387 89502 303643332 633331 a-Alanine, conf. I
353037.7067 0.8973 -4.9413 3 452.6309387 89502 303643331 633330 a-Alanine, conf. I
353076.6586 7.5717 -5.8287 3 823.9645537 89502 303893654 883751 a-Alanine, conf. I
353095.2748 0.6548 -4.7530 3 455.6869459 89502 30376 373 75 372 a-Alanine, conf. I
353095.2748 0.6548 -4.1398 3 455.6869459 89502 30376 373 75 472 a-Alanine, conf. I
353095.2748 0.6548 -4.1398 3 455.6869459 89502 30376 473 75 372 a-Alanine, conf. I
353095.2748 0.6548 -4.7530 3 455.6869459 89502 30376 473 75 472 a-Alanine, conf. I
353098.5856 0.1188 -4.1533 3 217.4767267 89502 303442520 432419 a-Alanine, conf. I
353098.5857 0.1188 -5.1669 3 217.4767267 89502 303442519 432419 a-Alanine, conf. I
353098.5862 0.1188 -5.1669 3 217.4767267 89502 303442520 432420 a-Alanine, conf. I
353098.5863 0.1188 -4.1533 3 217.4767267 89502 303442519 432420 a-Alanine, conf. I
353107.6291 0.6089 -5.6265 3 604.9664393 89502 303655411 645410 a-Alanine, conf. I
353107.6291 0.6089 -5.6265 3 604.9664393 89502 303655412 645411 a-Alanine, conf. I
353120.3268 0.4682 -5.3172 3 214.0724291 89502 303481137 471037 a-Alanine, conf. I
353120.4371 0.4682 -5.3172 3 214.0724291 89502 303481237 471137 a-Alanine, conf. I
353134.7784 0.3463 -5.5674 3 183.2702285 89502 30347 542 46 442 a-Alanine, conf. I
353134.7784 0.3463 -5.5674 3 183.2702285 89502 30347 642 46 542 a-Alanine, conf. I
353160.6101 0.8457 -5.5186 3 137.4084225 89502 303371622 361323 a-Alanine, conf. I
353180.3588 0.1461 -4.2935 3 232.5699285 89502 303472226 462125 a-Alanine, conf. I
353187.9815 0.1467 -5.1929 3 232.5699285 89502 303472225 462125 a-Alanine, conf. I
353211.3347 0.1483 -5.1928 3 232.5689285 89502 303472226 462126 a-Alanine, conf. I
353218.9574 0.1489 -4.2934 3 232.5689285 89502 303472225 462126 a-Alanine, conf. I
353219.0095 0.5827 -5.5747 3 596.6293393 89502 303655312 645311 a-Alanine, conf. I
353219.0095 0.5827 -5.5747 3 596.6293393 89502 303655313 645312 a-Alanine, conf. I
353248.6441 7.7840 -5.8282 3 823.9641537 89502 303893653 883752 a-Alanine, conf. I
353323.1639 0.4471 -4.7854 3 436.6073417 89502 303691356 681355 a-Alanine, conf. I
353323.1639 0.4471 -4.3043 3 436.6073417 89502 303691356 681455 a-Alanine, conf. I
353323.1639 0.4471 -4.3043 3 436.6073417 89502 303691456 681355 a-Alanine, conf. I
353323.1639 0.4471 -4.7854 3 436.6073417 89502 303691456 681455 a-Alanine, conf. I
353338.3299 0.5607 -5.5264 3 588.4524393 89502 303655213 645212 a-Alanine, conf. I
353338.3299 0.5607 -5.5264 3 588.4524393 89502 303655214 645213 a-Alanine, conf. I
353399.3925 0.1294 -4.1924 3 222.0737273 89502 303452422 442321 a-Alanine, conf. I
353399.3989 0.1294 -5.1755 3 222.0737273 89502 303452421 442321 a-Alanine, conf. I
353399.4252 0.1294 -5.1755 3 222.0737273 89502 303452422 442322 a-Alanine, conf. I
353399.4315 0.1294 -4.1924 3 222.0737273 89502 303452421 442322 a-Alanine, conf. I
353466.2269 0.5434 -5.4809 3 580.4363393 89502 303655114 645113 a-Alanine, conf. I
353466.2269 0.5434 -5.4809 3 580.4363393 89502 303655115 645114 a-Alanine, conf. I
353479.0025 0.0888 -5.0950 3 200.9285225 89502 3033733 4 3632 4 a-Alanine, conf. I
353479.0025 0.0888 -3.9497 3 200.9285225 89502 3033733 4 3632 5 a-Alanine, conf. I
353479.0025 0.0888 -3.9497 3 200.9285225 89502 3033733 5 3632 4 a-Alanine, conf. I
353479.0025 0.0888 -5.0950 3 200.9285225 89502 3033733 5 3632 5 a-Alanine, conf. I
353480.3364 0.1396 -4.2380 3 227.0946279 89502 303462324 452223 a-Alanine, conf. I
353480.5947 0.1397 -5.1841 3 227.0946279 89502 303462323 452223 a-Alanine, conf. I
353481.5252 0.1397 -5.1841 3 227.0946279 89502 303462324 452224 a-Alanine, conf. I
353481.7835 0.1398 -4.2380 3 227.0946279 89502 303462323 452224 a-Alanine, conf. I
353603.4086 0.5309 -5.4380 3 572.5812393 89502 303655015 645014 a-Alanine, conf. I
353603.4086 0.5309 -5.4380 3 572.5812393 89502 303655016 645015 a-Alanine, conf. I
353666.0447 0.9517 -4.9204 3 447.8214387 89502 303643233 633232 a-Alanine, conf. I
353666.0456 0.9517 -4.9204 3 447.8214387 89502 303643232 633231 a-Alanine, conf. I
353674.5609 0.2451 -5.1451 3 159.3770243 89502 303401625 391326 a-Alanine, conf. I
353697.5303 0.4781 -4.7678 3 453.4217447 89502 30374 668 73 667 a-Alanine, conf. I
353697.5303 0.4781 -4.1835 3 453.4217447 89502 30374 668 73 767 a-Alanine, conf. I
353697.5303 0.4781 -4.1835 3 453.4217447 89502 30374 768 73 667 a-Alanine, conf. I
353697.5303 0.4781 -4.7678 3 453.4217447 89502 30374 768 73 767 a-Alanine, conf. I
353750.6642 0.5235 -5.3974 3 564.8877393 89502 303654916 644915 a-Alanine, conf. I
353750.6642 0.5235 -5.3974 3 564.8877393 89502 303654917 644916 a-Alanine, conf. I
353870.3771 3.6261 -5.6294 3 705.9165501 89502 303833153 823250 a-Alanine, conf. I
353908.8764 0.5214 -5.3588 3 557.3562393 89502 303654817 644816 a-Alanine, conf. I
353908.8764 0.5214 -5.3588 3 557.3562393 89502 303654818 644817 a-Alanine, conf. I
353961.4256 0.6482 -4.4738 3 245.0288297 89502 303492029 481930 a-Alanine, conf. I
353965.9024 6.0246 -5.6461 3 725.4754507 89502 303843253 833350 a-Alanine, conf. I
353966.7732 0.8270 -5.0380 3 155.2934243 89502 303401427 391128 a-Alanine, conf. I
353998.8927 0.4495 -4.3783 3 427.6501405 89502 303671651 661750 a-Alanine, conf. I
353998.8981 0.4495 -4.7859 3 427.6501405 89502 303671751 661750 a-Alanine, conf. I
353998.9053 0.4495 -4.7859 3 427.6501405 89502 303671651 661650 a-Alanine, conf. I
353998.9107 0.4495 -4.3783 3 427.6501405 89502 303671751 661650 a-Alanine, conf. I
354029.3229 1.3599 -4.8061 3 411.4820381 89502 303632638 622637 a-Alanine, conf. I
354053.4048 0.6410 -5.2165 3 251.8996303 89502 303501932 491832 a-Alanine, conf. I
354069.9617 6.3841 -4.8965 3 441.3880399 89502 303662343 652442 a-Alanine, conf. I
354071.6904 0.3936 -5.6485 3 179.0081285 89502 30347 443 46 343 a-Alanine, conf. I
354071.6904 0.3936 -5.6485 3 179.0081285 89502 30347 543 46 443 a-Alanine, conf. I
354079.0362 0.5243 -5.3221 3 549.9872393 89502 303654718 644717 a-Alanine, conf. I
354079.0362 0.5243 -5.3221 3 549.9872393 89502 303654719 644718 a-Alanine, conf. I
354103.4726 0.5351 -4.7620 3 399.3534381 89502 303632242 622241 a-Alanine, conf. I
354178.1679 2.7751 -4.8199 3 211.6047279 89502 303461729 451630 a-Alanine, conf. I
354191.7581 0.4372 -4.7790 3 449.2127435 89502 30372 963 71 962 a-Alanine, conf. I
354191.7581 0.4372 -4.2309 3 449.2127435 89502 30372 963 711062 a-Alanine, conf. I
354191.7581 0.4372 -4.2309 3 449.2127435 89502 303721063 71 962 a-Alanine, conf. I
354191.7581 0.4372 -4.7790 3 449.2127435 89502 303721063 711062 a-Alanine, conf. I
354197.7703 0.0801 -5.1036 3 202.7365231 89502 3033832 6 3731 6 a-Alanine, conf. I
354197.7703 0.0801 -3.9698 3 202.7365231 89502 3033832 6 3731 7 a-Alanine, conf. I
354197.7703 0.0801 -3.9698 3 202.7365231 89502 3033832 7 3731 6 a-Alanine, conf. I
354197.7703 0.0801 -5.1036 3 202.7365231 89502 3033832 7 3731 7 a-Alanine, conf. I
354262.2605 0.5323 -5.2870 3 542.7813393 89502 303654619 644618 a-Alanine, conf. I
354262.2605 0.5323 -5.2870 3 542.7813393 89502 303654620 644619 a-Alanine, conf. I
354297.7500 1.4748 -4.8055 3 411.4907381 89502 303632637 622636 a-Alanine, conf. I
354345.0182 0.7612 -4.7500 3 459.9181465 89502 30377 275 76 274 a-Alanine, conf. I
354345.0182 0.7612 -4.1283 3 459.9181465 89502 30377 275 76 374 a-Alanine, conf. I
354345.0182 0.7612 -4.1283 3 459.9181465 89502 30377 375 76 274 a-Alanine, conf. I
354345.0182 0.7612 -4.7500 3 459.9181465 89502 30377 375 76 374 a-Alanine, conf. I
354373.5815 2.2809 -4.7631 3 393.5754375 89502 303622438 612437 a-Alanine, conf. I
354380.3338 1.0120 -4.9002 3 443.2034387 89502 303643134 633133 a-Alanine, conf. I
354380.3452 1.0121 -4.9002 3 443.2034387 89502 303643133 633132 a-Alanine, conf. I
354390.4855 0.9090 -5.2250 3 249.4778303 89502 303501833 491733 a-Alanine, conf. I
354436.3992 0.5218 -4.5540 3 408.0169387 89502 303642044 632143 a-Alanine, conf. I
354459.8127 0.5450 -5.2535 3 535.7393393 89502 303654520 644519 a-Alanine, conf. I
354459.8127 0.5450 -5.2535 3 535.7393393 89502 303654521 644520 a-Alanine, conf. I
354515.9099 0.6031 -4.7398 3 387.2451375 89502 303622141 612140 a-Alanine, conf. I
354563.8661 0.7667 -5.2598 3 232.2378297 89502 303491435 481335 a-Alanine, conf. I
354625.8193 0.7542 -5.2596 3 232.2385297 89502 303491535 481435 a-Alanine, conf. I
354650.0087 0.4487 -4.7863 3 443.0300423 89502 303701258 691257 a-Alanine, conf. I
354650.0087 0.4487 -4.2851 3 443.0300423 89502 303701258 691357 a-Alanine, conf. I
354650.0087 0.4487 -4.2851 3 443.0300423 89502 303701358 691257 a-Alanine, conf. I
354650.0087 0.4487 -4.7863 3 443.0300423 89502 303701358 691357 a-Alanine, conf. I
354673.1290 0.5620 -5.2215 3 528.8617393 89502 303654421 644420 a-Alanine, conf. I
354673.1290 0.5620 -5.2215 3 528.8617393 89502 303654422 644421 a-Alanine, conf. I
354729.7472 0.4047 -5.3426 3 210.5659291 89502 303481038 47 938 a-Alanine, conf. I
354729.7546 0.4047 -5.3426 3 210.5659291 89502 303481138 471038 a-Alanine, conf. I
354831.9560 2.2268 -4.9636 3 182.4953261 89502 303431528 421429 a-Alanine, conf. I
354903.8502 0.5830 -5.1907 3 522.1494393 89502 303654322 644321 a-Alanine, conf. I
354903.8502 0.5830 -5.1907 3 522.1494393 89502 303654323 644322 a-Alanine, conf. I
354904.5235 0.0787 -5.1123 3 204.8984237 89502 3033931 8 3830 8 a-Alanine, conf. I
354904.5235 0.0787 -3.9911 3 204.8984237 89502 3033931 8 3830 9 a-Alanine, conf. I
354904.5235 0.0787 -3.9911 3 204.8984237 89502 3033931 9 3830 8 a-Alanine, conf. I
354904.5235 0.0787 -5.1123 3 204.8984237 89502 3033931 9 3830 9 a-Alanine, conf. I
354918.1825 0.4385 -4.7701 3 408.0169387 89502 303642144 632143 a-Alanine, conf. I
354944.7714 0.4510 -5.7575 3 174.6132285 89502 30347 344 46 244 a-Alanine, conf. I
354944.7714 0.4510 -5.7575 3 174.6132285 89502 30347 444 46 344 a-Alanine, conf. I
354998.6594 0.5268 -4.7658 3 458.3062453 89502 30375 570 74 569 a-Alanine, conf. I
354998.6594 0.5268 -4.1709 3 458.3062453 89502 30375 570 74 669 a-Alanine, conf. I
354998.6594 0.5268 -4.1709 3 458.3062453 89502 30375 670 74 569 a-Alanine, conf. I
354998.6594 0.5268 -4.7658 3 458.3062453 89502 30375 670 74 669 a-Alanine, conf. I
355070.0954 9.7798 -5.6736 3 745.4356513 89502 303853352 843451 a-Alanine, conf. I
355097.8789 0.5329 -5.2073 3 134.0129231 89502 303381028 37 929 a-Alanine, conf. I
355141.9460 0.5287 -5.2072 3 134.0129231 89502 303381128 37 829 a-Alanine, conf. I
355153.8611 0.6077 -5.1612 3 515.6034393 89502 303654223 644222 a-Alanine, conf. I
355153.8611 0.6077 -5.1612 3 515.6034393 89502 303654224 644223 a-Alanine, conf. I
355201.4534 1.0804 -4.8805 3 438.7833387 89502 303643035 633034 a-Alanine, conf. I
355201.5807 1.0805 -4.8805 3 438.7833387 89502 303643034 633033 a-Alanine, conf. I
355218.3860 0.4560 -4.3516 3 434.7962411 89502 303681553 671652 a-Alanine, conf. I
355218.3861 0.4560 -4.7887 3 434.7962411 89502 303681653 671652 a-Alanine, conf. I
355218.3864 0.4560 -4.7887 3 434.7962411 89502 303681553 671552 a-Alanine, conf. I
355218.3865 0.4560 -4.3516 3 434.7962411 89502 303681653 671552 a-Alanine, conf. I
355309.1419 7.7022 -5.7800 3 802.7250531 89502 303883554 873651 a-Alanine, conf. I
355330.7612 0.6184 -5.8485 3 113.1662207 89502 303341420 331123 a-Alanine, conf. I
355348.5767 0.4312 -4.7690 3 407.9865387 89502 303642044 632043 a-Alanine, conf. I
355379.5217 1.2383 -5.2376 3 246.8603303 89502 303501634 491534 a-Alanine, conf. I
355425.3397 0.6357 -5.1329 3 509.2247393 89502 303654124 644123 a-Alanine, conf. I
355425.3397 0.6357 -5.1329 3 509.2247393 89502 303654125 644124 a-Alanine, conf. I
355435.0012 0.4448 -4.4899 3 416.3385393 89502 303651946 642045 a-Alanine, conf. I
355467.3172 0.4429 -4.7781 3 416.3385393 89502 303652046 642045 a-Alanine, conf. I
355480.2879 0.3101 -5.2151 3 274.1742315 89502 303522032 511932 a-Alanine, conf. I
355500.7641 0.4418 -4.7780 3 416.3363393 89502 303651946 641945 a-Alanine, conf. I
355526.8449 0.4466 -4.7781 3 454.7527441 89502 30373 865 72 864 a-Alanine, conf. I
355526.8449 0.4466 -4.2165 3 454.7527441 89502 30373 865 72 964 a-Alanine, conf. I
355526.8449 0.4466 -4.2165 3 454.7527441 89502 30373 965 72 864 a-Alanine, conf. I
355526.8449 0.4466 -4.7781 3 454.7527441 89502 30373 965 72 964 a-Alanine, conf. I
355533.0801 0.4409 -4.4896 3 416.3363393 89502 303652046 641945 a-Alanine, conf. I
355572.7638 0.8877 -4.7467 3 463.9446471 89502 30378 177 77 176 a-Alanine, conf. I
355572.7638 0.8877 -4.1172 3 463.9446471 89502 30378 177 77 276 a-Alanine, conf. I
355572.7638 0.8877 -4.1172 3 463.9446471 89502 30378 277 77 176 a-Alanine, conf. I
355572.7638 0.8877 -4.7467 3 463.9446471 89502 30378 277 77 276 a-Alanine, conf. I
355593.8538 0.0827 -5.1210 3 207.4178243 89502 303403010 392910 a-Alanine, conf. I
355593.8538 0.0827 -4.0139 3 207.4178243 89502 303403010 392911 a-Alanine, conf. I
355593.8538 0.0827 -4.0139 3 207.4178243 89502 303403011 392910 a-Alanine, conf. I
355593.8538 0.0827 -5.1210 3 207.4178243 89502 303403011 392911 a-Alanine, conf. I
355646.8358 1.3976 -4.7885 3 408.1746381 89502 303632539 622538 a-Alanine, conf. I
355663.5060 0.8378 -5.6437 3 130.3999219 89502 303361621 351322 a-Alanine, conf. I
355720.5198 1.4007 -4.6403 3 411.1650387 89502 303642143 632242 a-Alanine, conf. I
355720.8213 0.6668 -5.1056 3 503.0145393 89502 303654025 644024 a-Alanine, conf. I
355720.8213 0.6668 -5.1056 3 503.0145393 89502 303654026 644025 a-Alanine, conf. I
355754.4756 1.2467 -4.7170 3 377.3798369 89502 303612239 602238 a-Alanine, conf. I
355830.3600 0.4959 -4.5502 3 407.9865387 89502 303642144 632043 a-Alanine, conf. I
355885.4629 8.3549 -5.7785 3 802.7236531 89502 303883553 873652 a-Alanine, conf. I
355988.0864 0.4492 -4.7867 3 449.2386429 89502 303711160 701159 a-Alanine, conf. I
355988.0864 0.4492 -4.2676 3 449.2386429 89502 303711160 701259 a-Alanine, conf. I
355988.0864 0.4492 -4.2676 3 449.2386429 89502 303711260 701159 a-Alanine, conf. I
355988.0864 0.4492 -4.7867 3 449.2386429 89502 303711260 701259 a-Alanine, conf. I
356043.2788 0.7007 -5.0793 3 496.9740393 89502 303653926 643925 a-Alanine, conf. I
356043.2788 0.7007 -5.0793 3 496.9740393 89502 303653927 643926 a-Alanine, conf. I
356099.7946 0.2119 -4.3908 3 247.5852297 89502 303492129 482028 a-Alanine, conf. I
356158.9629 1.1598 -4.8614 3 434.5692387 89502 303642936 632935 a-Alanine, conf. I
356160.2247 1.1605 -4.8614 3 434.5693387 89502 303642935 632934 a-Alanine, conf. I
356167.4994 0.3566 -5.3724 3 206.9053291 89502 30348 939 47 839 a-Alanine, conf. I
356167.4998 0.3566 -5.3724 3 206.9053291 89502 303481039 47 939 a-Alanine, conf. I
356171.6524 3.3848 -4.6565 3 317.4633339 89502 303562136 552035 a-Alanine, conf. I
356258.2018 0.0898 -5.1297 3 210.2988249 89502 303412912 402812 a-Alanine, conf. I
356258.2018 0.0898 -4.0384 3 210.2988249 89502 303412912 402813 a-Alanine, conf. I
356258.2018 0.0898 -4.0384 3 210.2988249 89502 303412913 402812 a-Alanine, conf. I
356258.2018 0.0898 -5.1297 3 210.2988249 89502 303412913 402813 a-Alanine, conf. I
356277.7034 0.4518 -4.4445 3 424.3283399 89502 303661848 651947 a-Alanine, conf. I
356279.3712 0.4517 -4.7842 3 424.3283399 89502 303661948 651947 a-Alanine, conf. I
356281.2894 0.4517 -4.7842 3 424.3282399 89502 303661848 651847 a-Alanine, conf. I
356282.3692 0.5953 -4.7635 3 462.9874459 89502 30376 472 75 471 a-Alanine, conf. I
356282.3692 0.5953 -4.1589 3 462.9874459 89502 30376 472 75 571 a-Alanine, conf. I
356282.3692 0.5953 -4.1589 3 462.9874459 89502 30376 572 75 471 a-Alanine, conf. I
356282.3692 0.5953 -4.7635 3 462.9874459 89502 30376 572 75 571 a-Alanine, conf. I
356282.9572 0.4517 -4.4445 3 424.3282399 89502 303661948 651847 a-Alanine, conf. I
356394.5788 0.8566 -4.7642 3 402.2312381 89502 303632341 622340 a-Alanine, conf. I
356396.2299 0.7375 -5.0541 3 491.1050393 89502 303653827 643826 a-Alanine, conf. I
356396.2299 0.7375 -5.0541 3 491.1050393 89502 303653828 643827 a-Alanine, conf. I
356445.0258 0.1680 -5.2023 3 247.5852297 89502 303492128 482028 a-Alanine, conf. I
356493.1773 0.4609 -4.7908 3 441.7073417 89502 303691455 681454 a-Alanine, conf. I
356493.1773 0.4609 -4.3284 3 441.7073417 89502 303691455 681554 a-Alanine, conf. I
356493.1773 0.4609 -4.3284 3 441.7073417 89502 303691555 681454 a-Alanine, conf. I
356493.1773 0.4609 -4.7908 3 441.7073417 89502 303691555 681554 a-Alanine, conf. I
356771.1392 1.2321 -4.7734 3 405.1176381 89502 303632440 622439 a-Alanine, conf. I
356777.2130 1.0339 -4.7431 3 467.7651477 89502 30379 079 78 078 a-Alanine, conf. I
356777.2130 1.0339 -4.1063 3 467.7651477 89502 30379 079 78 178 a-Alanine, conf. I
356777.2130 1.0339 -4.1063 3 467.7651477 89502 30379 179 78 078 a-Alanine, conf. I
356777.2130 1.0339 -4.7431 3 467.7651477 89502 30379 179 78 178 a-Alanine, conf. I
356783.8785 0.7770 -5.0297 3 485.4092393 89502 303653728 643727 a-Alanine, conf. I
356783.8785 0.7770 -5.0297 3 485.4092393 89502 303653729 643728 a-Alanine, conf. I
356851.7812 0.4660 -4.7770 3 460.0882447 89502 30374 767 73 766 a-Alanine, conf. I
356851.7812 0.4660 -4.2030 3 460.0882447 89502 30374 767 73 866 a-Alanine, conf. I
356851.7812 0.4660 -4.2030 3 460.0882447 89502 30374 867 73 766 a-Alanine, conf. I
356851.7812 0.4660 -4.7770 3 460.0882447 89502 30374 867 73 866 a-Alanine, conf. I
356869.4177 0.9690 -5.2343 3 246.8813303 89502 303501734 491634 a-Alanine, conf. I
356886.8953 0.0983 -5.1385 3 213.5470255 89502 303422814 412714 a-Alanine, conf. I
356886.8953 0.0983 -4.0649 3 213.5470255 89502 303422814 412715 a-Alanine, conf. I
356886.8953 0.0983 -4.0649 3 213.5470255 89502 303422815 412714 a-Alanine, conf. I
356886.8953 0.0983 -5.1385 3 213.5470255 89502 303422815 412715 a-Alanine, conf. I
356900.6368 0.1682 -5.7753 3 114.9669207 89502 303341519 331222 a-Alanine, conf. I
356903.4298 0.3337 -5.2085 3 254.2733303 89502 303502031 491931 a-Alanine, conf. I
357004.2117 0.6512 -5.2750 3 229.1352297 89502 303491336 481236 a-Alanine, conf. I
357010.9577 0.6498 -5.2749 3 229.1353297 89502 303491436 481336 a-Alanine, conf. I
357098.0332 1.9290 -4.7848 3 408.2304381 89502 303632538 622537 a-Alanine, conf. I
357211.3079 0.8194 -5.0062 3 479.8887393 89502 303653629 643628 a-Alanine, conf. I
357211.3079 0.8194 -5.0062 3 479.8887393 89502 303653630 643629 a-Alanine, conf. I
357243.5348 0.1726 -5.2006 3 247.5471297 89502 303492129 482029 a-Alanine, conf. I
357267.4816 0.3452 -5.3785 3 122.0958225 89502 30337 829 36 730 a-Alanine, conf. I
357268.1318 0.3451 -5.3784 3 122.0958225 89502 30337 929 36 630 a-Alanine, conf. I
357294.9437 1.2544 -4.8427 3 430.5721387 89502 303642837 632836 a-Alanine, conf. I
357301.9998 0.4599 -4.4087 3 432.0255405 89502 303671750 661849 a-Alanine, conf. I
357302.0686 0.4599 -4.7890 3 432.0255405 89502 303671850 661849 a-Alanine, conf. I
357302.1547 0.4599 -4.7890 3 432.0255405 89502 303671750 661749 a-Alanine, conf. I
357302.2235 0.4599 -4.4087 3 432.0255405 89502 303671850 661749 a-Alanine, conf. I
357305.9087 1.2602 -4.8427 3 430.5724387 89502 303642836 632835 a-Alanine, conf. I
357329.4807 0.4503 -4.7868 3 455.2368435 89502 303721062 711061 a-Alanine, conf. I
357329.4807 0.4503 -4.2516 3 455.2368435 89502 303721062 711161 a-Alanine, conf. I
357329.4807 0.4503 -4.2516 3 455.2368435 89502 303721162 711061 a-Alanine, conf. I
357329.4807 0.4503 -4.7868 3 455.2368435 89502 303721162 711161 a-Alanine, conf. I
357440.9990 0.1224 -5.0758 3 204.7089219 89502 3033635 1 3534 1 a-Alanine, conf. I
357440.9990 0.1224 -3.9152 3 204.7089219 89502 3033635 1 3534 2 a-Alanine, conf. I
357440.9990 0.1224 -3.9152 3 204.7089219 89502 3033635 2 3534 1 a-Alanine, conf. I
357440.9990 0.1224 -5.0758 3 204.7089219 89502 3033635 2 3534 2 a-Alanine, conf. I
357464.6315 0.1076 -5.1473 3 217.1691261 89502 303432716 422616 a-Alanine, conf. I
357464.6315 0.1076 -4.0938 3 217.1691261 89502 303432716 422617 a-Alanine, conf. I
357464.6315 0.1076 -4.0938 3 217.1691261 89502 303432717 422616 a-Alanine, conf. I
357464.6315 0.1076 -5.1473 3 217.1691261 89502 303432717 422617 a-Alanine, conf. I
357466.7502 0.3276 -5.4077 3 203.0961291 89502 30348 840 47 740 a-Alanine, conf. I
357466.7502 0.3276 -5.4077 3 203.0961291 89502 30348 940 47 840 a-Alanine, conf. I
357533.3460 0.6173 -4.7515 3 399.0704381 89502 303632142 622141 a-Alanine, conf. I
357546.7957 0.6844 -4.7610 3 467.4649465 89502 30377 374 76 373 a-Alanine, conf. I
357546.7957 0.6844 -4.1474 3 467.4649465 89502 30377 374 76 473 a-Alanine, conf. I
357546.7957 0.6844 -4.1474 3 467.4649465 89502 30377 474 76 373 a-Alanine, conf. I
357546.7957 0.6844 -4.7610 3 467.4649465 89502 30377 474 76 473 a-Alanine, conf. I
357588.7661 0.2195 -4.3880 3 247.5471297 89502 303492128 482029 a-Alanine, conf. I
357684.7480 0.8650 -4.9835 3 474.5461393 89502 303653530 643529 a-Alanine, conf. I
357684.7480 0.8650 -4.9835 3 474.5461393 89502 303653531 643530 a-Alanine, conf. I
357770.1970 7.6444 -5.7337 3 781.8535525 89502 303873454 863551 a-Alanine, conf. I
357801.8748 0.4640 -4.7924 3 448.3929423 89502 303701357 691356 a-Alanine, conf. I
357801.8748 0.4640 -4.3079 3 448.3929423 89502 303701357 691456 a-Alanine, conf. I
357801.8748 0.4640 -4.3079 3 448.3929423 89502 303701457 691356 a-Alanine, conf. I
357801.8748 0.4640 -4.7924 3 448.3929423 89502 303701457 691456 a-Alanine, conf. I
357813.0399 0.2531 -5.6182 3 110.1604219 89502 30336 630 35 531 a-Alanine, conf. I
357813.0447 0.2531 -5.6182 3 110.1604219 89502 30336 730 35 431 a-Alanine, conf. I
357830.4297 8.5374 -4.9953 3 469.5070411 89502 303682444 672543 a-Alanine, conf. I
357895.9432 1.6940 -5.2318 3 258.7145309 89502 303511734 501634 a-Alanine, conf. I
357968.9661 0.1175 -5.1561 3 221.1739267 89502 303442618 432518 a-Alanine, conf. I
357968.9661 0.1175 -4.1257 3 221.1739267 89502 303442618 432519 a-Alanine, conf. I
357968.9661 0.1175 -4.1257 3 221.1739267 89502 303442619 432518 a-Alanine, conf. I
357968.9661 0.1175 -5.1561 3 221.1739267 89502 303442619 432519 a-Alanine, conf. I
358061.2769 0.7870 -5.0096 3 164.8966249 89502 303411527 401228 a-Alanine, conf. I
358091.8419 0.1524 -4.3094 3 241.3329291 89502 303482227 472126 a-Alanine, conf. I
358110.2017 0.1536 -5.1916 3 241.3329291 89502 303482226 472126 a-Alanine, conf. I
358130.4207 0.7444 -5.7501 3 123.5951213 89502 303351620 341321 a-Alanine, conf. I
358163.4578 0.1571 -5.1914 3 241.3305291 89502 303482227 472127 a-Alanine, conf. I
358163.5085 0.4996 -4.7755 3 465.2198453 89502 30375 669 74 668 a-Alanine, conf. I
358163.5085 0.4996 -4.1903 3 465.2198453 89502 30375 669 74 768 a-Alanine, conf. I
358163.5085 0.4996 -4.1903 3 465.2198453 89502 30375 769 74 668 a-Alanine, conf. I
358163.5085 0.4996 -4.7755 3 465.2198453 89502 30375 769 74 768 a-Alanine, conf. I
358169.1743 3.2999 -4.7436 3 426.1763393 89502 303652243 642342 a-Alanine, conf. I
358170.5347 0.1010 -5.0843 3 206.0035225 89502 3033734 3 3633 3 a-Alanine, conf. I
358170.5347 0.1010 -3.9334 3 206.0035225 89502 3033734 3 3633 4 a-Alanine, conf. I
358170.5347 0.1010 -3.9334 3 206.0035225 89502 3033734 4 3633 3 a-Alanine, conf. I
358170.5347 0.1010 -5.0843 3 206.0035225 89502 3033734 4 3633 4 a-Alanine, conf. I
358181.8176 0.1588 -4.3092 3 241.3305291 89502 303482226 472127 a-Alanine, conf. I
358187.4669 0.7477 -5.8386 3 651.6777399 89502 3036658 8 6558 7 a-Alanine, conf. I
358187.4669 0.7477 -5.8386 3 651.6777399 89502 3036658 9 6558 8 a-Alanine, conf. I
358211.9586 0.9142 -4.9616 3 469.3843393 89502 303653431 643430 a-Alanine, conf. I
358211.9586 0.9142 -4.9616 3 469.3843393 89502 303653432 643431 a-Alanine, conf. I
358241.6730 0.2162 -5.0664 3 166.9482249 89502 303411626 401327 a-Alanine, conf. I
358276.7733 0.7093 -5.7721 3 642.7053399 89502 3036657 9 6557 8 a-Alanine, conf. I
358276.7733 0.7093 -5.7721 3 642.7053399 89502 303665710 6557 9 a-Alanine, conf. I
358365.8955 0.1280 -4.1613 3 225.5730273 89502 303452521 442420 a-Alanine, conf. I
358365.8959 0.1280 -5.1648 3 225.5730273 89502 303452520 442420 a-Alanine, conf. I
358365.8976 0.1280 -5.1648 3 225.5730273 89502 303452521 442421 a-Alanine, conf. I
358365.8979 0.1280 -4.1613 3 225.5730273 89502 303452520 442421 a-Alanine, conf. I
358372.2981 0.6741 -5.7113 3 633.8921399 89502 303665610 6556 9 a-Alanine, conf. I
358372.2981 0.6741 -5.7113 3 633.8921399 89502 303665611 655610 a-Alanine, conf. I
358454.2573 0.4674 -4.3791 3 439.4582411 89502 303681652 671751 a-Alanine, conf. I
358454.2596 0.4674 -4.7928 3 439.4582411 89502 303681752 671751 a-Alanine, conf. I
358454.2627 0.4674 -4.7928 3 439.4582411 89502 303681652 671651 a-Alanine, conf. I
358454.2650 0.4674 -4.3791 3 439.4582411 89502 303681752 671651 a-Alanine, conf. I
358474.4911 0.6425 -5.6552 3 625.2385399 89502 303665511 655510 a-Alanine, conf. I
358474.4911 0.6425 -5.6552 3 625.2385399 89502 303665512 655511 a-Alanine, conf. I
358546.2860 2.0404 -4.6197 3 242.6699297 89502 303491930 481831 a-Alanine, conf. I
358581.7769 0.1490 -4.2501 3 235.6236285 89502 303472325 462224 a-Alanine, conf. I
358582.4667 0.1490 -5.1824 3 235.6236285 89502 303472324 462224 a-Alanine, conf. I
358583.8473 0.6147 -5.6031 3 616.7448399 89502 303665412 655411 a-Alanine, conf. I
358583.8473 0.6147 -5.6031 3 616.7448399 89502 303665413 655412 a-Alanine, conf. I
358584.8386 0.1492 -5.1824 3 235.6235285 89502 303472325 462225 a-Alanine, conf. I
358585.5284 0.1493 -4.2501 3 235.6235285 89502 303472324 462225 a-Alanine, conf. I
358601.3856 0.1389 -4.2021 3 230.3821279 89502 303462423 452322 a-Alanine, conf. I
358601.4045 0.1389 -5.1736 3 230.3821279 89502 303462422 452322 a-Alanine, conf. I
358601.4791 0.1390 -5.1736 3 230.3821279 89502 303462423 452323 a-Alanine, conf. I
358601.4980 0.1390 -4.2021 3 230.3821279 89502 303462422 452323 a-Alanine, conf. I
358616.5064 0.5006 -4.7685 3 411.1650387 89502 303642243 632242 a-Alanine, conf. I
358631.2637 2.1187 -5.2274 3 270.6526315 89502 303521834 511734 a-Alanine, conf. I
358651.6038 0.3212 -5.4499 3 199.1430291 89502 30348 741 47 641 a-Alanine, conf. I
358651.6038 0.3212 -5.4499 3 199.1430291 89502 30348 841 47 741 a-Alanine, conf. I
358660.0308 1.3645 -4.8242 3 426.8067387 89502 303642738 632737 a-Alanine, conf. I
358668.2571 0.4544 -4.7865 3 461.0273441 89502 30373 964 72 963 a-Alanine, conf. I
358668.2571 0.4544 -4.2368 3 461.0273441 89502 30373 964 721063 a-Alanine, conf. I
358668.2571 0.4544 -4.2368 3 461.0273441 89502 303731064 72 963 a-Alanine, conf. I
358668.2571 0.4544 -4.7865 3 461.0273441 89502 303731064 721063 a-Alanine, conf. I
358669.4453 0.6733 -5.1397 3 143.3295237 89502 303391128 381029 a-Alanine, conf. I
358700.9132 0.5912 -5.5543 3 608.4114399 89502 303665313 655312 a-Alanine, conf. I
358700.9132 0.5912 -5.5543 3 608.4114399 89502 303665314 655313 a-Alanine, conf. I
358713.6263 15.1058 -5.4410 3 622.9757471 89502 303782949 773048 a-Alanine, conf. I
358742.1103 1.4037 -4.8240 3 426.8091387 89502 303642737 632736 a-Alanine, conf. I
358790.3199 0.7942 -4.7582 3 471.7378471 89502 30378 276 77 275 a-Alanine, conf. I
358790.3199 0.7942 -4.1363 3 471.7378471 89502 30378 276 77 375 a-Alanine, conf. I
358790.3199 0.7942 -4.1363 3 471.7378471 89502 30378 376 77 275 a-Alanine, conf. I
358790.3199 0.7942 -4.7582 3 471.7378471 89502 30378 376 77 375 a-Alanine, conf. I
358802.7927 0.9677 -4.9404 3 464.4069393 89502 303653333 643332 a-Alanine, conf. I
358802.7929 0.9677 -4.9404 3 464.4069393 89502 303653332 643331 a-Alanine, conf. I
358826.2931 0.5723 -5.5085 3 600.2385399 89502 303665214 655213 a-Alanine, conf. I
358826.2931 0.5723 -5.5085 3 600.2385399 89502 303665215 655214 a-Alanine, conf. I
358864.7863 0.6536 -5.1393 3 143.3293237 89502 303391228 38 929 a-Alanine, conf. I
358893.5429 0.0876 -5.0929 3 207.6477231 89502 3033833 5 3732 5 a-Alanine, conf. I
358893.5429 0.0876 -3.9527 3 207.6477231 89502 3033833 5 3732 6 a-Alanine, conf. I
358893.5429 0.0876 -3.9527 3 207.6477231 89502 3033833 6 3732 5 a-Alanine, conf. I
358893.5429 0.0876 -5.0929 3 207.6477231 89502 3033833 6 3732 6 a-Alanine, conf. I
358917.4634 14.5813 -5.5047 3 656.2642483 89502 303803050 793149 a-Alanine, conf. I
358960.6572 0.5583 -5.4652 3 592.2267399 89502 303665115 655114 a-Alanine, conf. I
358960.6572 0.5583 -5.4652 3 592.2267399 89502 303665116 655115 a-Alanine, conf. I
358970.0389 0.4857 -4.5414 3 419.8557393 89502 303652045 642144 a-Alanine, conf. I
359050.3185 0.5593 -5.2933 3 225.8512297 89502 303491237 481137 a-Alanine, conf. I
359050.9288 0.5591 -5.2933 3 225.8512297 89502 303491337 481237 a-Alanine, conf. I
359057.6249 1.9827 -5.6659 3 721.6011507 89502 303843154 833251 a-Alanine, conf. I
359102.4523 0.2959 -5.2117 3 284.2945321 89502 303532033 521933 a-Alanine, conf. I
359104.7514 0.5494 -5.4242 3 584.3762399 89502 303665016 655015 a-Alanine, conf. I
359104.7514 0.5494 -5.4242 3 584.3762399 89502 303665017 655016 a-Alanine, conf. I
359130.0925 0.4654 -4.7935 3 454.8599429 89502 303711259 701258 a-Alanine, conf. I
359130.0925 0.4654 -4.2895 3 454.8599429 89502 303711259 701358 a-Alanine, conf. I
359130.0925 0.4654 -4.2895 3 454.8599429 89502 303711359 701258 a-Alanine, conf. I
359130.0925 0.4654 -4.7935 3 454.8599429 89502 303711359 701358 a-Alanine, conf. I
359217.3385 15.0026 -5.3697 3 590.5550459 89502 303762848 752947 a-Alanine, conf. I
359219.6002 0.4534 -4.7774 3 419.8557393 89502 303652145 642144 a-Alanine, conf. I
359259.4075 0.5458 -5.3852 3 576.6876399 89502 303664917 654916 a-Alanine, conf. I
359259.4075 0.5458 -5.3852 3 576.6876399 89502 303664918 654917 a-Alanine, conf. I
359425.5571 0.5475 -5.3481 3 569.1613399 89502 303664818 654817 a-Alanine, conf. I
359425.5571 0.5475 -5.3481 3 569.1613399 89502 303664819 654818 a-Alanine, conf. I
359451.8222 0.4469 -4.7768 3 419.8396393 89502 303652045 642044 a-Alanine, conf. I
359459.5052 0.5510 -4.7738 3 470.1477459 89502 30376 571 75 570 a-Alanine, conf. I
359459.5052 0.5510 -4.1782 3 470.1477459 89502 30376 571 75 670 a-Alanine, conf. I
359459.5052 0.5510 -4.1782 3 470.1477459 89502 30376 671 75 570 a-Alanine, conf. I
359459.5052 0.5510 -4.7738 3 470.1477459 89502 30376 671 75 670 a-Alanine, conf. I
359470.0592 1.0266 -4.9199 3 459.6184393 89502 303653234 643233 a-Alanine, conf. I
359470.0616 1.0266 -4.9199 3 459.6184393 89502 303653233 643232 a-Alanine, conf. I
359522.4609 1.9086 -5.2180 3 282.6153321 89502 303531934 521834 a-Alanine, conf. I
359583.9004 9.5060 -5.7287 3 781.8487525 89502 303873453 863552 a-Alanine, conf. I
359604.2466 0.5543 -5.3127 3 561.7980399 89502 303664719 654718 a-Alanine, conf. I
359604.2466 0.5543 -5.3127 3 561.7980399 89502 303664720 654719 a-Alanine, conf. I
359606.8503 0.0823 -5.1015 3 209.6442237 89502 3033932 7 3831 7 a-Alanine, conf. I
359606.8503 0.0823 -3.9732 3 209.6442237 89502 3033932 7 3831 8 a-Alanine, conf. I
359606.8503 0.0823 -3.9732 3 209.6442237 89502 3033932 8 3831 7 a-Alanine, conf. I
359606.8503 0.0823 -5.1015 3 209.6442237 89502 3033932 8 3831 8 a-Alanine, conf. I
359607.4581 0.9339 -5.2455 3 244.0648303 89502 303501535 491435 a-Alanine, conf. I
359686.2756 0.4738 -4.3539 3 446.6450417 89502 303691554 681653 a-Alanine, conf. I
359686.2756 0.4738 -4.7958 3 446.6450417 89502 303691654 681653 a-Alanine, conf. I
359686.2757 0.4738 -4.7958 3 446.6450417 89502 303691554 681553 a-Alanine, conf. I
359686.2758 0.4738 -4.3539 3 446.6450417 89502 303691654 681553 a-Alanine, conf. I
359701.3836 0.4624 -4.5394 3 419.8396393 89502 303652145 642044 a-Alanine, conf. I
359740.2496 0.3376 -5.5010 3 195.0495291 89502 30348 642 47 542 a-Alanine, conf. I
359740.2496 0.3376 -5.5010 3 195.0495291 89502 30348 742 47 642 a-Alanine, conf. I
359796.6568 0.5659 -5.2788 3 554.5983399 89502 303664620 654619 a-Alanine, conf. I
359796.6568 0.5659 -5.2788 3 554.5983399 89502 303664621 654620 a-Alanine, conf. I
359801.6498 0.4619 -4.4843 3 428.1956399 89502 303661947 652046 a-Alanine, conf. I
359803.9460 0.3650 -4.4191 3 256.8356303 89502 303502130 492029 a-Alanine, conf. I
359812.4525 10.7200 -5.0974 3 498.4796423 89502 303702545 692644 a-Alanine, conf. I
359815.9534 0.6043 -5.8391 3 117.0179207 89502 303341619 331320 a-Alanine, conf. I
359817.3201 0.4611 -4.7853 3 428.1956399 89502 303662047 652046 a-Alanine, conf. I
359833.9657 0.4606 -4.7853 3 428.1946399 89502 303661947 651946 a-Alanine, conf. I
359845.1609 0.8855 -5.2449 3 244.0675303 89502 303501635 491535 a-Alanine, conf. I
359849.6360 0.4600 -4.4841 3 428.1946399 89502 303662047 651946 a-Alanine, conf. I
359959.6374 14.1695 -5.2883 3 559.0005447 89502 303742747 732846 a-Alanine, conf. I
359999.8345 0.4648 -4.7859 3 466.6118447 89502 30374 866 73 865 a-Alanine, conf. I
359999.8345 0.4648 -4.2230 3 466.6118447 89502 30374 866 73 965 a-Alanine, conf. I
359999.8345 0.4648 -4.2230 3 466.6118447 89502 30374 966 73 865 a-Alanine, conf. I
359999.8345 0.4648 -4.7859 3 466.6118447 89502 30374 966 73 965 a-Alanine, conf. I
360004.1251 0.5821 -5.2464 3 547.5628399 89502 303664521 654520 a-Alanine, conf. I
360004.1251 0.5821 -5.2464 3 547.5628399 89502 303664522 654521 a-Alanine, conf. I
360011.5130 0.9244 -4.7552 3 475.8052477 89502 30379 178 78 177 a-Alanine, conf. I
360011.5130 0.9244 -4.1255 3 475.8052477 89502 30379 178 78 277 a-Alanine, conf. I
360011.5130 0.9244 -4.1255 3 475.8052477 89502 30379 278 78 177 a-Alanine, conf. I
360011.5130 0.9244 -4.7552 3 475.8052477 89502 30379 278 78 277 a-Alanine, conf. I
360061.1186 3.0182 -4.6293 3 306.7587333 89502 303552135 542034 a-Alanine, conf. I
360075.0798 7.0403 -5.6925 3 761.3603519 89502 303863354 853451 a-Alanine, conf. I
360091.2919 13.6822 -5.5638 3 690.4216495 89502 303823151 813250 a-Alanine, conf. I
360094.3061 2.2561 -4.7333 3 391.1536375 89502 303622339 612338 a-Alanine, conf. I
360228.1739 0.6024 -5.2153 3 540.6923399 89502 303664422 654421 a-Alanine, conf. I
360228.1739 0.6024 -5.2153 3 540.6923399 89502 303664423 654422 a-Alanine, conf. I
360230.8992 1.0924 -4.9000 3 455.0243393 89502 303653135 643134 a-Alanine, conf. I
360230.9279 1.0924 -4.9000 3 455.0243393 89502 303653134 643133 a-Alanine, conf. I
360255.8567 1.4617 -4.8061 3 423.2912387 89502 303642639 632638 a-Alanine, conf. I
360306.0704 0.0836 -5.1102 3 211.9960243 89502 3034031 9 3930 9 a-Alanine, conf. I
360306.0704 0.0836 -3.9950 3 211.9960243 89502 3034031 9 393010 a-Alanine, conf. I
360306.0704 0.0836 -3.9950 3 211.9960243 89502 303403110 3930 9 a-Alanine, conf. I
360306.0704 0.0836 -5.1102 3 211.9960243 89502 303403110 393010 a-Alanine, conf. I
360354.9161 12.6786 -5.1968 3 528.3097435 89502 303722646 712745 a-Alanine, conf. I
360467.6947 0.4660 -4.7942 3 461.1131435 89502 303721161 711160 a-Alanine, conf. I
360467.6947 0.4660 -4.2728 3 461.1131435 89502 303721161 711260 a-Alanine, conf. I
360467.6947 0.4660 -4.2728 3 461.1131435 89502 303721261 711160 a-Alanine, conf. I
360467.6947 0.4660 -4.7942 3 461.1131435 89502 303721261 711260 a-Alanine, conf. I
360470.5448 0.6266 -5.1854 3 533.9878399 89502 303664323 654322 a-Alanine, conf. I
360470.5448 0.6266 -5.1854 3 533.9878399 89502 303664324 654323 a-Alanine, conf. I
360522.7864 0.2301 -5.2032 3 256.8356303 89502 303502129 492029 a-Alanine, conf. I
360676.0018 1.6587 -5.0025 3 172.4321255 89502 303421428 411329 a-Alanine, conf. I
360680.9300 0.8057 -5.2155 3 261.2990309 89502 303511933 501833 a-Alanine, conf. I
360683.8660 0.4700 -4.4423 3 436.2125405 89502 303671849 661948 a-Alanine, conf. I
360684.6339 0.4700 -4.7915 3 436.2125405 89502 303671949 661948 a-Alanine, conf. I
360685.5338 0.4700 -4.7915 3 436.2125405 89502 303671849 661848 a-Alanine, conf. I
360686.3017 0.4700 -4.4423 3 436.2125405 89502 303671949 661848 a-Alanine, conf. I
360733.2423 0.6543 -5.1566 3 527.4501399 89502 303664224 654223 a-Alanine, conf. I
360733.2423 0.6543 -5.1566 3 527.4501399 89502 303664225 654224 a-Alanine, conf. I
360737.6489 0.6224 -4.7718 3 474.8717465 89502 30377 473 76 472 a-Alanine, conf. I
360737.6489 0.6224 -4.1666 3 474.8717465 89502 30377 473 76 572 a-Alanine, conf. I
360737.6489 0.6224 -4.1666 3 474.8717465 89502 30377 573 76 472 a-Alanine, conf. I
360737.6489 0.6224 -4.7718 3 474.8717465 89502 30377 573 76 572 a-Alanine, conf. I
360746.8142 0.3736 -5.5644 3 190.8186291 89502 30348 543 47 443 a-Alanine, conf. I
360746.8142 0.3736 -5.5644 3 190.8186291 89502 30348 643 47 543 a-Alanine, conf. I
360768.8565 1.6809 -4.8049 3 423.3088387 89502 303642638 632637 a-Alanine, conf. I
360774.3538 0.5600 -4.7623 3 410.9965387 89502 303642143 632142 a-Alanine, conf. I
360827.6665 0.4821 -5.3149 3 222.3984297 89502 303491138 481038 a-Alanine, conf. I
360827.7129 0.4821 -5.3149 3 222.3984297 89502 303491238 481138 a-Alanine, conf. I
360865.9339 0.7183 -4.7225 3 389.2465375 89502 303622240 612239 a-Alanine, conf. I
360915.9479 8.1127 -5.8367 3 840.5210543 89502 303903655 893752 a-Alanine, conf. I
360968.0274 0.4785 -4.7981 3 453.5987423 89502 303701456 691455 a-Alanine, conf. I
360968.0274 0.4785 -4.3318 3 453.5987423 89502 303701456 691555 a-Alanine, conf. I
360968.0274 0.4785 -4.3318 3 453.5987423 89502 303701556 691455 a-Alanine, conf. I
360968.0274 0.4785 -4.7981 3 453.5987423 89502 303701556 691555 a-Alanine, conf. I
360985.1233 0.0893 -5.1190 3 214.7069249 89502 303413011 402911 a-Alanine, conf. I
360985.1233 0.0893 -4.0183 3 214.7069249 89502 303413011 402912 a-Alanine, conf. I
360985.1233 0.0893 -4.0183 3 214.7069249 89502 303413012 402911 a-Alanine, conf. I
360985.1233 0.0893 -5.1190 3 214.7069249 89502 303413012 402912 a-Alanine, conf. I
361018.5876 0.6851 -5.1290 3 521.0804399 89502 303664125 654124 a-Alanine, conf. I
361018.5876 0.6851 -5.1290 3 521.0804399 89502 303664126 654125 a-Alanine, conf. I
361109.0534 1.1676 -4.8806 3 450.6316393 89502 303653036 643035 a-Alanine, conf. I
361109.3582 1.1678 -4.8806 3 450.6316393 89502 303653035 643034 a-Alanine, conf. I
361121.1549 1.1036 -4.5152 3 254.2733303 89502 303502030 491931 a-Alanine, conf. I
361204.6139 5.2675 -5.6640 3 741.2642513 89502 303853254 843351 a-Alanine, conf. I
361209.0959 1.0745 -4.7519 3 479.6659483 89502 30380 080 79 079 a-Alanine, conf. I
361209.0959 1.0745 -4.1150 3 479.6659483 89502 30380 080 79 179 a-Alanine, conf. I
361209.0959 1.0745 -4.1150 3 479.6659483 89502 30380 180 79 079 a-Alanine, conf. I
361209.0959 1.0745 -4.7519 3 479.6659483 89502 30380 180 79 179 a-Alanine, conf. I
361249.4917 8.5264 -5.8358 3 840.5203543 89502 303903654 893753 a-Alanine, conf. I
361320.5830 0.4859 -4.7850 3 471.9914453 89502 30375 768 74 767 a-Alanine, conf. I
361320.5830 0.4859 -4.2100 3 471.9914453 89502 30375 768 74 867 a-Alanine, conf. I
361320.5830 0.4859 -4.2100 3 471.9914453 89502 30375 868 74 767 a-Alanine, conf. I
361320.5830 0.4859 -4.7850 3 471.9914453 89502 30375 868 74 867 a-Alanine, conf. I
361329.2884 0.7190 -5.1024 3 514.8800399 89502 303664026 654025 a-Alanine, conf. I
361329.2884 0.7190 -5.1024 3 514.8800399 89502 303664027 654026 a-Alanine, conf. I
361362.7878 0.8665 -5.0829 3 152.8428243 89502 303401228 391129 a-Alanine, conf. I
361409.2955 0.9570 -4.6136 3 423.1272393 89502 303652144 642243 a-Alanine, conf. I
361460.7918 0.7568 -4.7691 3 414.1193387 89502 303642342 632341 a-Alanine, conf. I
361635.5221 0.0973 -5.1278 3 217.7815255 89502 303422913 412813 a-Alanine, conf. I
361635.5221 0.0973 -4.0434 3 217.7815255 89502 303422913 412814 a-Alanine, conf. I
361635.5221 0.0973 -4.0434 3 217.7815255 89502 303422914 412813 a-Alanine, conf. I
361635.5221 0.0973 -5.1278 3 217.7815255 89502 303422914 412814 a-Alanine, conf. I
361668.5288 0.7556 -5.0767 3 508.8504399 89502 303663927 653926 a-Alanine, conf. I
361668.5288 0.7556 -5.0767 3 508.8504399 89502 303663928 653927 a-Alanine, conf. I
361682.5257 0.4241 -5.6454 3 186.4529291 89502 30348 444 47 344 a-Alanine, conf. I
361682.5257 0.4241 -5.6454 3 186.4529291 89502 30348 544 47 444 a-Alanine, conf. I
361740.5291 0.4782 -4.4088 3 443.9438411 89502 303681751 671850 a-Alanine, conf. I
361740.5594 0.4782 -4.7963 3 443.9438411 89502 303681851 671850 a-Alanine, conf. I
361740.5979 0.4782 -4.7963 3 443.9438411 89502 303681751 671750 a-Alanine, conf. I
361740.6283 0.4782 -4.4088 3 443.9438411 89502 303681851 671750 a-Alanine, conf. I
361807.2623 0.4673 -4.7946 3 467.1560441 89502 303731063 721062 a-Alanine, conf. I
361807.2623 0.4673 -4.2574 3 467.1560441 89502 303731063 721162 a-Alanine, conf. I
361807.2623 0.4673 -4.2574 3 467.1560441 89502 303731163 721062 a-Alanine, conf. I
361807.2623 0.4673 -4.7946 3 467.1560441 89502 303731163 721162 a-Alanine, conf. I
361816.4087 1.4406 -4.7891 3 420.0377387 89502 303642540 632539 a-Alanine, conf. I
361919.4313 0.4364 -5.2859 3 131.2570231 89502 30338 929 37 830 a-Alanine, conf. I
361923.2534 0.4360 -5.2859 3 131.2570231 89502 303381029 37 730 a-Alanine, conf. I
361996.1206 0.7148 -4.7695 3 479.3914471 89502 30378 375 77 374 a-Alanine, conf. I
361996.1206 0.7148 -4.1555 3 479.3914471 89502 30378 375 77 474 a-Alanine, conf. I
361996.1206 0.7148 -4.1555 3 479.3914471 89502 30378 475 77 374 a-Alanine, conf. I
361996.1206 0.7148 -4.7695 3 479.3914471 89502 30378 475 77 474 a-Alanine, conf. I
362012.9002 1.0206 -5.2239 3 258.7851309 89502 303511834 501734 a-Alanine, conf. I
362040.0880 0.7951 -5.0520 3 502.9931399 89502 303663828 653827 a-Alanine, conf. I
362040.0880 0.7951 -5.0520 3 502.9931399 89502 303663829 653828 a-Alanine, conf. I
362051.5518 0.1957 -5.2000 3 256.7607303 89502 303502130 492030 a-Alanine, conf. I
362128.8318 0.1419 -5.0658 3 210.1053219 89502 3033636 0 3535 0 a-Alanine, conf. I
362128.8318 0.1419 -3.9005 3 210.1053219 89502 3033636 0 3535 1 a-Alanine, conf. I
362128.8318 0.1419 -3.9005 3 210.1053219 89502 3033636 1 3535 0 a-Alanine, conf. I
362128.8318 0.1419 -5.0658 3 210.1053219 89502 3033636 1 3535 1 a-Alanine, conf. I
362129.8947 0.7879 -5.0816 3 152.8422243 89502 303401328 391029 a-Alanine, conf. I
362138.4074 1.2560 -4.8617 3 446.4494393 89502 303652937 642936 a-Alanine, conf. I
362141.2699 1.2576 -4.8617 3 446.4495393 89502 303652936 642935 a-Alanine, conf. I
362185.6155 2.6055 -4.7585 3 405.3960381 89502 303632439 622438 a-Alanine, conf. I
362245.2786 0.1064 -5.1367 3 221.2258261 89502 303432815 422715 a-Alanine, conf. I
362245.2786 0.1064 -4.0706 3 221.2258261 89502 303432815 422716 a-Alanine, conf. I
362245.2786 0.1064 -4.0706 3 221.2258261 89502 303432816 422715 a-Alanine, conf. I
362245.2786 0.1064 -5.1367 3 221.2258261 89502 303432816 422716 a-Alanine, conf. I
362276.2466 12.6978 -5.6207 3 725.4483507 89502 303843252 833351 a-Alanine, conf. I
362280.1037 0.4814 -4.8000 3 460.3279429 89502 303711358 701357 a-Alanine, conf. I
362280.1037 0.4814 -4.3123 3 460.3279429 89502 303711358 701457 a-Alanine, conf. I
362280.1037 0.4814 -4.3123 3 460.3279429 89502 303711458 701357 a-Alanine, conf. I
362280.1037 0.4814 -4.8000 3 460.3279429 89502 303711458 701457 a-Alanine, conf. I
362339.0856 2.9169 -4.7534 3 231.3251291 89502 303481830 471731 a-Alanine, conf. I
362348.4093 3.0149 -5.7203 3 737.5325513 89502 303853155 843252 a-Alanine, conf. I
362382.6657 0.4588 -5.2078 3 263.7095309 89502 303512032 501932 a-Alanine, conf. I
362402.0702 0.4190 -5.3403 3 218.7857297 89502 303491039 48 939 a-Alanine, conf. I
362402.0731 0.4190 -5.3403 3 218.7857297 89502 303491139 481039 a-Alanine, conf. I
362448.4991 0.8375 -5.0281 3 497.3102399 89502 303663729 653728 a-Alanine, conf. I
362448.4991 0.8375 -5.0281 3 497.3102399 89502 303663730 653729 a-Alanine, conf. I
362471.8975 1.1707 -5.0373 3 162.5461249 89502 303411328 401229 a-Alanine, conf. I
362500.3566 0.7768 -5.2578 3 241.0436303 89502 303501436 491336 a-Alanine, conf. I
362530.1769 0.7704 -5.2577 3 241.0439303 89502 303501536 491436 a-Alanine, conf. I
362530.3992 1.1713 -4.7757 3 417.0182387 89502 303642441 632440 a-Alanine, conf. I
362556.4800 0.4845 -5.7543 3 181.9542291 89502 30348 345 47 245 a-Alanine, conf. I
362556.4800 0.4845 -5.7543 3 181.9542291 89502 30348 445 47 345 a-Alanine, conf. I
362587.1801 2.1843 -4.6359 3 399.0704381 89502 303632242 622141 a-Alanine, conf. I
362627.5573 0.5218 -4.7838 3 477.1668459 89502 30376 670 75 669 a-Alanine, conf. I
362627.5573 0.5218 -4.1977 3 477.1668459 89502 30376 670 75 769 a-Alanine, conf. I
362627.5573 0.5218 -4.1977 3 477.1668459 89502 30376 770 75 669 a-Alanine, conf. I
362627.5573 0.5218 -4.7838 3 477.1668459 89502 30376 770 75 769 a-Alanine, conf. I
362697.5109 0.6583 -4.4532 3 266.3190309 89502 303512131 502030 a-Alanine, conf. I
362770.3921 0.3177 -4.4139 3 256.7607303 89502 303502129 492030 a-Alanine, conf. I
362797.1582 0.1162 -5.1456 3 225.0470267 89502 303442717 432617 a-Alanine, conf. I
362797.1582 0.1162 -4.1003 3 225.0470267 89502 303442717 432618 a-Alanine, conf. I
362797.1582 0.1162 -4.1003 3 225.0470267 89502 303442718 432617 a-Alanine, conf. I
362797.1582 0.1162 -5.1456 3 225.0470267 89502 303442718 432618 a-Alanine, conf. I
362860.3987 0.1161 -5.0742 3 211.2381225 89502 3033735 2 3634 2 a-Alanine, conf. I
362860.3987 0.1161 -3.9181 3 211.2381225 89502 3033735 2 3634 3 a-Alanine, conf. I
362860.3987 0.1161 -3.9181 3 211.2381225 89502 3033735 3 3634 2 a-Alanine, conf. I
362860.3987 0.1161 -5.0742 3 211.2381225 89502 3033735 3 3634 3 a-Alanine, conf. I
362897.3672 0.1576 -4.3272 3 250.3002297 89502 303492228 482127 a-Alanine, conf. I
362899.2672 0.8830 -5.0051 3 491.8040399 89502 303663630 653629 a-Alanine, conf. I
362899.2672 0.8830 -5.0051 3 491.8040399 89502 303663631 653630 a-Alanine, conf. I
362911.9520 0.4857 -4.3809 3 451.4149417 89502 303691653 681752 a-Alanine, conf. I
362911.9529 0.4857 -4.8003 3 451.4149417 89502 303691753 681752 a-Alanine, conf. I
362911.9543 0.4857 -4.8003 3 451.4149417 89502 303691653 681652 a-Alanine, conf. I
362911.9553 0.4857 -4.3809 3 451.4149417 89502 303691753 681652 a-Alanine, conf. I
362940.1651 0.1595 -5.1910 3 250.3002297 89502 303492227 482127 a-Alanine, conf. I
362999.6173 2.9722 -4.6556 3 387.2451375 89502 303622241 612140 a-Alanine, conf. I
363018.0580 0.4882 -4.7760 3 423.1272393 89502 303652244 642243 a-Alanine, conf. I
363029.9784 0.2712 -5.7789 3 107.0362219 89502 30336 531 35 432 a-Alanine, conf. I
363029.9786 0.2712 -5.7789 3 107.0362219 89502 30336 631 35 332 a-Alanine, conf. I
363050.3350 2.4251 -4.5881 3 296.2729327 89502 303542134 532033 a-Alanine, conf. I
363057.3574 0.1663 -5.1907 3 250.2948297 89502 303492228 482128 a-Alanine, conf. I
363087.4549 7.3506 -5.7979 3 753.7240519 89502 303863156 853253 a-Alanine, conf. I
363092.2886 0.2927 -5.4871 3 119.1456225 89502 30337 730 36 631 a-Alanine, conf. I
363092.3271 0.2927 -5.4871 3 119.1456225 89502 30337 830 36 531 a-Alanine, conf. I
363100.1553 0.1703 -4.3268 3 250.2948297 89502 303492227 482128 a-Alanine, conf. I
363143.1861 0.4720 -4.7945 3 472.9911447 89502 30374 965 73 964 a-Alanine, conf. I
363143.1861 0.4720 -4.2432 3 472.9911447 89502 30374 965 731064 a-Alanine, conf. I
363143.1861 0.4720 -4.2432 3 472.9911447 89502 303741065 73 964 a-Alanine, conf. I
363143.1861 0.4720 -4.7945 3 472.9911447 89502 303741065 731064 a-Alanine, conf. I
363233.3342 0.8281 -4.7670 3 483.7058477 89502 30379 277 78 276 a-Alanine, conf. I
363233.3342 0.8281 -4.1448 3 483.7058477 89502 30379 277 78 376 a-Alanine, conf. I
363233.3342 0.8281 -4.1448 3 483.7058477 89502 30379 377 78 276 a-Alanine, conf. I
363233.3342 0.8281 -4.7670 3 483.7058477 89502 30379 377 78 376 a-Alanine, conf. I
363235.3286 2.7278 -4.9200 3 200.9208273 89502 303451629 441530 a-Alanine, conf. I
363265.7491 0.1267 -4.1333 3 229.2548273 89502 303452620 442519 a-Alanine, conf. I
363265.7492 0.1267 -5.1545 3 229.2548273 89502 303452619 442519 a-Alanine, conf. I
363265.7493 0.1267 -4.1333 3 229.2548273 89502 303452619 442520 a-Alanine, conf. I
363265.7493 0.1267 -5.1545 3 229.2548273 89502 303452620 442520 a-Alanine, conf. I
363354.3948 8.1824 -5.7884 3 819.1329537 89502 303893555 883652 a-Alanine, conf. I
363365.9734 1.3615 -4.8431 3 442.4902393 89502 303652838 642837 a-Alanine, conf. I
363389.4412 1.3739 -4.8431 3 442.4908393 89502 303652837 642836 a-Alanine, conf. I
363394.9798 0.4832 -4.5318 3 431.8380399 89502 303662046 652145 a-Alanine, conf. I
363399.1744 0.9319 -4.9828 3 486.4772399 89502 303663531 653530 a-Alanine, conf. I
363399.1744 0.9319 -4.9828 3 486.4772399 89502 303663532 653531 a-Alanine, conf. I
363522.0470 0.4707 -4.7853 3 431.8380399 89502 303662146 652145 a-Alanine, conf. I
363586.7114 0.0979 -5.0826 3 212.7193231 89502 3033834 4 3733 4 a-Alanine, conf. I
363586.7114 0.0979 -3.9367 3 212.7193231 89502 3033834 4 3733 5 a-Alanine, conf. I
363586.7114 0.0979 -3.9367 3 212.7193231 89502 3033834 5 3733 4 a-Alanine, conf. I
363586.7114 0.0979 -5.0826 3 212.7193231 89502 3033834 5 3733 5 a-Alanine, conf. I
363609.2697 0.4826 -4.8013 3 466.8392435 89502 303721260 711259 a-Alanine, conf. I
363609.2697 0.4826 -4.2947 3 466.8392435 89502 303721260 711359 a-Alanine, conf. I
363609.2697 0.4826 -4.2947 3 466.8392435 89502 303721360 711259 a-Alanine, conf. I
363609.2697 0.4826 -4.8013 3 466.8392435 89502 303721360 711359 a-Alanine, conf. I
363612.2079 0.1377 -4.1703 3 233.8618279 89502 303462522 452421 a-Alanine, conf. I
363612.2091 0.1377 -5.1634 3 233.8618279 89502 303462521 452421 a-Alanine, conf. I
363612.2143 0.1377 -5.1634 3 233.8618279 89502 303462522 452422 a-Alanine, conf. I
363612.2155 0.1377 -4.1703 3 233.8618279 89502 303462521 452422 a-Alanine, conf. I
363637.3389 0.1581 -4.2635 3 244.3510291 89502 303482326 472225 a-Alanine, conf. I
363639.1208 0.1582 -5.1814 3 244.3510291 89502 303482325 472225 a-Alanine, conf. I
363644.5411 0.4664 -4.7849 3 431.8296399 89502 303662046 652045 a-Alanine, conf. I
363644.9616 0.1587 -5.1814 3 244.3508291 89502 303482326 472226 a-Alanine, conf. I
363645.3046 0.7473 -5.8025 3 663.6256405 89502 3036758 9 6658 8 a-Alanine, conf. I
363645.3046 0.7473 -5.8025 3 663.6256405 89502 303675810 6658 9 a-Alanine, conf. I
363646.7435 0.1589 -4.2634 3 244.3508291 89502 303482325 472226 a-Alanine, conf. I
363670.3405 1.4940 -4.6173 3 410.9965387 89502 303642243 632142 a-Alanine, conf. I
363739.2126 0.7105 -5.7413 3 654.6561405 89502 303675710 6657 9 a-Alanine, conf. I
363739.2126 0.7105 -5.7413 3 654.6561405 89502 303675711 665710 a-Alanine, conf. I
363771.6084 0.4680 -4.5308 3 431.8296399 89502 303662146 652045 a-Alanine, conf. I
363773.8431 0.1488 -4.2129 3 238.8855285 89502 303472424 462323 a-Alanine, conf. I
363773.8969 0.1488 -5.1723 3 238.8855285 89502 303472423 462323 a-Alanine, conf. I
363774.1014 0.1488 -5.1723 3 238.8855285 89502 303472424 462324 a-Alanine, conf. I
363774.1552 0.1489 -4.2129 3 238.8855285 89502 303472423 462324 a-Alanine, conf. I
363815.9103 0.3724 -5.3702 3 215.0199297 89502 30349 940 48 840 a-Alanine, conf. I
363815.9105 0.3724 -5.3702 3 215.0199297 89502 303491040 48 940 a-Alanine, conf. I
363839.6197 0.6773 -5.6848 3 645.8461405 89502 303675611 665610 a-Alanine, conf. I
363839.6197 0.6773 -5.6848 3 645.8461405 89502 303675612 665611 a-Alanine, conf. I
363918.3160 0.5759 -4.7823 3 482.1380465 89502 30377 572 76 571 a-Alanine, conf. I
363918.3160 0.5759 -4.1861 3 482.1380465 89502 30377 572 76 671 a-Alanine, conf. I
363918.3160 0.5759 -4.1861 3 482.1380465 89502 30377 672 76 571 a-Alanine, conf. I
363918.3160 0.5759 -4.7823 3 482.1380465 89502 30377 672 76 671 a-Alanine, conf. I
363946.9983 0.6480 -5.6323 3 637.1959405 89502 303675512 665511 a-Alanine, conf. I
363946.9983 0.6480 -5.6323 3 637.1959405 89502 303675513 665512 a-Alanine, conf. I
363956.7210 0.9847 -4.9613 3 481.3330399 89502 303663432 653431 a-Alanine, conf. I
363956.7210 0.9847 -4.9613 3 481.3330399 89502 303663433 653432 a-Alanine, conf. I
364050.2901 1.1804 -5.2348 3 256.0600309 89502 303511635 501535 a-Alanine, conf. I
364061.8685 0.6229 -5.5832 3 628.7059405 89502 303675413 665412 a-Alanine, conf. I
364061.8685 0.6229 -5.5832 3 628.7059405 89502 303675414 665413 a-Alanine, conf. I
364139.1088 0.3523 -5.2053 3 266.3190309 89502 303512130 502030 a-Alanine, conf. I
364141.3172 0.3164 -5.7490 3 121.3031213 89502 303351520 341223 a-Alanine, conf. I
364155.0418 0.4920 -4.3569 3 458.6429423 89502 303701555 691654 a-Alanine, conf. I
364155.0418 0.4920 -4.8034 3 458.6429423 89502 303701655 691654 a-Alanine, conf. I
364155.0419 0.4920 -4.8034 3 458.6429423 89502 303701555 691554 a-Alanine, conf. I
364155.0419 0.4920 -4.3569 3 458.6429423 89502 303701655 691554 a-Alanine, conf. I
364173.4669 0.4802 -4.4803 3 440.1979405 89502 303671948 662047 a-Alanine, conf. I
364180.9730 0.4798 -4.7930 3 440.1979405 89502 303672048 662047 a-Alanine, conf. I
364184.8045 0.6024 -5.5369 3 620.3764405 89502 303675314 665313 a-Alanine, conf. I
364184.8045 0.6024 -5.5369 3 620.3764405 89502 303675315 665314 a-Alanine, conf. I
364189.1372 0.4796 -4.7930 3 440.1973405 89502 303671948 661947 a-Alanine, conf. I
364196.6433 0.4793 -4.4802 3 440.1973405 89502 303672048 661947 a-Alanine, conf. I
364277.7036 0.9405 -5.2105 3 294.6077327 89502 303542034 531934 a-Alanine, conf. I
364299.0634 2.3078 -4.7828 3 420.1419387 89502 303642539 632538 a-Alanine, conf. I
364305.1677 0.0880 -5.0912 3 214.5513237 89502 3033933 6 3832 6 a-Alanine, conf. I
364305.1677 0.0880 -3.9563 3 214.5513237 89502 3033933 6 3832 7 a-Alanine, conf. I
364305.1677 0.0880 -3.9563 3 214.5513237 89502 3033933 7 3832 6 a-Alanine, conf. I
364305.1677 0.0880 -5.0912 3 214.5513237 89502 3033933 7 3832 7 a-Alanine, conf. I
364305.2822 0.5082 -4.7724 3 423.0306393 89502 303652144 642143 a-Alanine, conf. I
364316.4420 0.5869 -5.4933 3 612.2077405 89502 303675215 665214 a-Alanine, conf. I
364316.4420 0.5869 -5.4933 3 612.2077405 89502 303675216 665215 a-Alanine, conf. I
364405.2009 1.1233 -4.4939 3 276.0477315 89502 303522132 512031 a-Alanine, conf. I
364436.0944 9.4071 -5.7856 3 819.1302537 89502 303893554 883653 a-Alanine, conf. I
364447.8854 0.9620 -4.7642 3 487.8139483 89502 30380 179 79 178 a-Alanine, conf. I
364447.8854 0.9620 -4.1344 3 487.8139483 89502 30380 179 79 278 a-Alanine, conf. I
364447.8854 0.9620 -4.1344 3 487.8139483 89502 30380 279 79 178 a-Alanine, conf. I
364447.8854 0.9620 -4.7642 3 487.8139483 89502 30380 279 79 278 a-Alanine, conf. I
364457.4863 0.5765 -5.4519 3 604.2003405 89502 303675116 665115 a-Alanine, conf. I
364457.4863 0.5765 -5.4519 3 604.2003405 89502 303675117 665116 a-Alanine, conf. I
364471.1037 0.4837 -4.7942 3 478.6201453 89502 30375 867 74 866 a-Alanine, conf. I
364471.1037 0.4837 -4.2300 3 478.6201453 89502 30375 867 74 966 a-Alanine, conf. I
364471.1037 0.4837 -4.2300 3 478.6201453 89502 30375 967 74 866 a-Alanine, conf. I
364471.1037 0.4837 -4.7942 3 478.6201453 89502 30375 967 74 966 a-Alanine, conf. I
364571.4433 1.7438 -4.5403 3 286.0318321 89502 303532133 522032 a-Alanine, conf. I
364582.7833 1.0425 -4.9405 3 476.3753399 89502 303663334 653333 a-Alanine, conf. I
364582.7838 1.0425 -4.9405 3 476.3753399 89502 303663333 653332 a-Alanine, conf. I
364608.7225 0.5714 -5.4126 3 596.3546405 89502 303675017 665016 a-Alanine, conf. I
364608.7225 0.5714 -5.4126 3 596.3546405 89502 303675018 665017 a-Alanine, conf. I
364771.0277 0.5717 -5.3751 3 588.6712405 89502 303674918 664917 a-Alanine, conf. I
364771.0277 0.5717 -5.3751 3 588.6712405 89502 303674919 664918 a-Alanine, conf. I
364817.9594 0.6654 -5.2733 3 237.8279303 89502 303501337 491237 a-Alanine, conf. I
364821.0328 0.6647 -5.2733 3 237.8279303 89502 303501437 491337 a-Alanine, conf. I
364837.2517 1.4784 -4.8248 3 438.7703393 89502 303652739 642738 a-Alanine, conf. I
364867.2297 1.0157 -5.2330 3 256.0706309 89502 303511735 501635 a-Alanine, conf. I
364945.3843 0.5772 -5.3393 3 581.1505405 89502 303674819 664818 a-Alanine, conf. I
364945.3843 0.5772 -5.3393 3 581.1505405 89502 303674820 664819 a-Alanine, conf. I
364946.0946 0.4831 -4.8023 3 473.1370441 89502 303731162 721161 a-Alanine, conf. I
364946.0946 0.4831 -4.2786 3 473.1370441 89502 303731162 721261 a-Alanine, conf. I
364946.0946 0.4831 -4.2786 3 473.1370441 89502 303731262 721161 a-Alanine, conf. I
364946.0946 0.4831 -4.8023 3 473.1370441 89502 303731262 721261 a-Alanine, conf. I
364948.0468 0.4065 -4.7329 3 401.2837381 89502 303632241 622240 a-Alanine, conf. I
364949.9492 0.5097 -5.0155 3 174.6369255 89502 303421627 411328 a-Alanine, conf. I
365001.7149 1.5577 -4.8244 3 438.7755393 89502 303652738 642737 a-Alanine, conf. I
365012.1867 0.0859 -5.0999 3 216.7368243 89502 3034032 8 3931 8 a-Alanine, conf. I
365012.1867 0.0859 -3.9772 3 216.7368243 89502 3034032 8 3931 9 a-Alanine, conf. I
365012.1867 0.0859 -3.9772 3 216.7368243 89502 3034032 9 3931 8 a-Alanine, conf. I
365012.1867 0.0859 -5.0999 3 216.7368243 89502 3034032 9 3931 9 a-Alanine, conf. I
365041.6049 3.6757 -4.6723 3 375.5212369 89502 303612240 602139 a-Alanine, conf. I
365097.6876 0.4888 -4.4414 3 448.2437411 89502 303681850 671949 a-Alanine, conf. I
365098.0378 0.4888 -4.7992 3 448.2437411 89502 303681950 671949 a-Alanine, conf. I
365098.4555 0.4888 -4.7992 3 448.2437411 89502 303681850 671849 a-Alanine, conf. I
365098.8056 0.4888 -4.4414 3 448.2437411 89502 303681950 671849 a-Alanine, conf. I
365098.9809 0.3460 -5.4055 3 211.1063297 89502 30349 841 48 741 a-Alanine, conf. I
365098.9809 0.3460 -5.4055 3 211.1063297 89502 30349 941 48 841 a-Alanine, conf. I
365110.7526 0.9054 -5.0339 3 162.5431249 89502 303411428 401129 a-Alanine, conf. I
365132.8974 0.5878 -5.3051 3 573.7931405 89502 303674720 664719 a-Alanine, conf. I
365132.8974 0.5878 -5.3051 3 573.7931405 89502 303674721 664720 a-Alanine, conf. I
365190.7952 0.6504 -4.7806 3 486.9046471 89502 30378 474 77 473 a-Alanine, conf. I
365190.7952 0.6504 -4.1749 3 486.9046471 89502 30378 474 77 573 a-Alanine, conf. I
365190.7952 0.6504 -4.1749 3 486.9046471 89502 30378 574 77 473 a-Alanine, conf. I
365190.7952 0.6504 -4.7806 3 486.9046471 89502 30378 574 77 573 a-Alanine, conf. I
365291.6355 1.1063 -4.9203 3 471.6091399 89502 303663235 653234 a-Alanine, conf. I
365291.6417 1.1063 -4.9203 3 471.6091399 89502 303663234 653233 a-Alanine, conf. I
365334.8152 0.6030 -5.2722 3 566.5998405 89502 303674621 664620 a-Alanine, conf. I
365334.8152 0.6030 -5.2722 3 566.5998405 89502 303674622 664621 a-Alanine, conf. I
365355.9898 11.8405 -5.6774 3 761.3443519 89502 303863353 853452 a-Alanine, conf. I
365442.8660 0.4965 -4.8060 3 465.6393429 89502 303711457 701456 a-Alanine, conf. I
365442.8660 0.4965 -4.3359 3 465.6393429 89502 303711457 701556 a-Alanine, conf. I
365442.8660 0.4965 -4.3359 3 465.6393429 89502 303711557 701456 a-Alanine, conf. I
365442.8660 0.4965 -4.8060 3 465.6393429 89502 303711557 701556 a-Alanine, conf. I
365552.5531 0.6226 -5.2407 3 559.5712405 89502 303674522 664521 a-Alanine, conf. I
365552.5531 0.6226 -5.2407 3 559.5712405 89502 303674523 664522 a-Alanine, conf. I
365638.5140 1.1161 -4.7611 3 491.7145489 89502 30381 081 80 080 a-Alanine, conf. I
365638.5140 1.1161 -4.1242 3 491.7145489 89502 30381 081 80 180 a-Alanine, conf. I
365638.5140 1.1161 -4.1242 3 491.7145489 89502 30381 181 80 080 a-Alanine, conf. I
365638.5140 1.1161 -4.7611 3 491.7145489 89502 30381 181 80 180 a-Alanine, conf. I
365702.8387 0.0895 -5.1087 3 219.2791249 89502 303413110 403010 a-Alanine, conf. I
365702.8387 0.0895 -3.9994 3 219.2791249 89502 303413110 403011 a-Alanine, conf. I
365702.8387 0.0895 -3.9994 3 219.2791249 89502 303413111 403010 a-Alanine, conf. I
365702.8387 0.0895 -5.1087 3 219.2791249 89502 303413111 403011 a-Alanine, conf. I
365763.3899 5.0179 -4.8229 3 453.8409405 89502 303672344 662443 a-Alanine, conf. I
365787.5359 0.5066 -4.7936 3 484.0438459 89502 30376 769 75 768 a-Alanine, conf. I
365787.5359 0.5066 -4.2175 3 484.0438459 89502 30376 769 75 868 a-Alanine, conf. I
365787.5359 0.5066 -4.2175 3 484.0438459 89502 30376 869 75 768 a-Alanine, conf. I
365787.5359 0.5066 -4.7936 3 484.0438459 89502 30376 869 75 868 a-Alanine, conf. I
365787.7250 0.6463 -5.2105 3 552.7082405 89502 303674423 664422 a-Alanine, conf. I
365787.7250 0.6463 -5.2105 3 552.7082405 89502 303674424 664423 a-Alanine, conf. I
365874.0354 7.8826 -5.7436 3 798.1184531 89502 303883455 873552 a-Alanine, conf. I
365914.0447 0.9942 -4.6012 3 423.0306393 89502 303652244 642143 a-Alanine, conf. I
366042.1801 0.6735 -5.1814 3 546.0118405 89502 303674324 664323 a-Alanine, conf. I
366042.1801 0.6735 -5.1814 3 546.0118405 89502 303674325 664324 a-Alanine, conf. I
366094.5206 2.2893 -4.6971 3 438.3945399 89502 303662244 652343 a-Alanine, conf. I
366102.6024 1.1782 -4.9006 3 467.0403399 89502 303663136 653135 a-Alanine, conf. I
366102.6730 1.1783 -4.9006 3 467.0403399 89502 303663135 653134 a-Alanine, conf. I
366183.1920 0.4970 -4.4099 3 456.0102417 89502 303691752 681851 a-Alanine, conf. I
366183.2053 0.4970 -4.8042 3 456.0102417 89502 303691852 681851 a-Alanine, conf. I
366183.2223 0.4970 -4.8042 3 456.0102417 89502 303691752 681751 a-Alanine, conf. I
366183.2356 0.4970 -4.4099 3 456.0102417 89502 303691852 681751 a-Alanine, conf. I
366192.0903 0.5486 -5.2069 3 140.6273237 89502 303391029 38 930 a-Alanine, conf. I
366212.0169 0.5465 -5.2068 3 140.6273237 89502 303391129 38 830 a-Alanine, conf. I
366273.2556 0.3429 -5.4477 3 207.0492297 89502 30349 742 48 642 a-Alanine, conf. I
366273.2556 0.3429 -5.4477 3 207.0492297 89502 30349 842 48 742 a-Alanine, conf. I
366283.6099 0.4847 -4.8029 3 479.2246447 89502 303741064 731063 a-Alanine, conf. I
366283.6099 0.4847 -4.2639 3 479.2246447 89502 303741064 731163 a-Alanine, conf. I
366283.6099 0.4847 -4.2639 3 479.2246447 89502 303741164 731063 a-Alanine, conf. I
366283.6099 0.4847 -4.8029 3 479.2246447 89502 303741164 731163 a-Alanine, conf. I
366290.9451 0.6682 -4.7755 3 426.1763393 89502 303652343 642342 a-Alanine, conf. I
366318.0504 0.7041 -5.1533 3 539.4829405 89502 303674225 664224 a-Alanine, conf. I
366318.0504 0.7041 -5.1533 3 539.4829405 89502 303674226 664225 a-Alanine, conf. I
366370.3059 0.0965 -5.1175 3 222.1823255 89502 303423012 412912 a-Alanine, conf. I
366370.3059 0.0965 -4.0233 3 222.1823255 89502 303423012 412913 a-Alanine, conf. I
366370.3059 0.0965 -4.0233 3 222.1823255 89502 303423013 412912 a-Alanine, conf. I
366370.3059 0.0965 -5.1175 3 222.1823255 89502 303423013 412913 a-Alanine, conf. I
366443.2180 0.7461 -4.7786 3 491.4662477 89502 30379 376 78 375 a-Alanine, conf. I
366443.2180 0.7461 -4.1642 3 491.4662477 89502 30379 376 78 475 a-Alanine, conf. I
366443.2180 0.7461 -4.1642 3 491.4662477 89502 30379 476 78 375 a-Alanine, conf. I
366443.2180 0.7461 -4.7786 3 491.4662477 89502 30379 476 78 475 a-Alanine, conf. I
366479.8550 0.7059 -4.5945 3 435.2362399 89502 303662145 652244 a-Alanine, conf. I
366493.6927 1.5534 -4.8070 3 435.3080393 89502 303652640 642639 a-Alanine, conf. I
366617.8103 0.7378 -5.1264 3 533.1227405 89502 303674126 664125 a-Alanine, conf. I
366617.8103 0.7378 -5.1264 3 533.1227405 89502 303674127 664126 a-Alanine, conf. I
366757.7452 0.4991 -4.8081 3 472.4123435 89502 303721359 711358 a-Alanine, conf. I
366757.7452 0.4991 -4.3173 3 472.4123435 89502 303721359 711458 a-Alanine, conf. I
366757.7452 0.4991 -4.3173 3 472.4123435 89502 303721459 711358 a-Alanine, conf. I
366757.7452 0.4991 -4.8081 3 472.4123435 89502 303721459 711458 a-Alanine, conf. I
366793.6126 0.5738 -5.2917 3 234.4344303 89502 303501238 491138 a-Alanine, conf. I
366793.8779 0.5738 -5.2917 3 234.4344303 89502 303501338 491238 a-Alanine, conf. I
366915.2360 0.2366 -5.1999 3 266.1783309 89502 303512131 502031 a-Alanine, conf. I
366944.3533 0.7744 -5.1003 3 526.9327405 89502 303674027 664026 a-Alanine, conf. I
366944.3533 0.7744 -5.1003 3 526.9327405 89502 303674028 664027 a-Alanine, conf. I
367005.0761 0.1053 -5.1264 3 225.4515261 89502 303432914 422814 a-Alanine, conf. I
367005.0761 0.1053 -4.0490 3 225.4515261 89502 303432914 422815 a-Alanine, conf. I
367005.0761 0.1053 -4.0490 3 225.4515261 89502 303432915 422814 a-Alanine, conf. I
367005.0761 0.1053 -5.1264 3 225.4515261 89502 303432915 422815 a-Alanine, conf. I
367042.7771 1.2613 -4.8815 3 462.6769399 89502 303663037 653036 a-Alanine, conf. I
367043.4895 1.2618 -4.8815 3 462.6769399 89502 303663036 653035 a-Alanine, conf. I
367076.3239 1.8854 -4.7313 3 403.1651381 89502 303632340 622339 a-Alanine, conf. I
367089.6431 0.5448 -4.7926 3 489.2628465 89502 30377 671 76 670 a-Alanine, conf. I
367089.6431 0.5448 -4.2057 3 489.2628465 89502 30377 671 76 770 a-Alanine, conf. I
367089.6431 0.5448 -4.2057 3 489.2628465 89502 30377 771 76 670 a-Alanine, conf. I
367089.6431 0.5448 -4.7926 3 489.2628465 89502 30377 771 76 770 a-Alanine, conf. I
367180.6366 0.5180 -5.2084 3 276.0477315 89502 303522131 512031 a-Alanine, conf. I
367301.0917 0.8139 -5.0752 3 520.9143405 89502 303673928 663927 a-Alanine, conf. I
367301.0917 0.8139 -5.0752 3 520.9143405 89502 303673929 663928 a-Alanine, conf. I
367351.1153 0.4912 -4.7841 3 435.2362399 89502 303662245 652244 a-Alanine, conf. I
367355.4998 0.3630 -5.4988 3 202.8519297 89502 30349 643 48 543 a-Alanine, conf. I
367355.4998 0.3630 -5.4988 3 202.8519297 89502 30349 743 48 643 a-Alanine, conf. I
367371.5831 0.5045 -4.3835 3 463.5204423 89502 303701654 691753 a-Alanine, conf. I
367371.5835 0.5045 -4.8083 3 463.5204423 89502 303701754 691753 a-Alanine, conf. I
367371.5840 0.5045 -4.8083 3 463.5204423 89502 303701654 691653 a-Alanine, conf. I
367371.5845 0.5045 -4.3835 3 463.5204423 89502 303701754 691653 a-Alanine, conf. I
367385.3429 1.5804 -5.2284 3 268.2034315 89502 303521735 511635 a-Alanine, conf. I
367439.3985 1.9526 -4.8047 3 435.3428393 89502 303652639 642638 a-Alanine, conf. I
367548.9436 0.1339 -5.0645 3 216.6319225 89502 3033736 1 3635 1 a-Alanine, conf. I
367548.9436 0.1339 -3.9036 3 216.6319225 89502 3033736 1 3635 2 a-Alanine, conf. I
367548.9436 0.1339 -3.9036 3 216.6319225 89502 3033736 2 3635 1 a-Alanine, conf. I
367548.9436 0.1339 -5.0645 3 216.6319225 89502 3033736 2 3635 2 a-Alanine, conf. I
367548.9885 0.1660 -4.3474 3 259.4750303 89502 303502229 492128 a-Alanine, conf. I
367570.8966 3.8363 -5.6909 3 757.2795519 89502 303863255 853352 a-Alanine, conf. I
367593.6962 0.1150 -5.1354 3 229.0928267 89502 303442816 432716 a-Alanine, conf. I
367593.6962 0.1150 -4.0769 3 229.0928267 89502 303442816 432717 a-Alanine, conf. I
367593.6962 0.1150 -4.0769 3 229.0928267 89502 303442817 432716 a-Alanine, conf. I
367593.6962 0.1150 -5.1354 3 229.0928267 89502 303442817 432717 a-Alanine, conf. I
367616.5036 0.4902 -4.8031 3 485.1043453 89502 30375 966 74 965 a-Alanine, conf. I
367616.5036 0.4902 -4.2503 3 485.1043453 89502 30375 966 741065 a-Alanine, conf. I
367616.5036 0.4902 -4.2503 3 485.1043453 89502 303751066 74 965 a-Alanine, conf. I
367616.5036 0.4902 -4.8031 3 485.1043453 89502 303751066 741065 a-Alanine, conf. I
367645.5577 0.1654 -5.1912 3 259.4750303 89502 303502228 492128 a-Alanine, conf. I
367674.0297 0.8630 -4.7763 3 495.8219483 89502 30380 278 79 277 a-Alanine, conf. I
367674.0297 0.8630 -4.1538 3 495.8219483 89502 30380 278 79 377 a-Alanine, conf. I
367674.0297 0.8630 -4.1538 3 495.8219483 89502 30380 378 79 277 a-Alanine, conf. I
367674.0297 0.8630 -4.7763 3 495.8219483 89502 30380 378 79 377 a-Alanine, conf. I
367692.0891 0.8562 -5.0510 3 515.0695405 89502 303673829 663828 a-Alanine, conf. I
367692.0891 0.8562 -5.0510 3 515.0695405 89502 303673830 663829 a-Alanine, conf. I
367704.4922 0.9328 -5.2440 3 253.1353309 89502 303511536 501436 a-Alanine, conf. I
367725.1407 0.9689 -5.2152 3 270.8606315 89502 303521934 511834 a-Alanine, conf. I
367770.4443 0.4944 -4.5246 3 443.9637405 89502 303672047 662146 a-Alanine, conf. I
367798.1976 6.6812 -5.7072 3 777.4916525 89502 303873355 863452 a-Alanine, conf. I
367824.1971 0.9064 -5.2437 3 253.1366309 89502 303511636 501536 a-Alanine, conf. I
367834.1500 0.4893 -4.7935 3 443.9637405 89502 303672147 662146 a-Alanine, conf. I
367889.2284 1.4467 -4.7909 3 432.1066393 89502 303652541 642540 a-Alanine, conf. I
367894.2197 0.1763 -5.1906 3 259.4634303 89502 303502229 492129 a-Alanine, conf. I
367897.5115 0.4868 -4.7934 3 443.9595405 89502 303672047 662046 a-Alanine, conf. I
367961.2172 0.4857 -4.5241 3 443.9595405 89502 303672147 662046 a-Alanine, conf. I
367990.7890 0.1866 -4.3465 3 259.4634303 89502 303502228 492129 a-Alanine, conf. I
368057.1223 1.0774 -4.7797 3 429.1109393 89502 303652442 642441 a-Alanine, conf. I
368087.4652 0.5001 -4.8097 3 478.9679441 89502 303731261 721260 a-Alanine, conf. I
368087.4652 0.5001 -4.3004 3 478.9679441 89502 303731261 721360 a-Alanine, conf. I
368087.4652 0.5001 -4.3004 3 478.9679441 89502 303731361 721260 a-Alanine, conf. I
368087.4652 0.5001 -4.8097 3 478.9679441 89502 303731361 721360 a-Alanine, conf. I
368088.6175 0.4892 -4.7821 3 435.1825399 89502 303662145 652144 a-Alanine, conf. I
368116.6248 0.3608 -5.3782 3 128.3483231 89502 30338 830 37 731 a-Alanine, conf. I
368116.7571 0.1253 -5.1444 3 233.1145273 89502 303452718 442618 a-Alanine, conf. I
368116.7571 0.1253 -4.1076 3 233.1145273 89502 303452718 442619 a-Alanine, conf. I
368116.7571 0.1253 -4.1076 3 233.1145273 89502 303452719 442618 a-Alanine, conf. I
368116.7571 0.1253 -5.1444 3 233.1145273 89502 303452719 442619 a-Alanine, conf. I
368116.8919 0.3608 -5.3782 3 128.3483231 89502 30338 930 37 631 a-Alanine, conf. I
368122.2387 0.9016 -5.0276 3 509.4002405 89502 303673730 663729 a-Alanine, conf. I
368122.2387 0.9016 -5.0276 3 509.4002405 89502 303673731 663730 a-Alanine, conf. I
368150.8921 1.3599 -4.8628 3 458.5291399 89502 303662938 652937 a-Alanine, conf. I
368157.2279 1.3636 -4.8628 3 458.5292399 89502 303662937 652936 a-Alanine, conf. I
368233.4413 0.6187 -5.2077 3 273.3300315 89502 303522033 511933 a-Alanine, conf. I
368262.2555 0.5801 -4.7462 3 413.4570387 89502 303642242 632241 a-Alanine, conf. I
368277.8316 0.1110 -5.0729 3 217.9508231 89502 3033835 3 3734 3 a-Alanine, conf. I
368277.8316 0.1110 -3.9215 3 217.9508231 89502 3033835 3 3734 4 a-Alanine, conf. I
368277.8316 0.1110 -3.9215 3 217.9508231 89502 3033835 4 3734 3 a-Alanine, conf. I
368277.8316 0.1110 -5.0729 3 217.9508231 89502 3033835 4 3734 4 a-Alanine, conf. I
368356.8339 0.5201 -4.4443 3 266.1783309 89502 303512130 502031 a-Alanine, conf. I
368358.8490 0.4025 -5.5621 3 198.5173297 89502 30349 544 48 444 a-Alanine, conf. I
368358.8490 0.4025 -5.5621 3 198.5173297 89502 30349 644 48 544 a-Alanine, conf. I
368375.0596 0.6017 -4.7914 3 494.2770471 89502 30378 573 77 572 a-Alanine, conf. I
368375.0596 0.6017 -4.1945 3 494.2770471 89502 30378 573 77 672 a-Alanine, conf. I
368375.0596 0.6017 -4.1945 3 494.2770471 89502 30378 673 77 572 a-Alanine, conf. I
368375.0596 0.6017 -4.7914 3 494.2770471 89502 30378 673 77 672 a-Alanine, conf. I
368407.8576 0.9435 -4.9986 3 172.4196255 89502 303421528 411229 a-Alanine, conf. I
368487.8345 4.0984 -4.6798 3 363.9132363 89502 303602239 592138 a-Alanine, conf. I
368524.8991 0.4967 -5.3134 3 230.8742303 89502 303501139 491039 a-Alanine, conf. I
368524.9185 0.4967 -5.3134 3 230.8742303 89502 303501239 491139 a-Alanine, conf. I
368545.4612 0.1362 -4.1417 3 237.5268279 89502 303462621 452520 a-Alanine, conf. I
368545.4613 0.1362 -5.1534 3 237.5268279 89502 303462620 452520 a-Alanine, conf. I
368545.4616 0.1362 -5.1534 3 237.5268279 89502 303462621 452521 a-Alanine, conf. I
368545.4617 0.1362 -4.1417 3 237.5268279 89502 303462620 452521 a-Alanine, conf. I
368553.6213 0.4992 -4.4777 3 452.3456411 89502 303681949 672048 a-Alanine, conf. I
368557.1761 0.4990 -4.8012 3 452.3456411 89502 303682049 672048 a-Alanine, conf. I
368559.0628 0.2751 -5.6176 3 116.0545225 89502 30337 631 36 532 a-Alanine, conf. I
368559.0646 0.2751 -5.6176 3 116.0545225 89502 30337 731 36 432 a-Alanine, conf. I
368561.1274 0.4989 -4.8012 3 452.3454411 89502 303681949 671948 a-Alanine, conf. I
368564.6822 0.4988 -4.4776 3 452.3454411 89502 303682049 671948 a-Alanine, conf. I
368597.5103 0.9502 -5.0050 3 503.9090405 89502 303673631 663630 a-Alanine, conf. I
368597.5103 0.9502 -5.0050 3 503.9090405 89502 303673632 663631 a-Alanine, conf. I
368624.4541 0.5106 -4.3607 3 470.7898429 89502 303711556 701655 a-Alanine, conf. I
368624.4541 0.5106 -4.8116 3 470.7898429 89502 303711656 701655 a-Alanine, conf. I
368624.4542 0.5106 -4.8116 3 470.7898429 89502 303711556 701555 a-Alanine, conf. I
368624.4542 0.5106 -4.3607 3 470.7898429 89502 303711656 701555 a-Alanine, conf. I
368638.4202 0.1667 -4.2783 3 253.2781297 89502 303492327 482226 a-Alanine, conf. I
368642.8763 0.1671 -5.1810 3 253.2781297 89502 303492326 482226 a-Alanine, conf. I
368656.7800 0.1682 -5.1810 3 253.2775297 89502 303492327 482227 a-Alanine, conf. I
368661.2362 0.1686 -4.2782 3 253.2775297 89502 303492326 482227 a-Alanine, conf. I
368835.3309 0.1477 -4.1801 3 242.3438285 89502 303472523 462422 a-Alanine, conf. I
368835.3346 0.1477 -5.1625 3 242.3438285 89502 303472522 462422 a-Alanine, conf. I
368835.3498 0.1477 -5.1625 3 242.3438285 89502 303472523 462423 a-Alanine, conf. I
368835.3534 0.1477 -4.1801 3 242.3438285 89502 303472522 462423 a-Alanine, conf. I
368881.8499 1.0007 -4.7737 3 499.9706489 89502 30381 180 80 179 a-Alanine, conf. I
368881.8499 1.0007 -4.1438 3 499.9706489 89502 30381 180 80 279 a-Alanine, conf. I
368881.8499 1.0007 -4.1438 3 499.9706489 89502 30381 280 80 179 a-Alanine, conf. I
368881.8499 1.0007 -4.7737 3 499.9706489 89502 30381 280 80 279 a-Alanine, conf. I
368913.1924 0.1589 -4.2247 3 247.5847291 89502 303482425 472324 a-Alanine, conf. I
368913.3412 0.1589 -5.1717 3 247.5847291 89502 303482424 472324 a-Alanine, conf. I
368913.8822 0.1590 -5.1717 3 247.5846291 89502 303482425 472325 a-Alanine, conf. I
368914.0310 0.1590 -4.2247 3 247.5846291 89502 303482424 472325 a-Alanine, conf. I
368940.6152 0.5032 -4.8030 3 490.7775459 89502 30376 868 75 867 a-Alanine, conf. I
368940.6152 0.5032 -4.2375 3 490.7775459 89502 30376 868 75 967 a-Alanine, conf. I
368940.6152 0.5032 -4.2375 3 490.7775459 89502 30376 968 75 867 a-Alanine, conf. I
368940.6152 0.5032 -4.8030 3 490.7775459 89502 30376 968 75 967 a-Alanine, conf. I
368941.3582 2.1266 -5.2259 3 280.4581321 89502 303531835 521735 a-Alanine, conf. I
368959.8778 0.6965 -4.5878 3 435.1825399 89502 303662245 652144 a-Alanine, conf. I
369000.3388 0.0963 -5.0814 3 219.6191237 89502 3033934 5 3833 5 a-Alanine, conf. I
369000.3388 0.0963 -3.9404 3 219.6191237 89502 3033934 5 3833 6 a-Alanine, conf. I
369000.3388 0.0963 -3.9404 3 219.6191237 89502 3033934 6 3833 5 a-Alanine, conf. I
369000.3388 0.0963 -5.0814 3 219.6191237 89502 3033934 6 3833 6 a-Alanine, conf. I
369104.3217 0.7483 -5.7722 3 675.7555411 89502 303685810 6758 9 a-Alanine, conf. I
369104.3217 0.7483 -5.7722 3 675.7555411 89502 303685811 675810 a-Alanine, conf. I
369125.2999 1.0026 -4.9831 3 498.5989405 89502 303673532 663531 a-Alanine, conf. I
369125.2999 1.0026 -4.9831 3 498.5989405 89502 303673533 663532 a-Alanine, conf. I
369146.7834 11.2100 -5.7347 3 798.1090531 89502 303883454 873553 a-Alanine, conf. I
369185.2335 2.3602 -5.2215 3 292.7647327 89502 303541935 531835 a-Alanine, conf. I
369202.9763 0.7134 -5.7153 3 666.7891411 89502 303685711 675710 a-Alanine, conf. I
369202.9763 0.7134 -5.7153 3 666.7891411 89502 303685712 675711 a-Alanine, conf. I
369293.8193 0.4561 -5.6430 3 194.0478297 89502 30349 445 48 345 a-Alanine, conf. I
369293.8193 0.4561 -5.6430 3 194.0478297 89502 30349 545 48 445 a-Alanine, conf. I
369308.4202 0.6825 -5.6625 3 657.9825411 89502 303685612 675611 a-Alanine, conf. I
369308.4202 0.6825 -5.6625 3 657.9825411 89502 303685613 675612 a-Alanine, conf. I
369421.1491 0.6558 -5.6129 3 649.3359411 89502 303685513 675512 a-Alanine, conf. I
369421.1491 0.6558 -5.6129 3 649.3359411 89502 303685514 675513 a-Alanine, conf. I
369423.2289 0.5007 -4.8109 3 485.3103447 89502 303741163 731162 a-Alanine, conf. I
369423.2289 0.5007 -4.2851 3 485.3103447 89502 303741163 731262 a-Alanine, conf. I
369423.2289 0.5007 -4.2851 3 485.3103447 89502 303741263 731162 a-Alanine, conf. I
369423.2289 0.5007 -4.8109 3 485.3103447 89502 303741263 731262 a-Alanine, conf. I
369477.5713 1.4767 -4.8444 3 454.6108399 89502 303662839 652838 a-Alanine, conf. I
369518.2795 0.5080 -4.4414 3 460.4220417 89502 303691851 681950 a-Alanine, conf. I
369518.4378 0.5080 -4.8074 3 460.4220417 89502 303691951 681950 a-Alanine, conf. I
369518.6297 0.5080 -4.8074 3 460.4220417 89502 303691851 681850 a-Alanine, conf. I
369518.7879 0.5080 -4.4414 3 460.4220417 89502 303691951 681850 a-Alanine, conf. I
369526.5014 1.5028 -4.8443 3 454.6122399 89502 303662838 652837 a-Alanine, conf. I
369541.7092 0.6338 -5.5663 3 640.8497411 89502 303685414 675413 a-Alanine, conf. I
369541.7092 0.6338 -5.5663 3 640.8497411 89502 303685415 675414 a-Alanine, conf. I
369641.7761 0.6793 -4.7899 3 499.0861477 89502 30379 475 78 474 a-Alanine, conf. I
369641.7761 0.6793 -4.1837 3 499.0861477 89502 30379 475 78 574 a-Alanine, conf. I
369641.7761 0.6793 -4.1837 3 499.0861477 89502 30379 575 78 474 a-Alanine, conf. I
369641.7761 0.6793 -4.7899 3 499.0861477 89502 30379 575 78 574 a-Alanine, conf. I
369670.7037 0.6167 -5.5223 3 632.5243411 89502 303685315 675314 a-Alanine, conf. I
369670.7037 0.6167 -5.5223 3 632.5243411 89502 303685316 675315 a-Alanine, conf. I
369674.4225 0.6489 -5.2114 3 286.0318321 89502 303532132 522032 a-Alanine, conf. I
369713.5256 0.0900 -5.0900 3 221.6394243 89502 3034033 7 3932 7 a-Alanine, conf. I
369713.5256 0.0900 -3.9604 3 221.6394243 89502 3034033 7 3932 8 a-Alanine, conf. I
369713.5256 0.0900 -3.9604 3 221.6394243 89502 3034033 8 3932 7 a-Alanine, conf. I
369713.5256 0.0900 -5.0900 3 221.6394243 89502 3034033 8 3932 8 a-Alanine, conf. I
369714.9392 1.0595 -4.9620 3 493.4732405 89502 303673434 663433 a-Alanine, conf. I
369714.9393 1.0595 -4.9620 3 493.4732405 89502 303673433 663432 a-Alanine, conf. I
369808.8010 0.6047 -5.4806 3 624.3600411 89502 303685216 675215 a-Alanine, conf. I
369808.8010 0.6047 -5.4806 3 624.3600411 89502 303685217 675216 a-Alanine, conf. I
369846.2985 1.1107 -5.2234 3 268.2413315 89502 303521835 511735 a-Alanine, conf. I
369887.6428 1.7932 -4.5672 3 263.7095309 89502 303512031 501932 a-Alanine, conf. I
369917.5480 0.5148 -4.8144 3 477.8291435 89502 303721458 711457 a-Alanine, conf. I
369917.5480 0.5148 -4.3407 3 477.8291435 89502 303721458 711557 a-Alanine, conf. I
369917.5480 0.5148 -4.3407 3 477.8291435 89502 303721558 711457 a-Alanine, conf. I
369917.5480 0.5148 -4.8144 3 477.8291435 89502 303721558 711557 a-Alanine, conf. I
369956.7429 0.5982 -5.4409 3 616.3573411 89502 303685117 675116 a-Alanine, conf. I
369956.7429 0.5982 -5.4409 3 616.3573411 89502 303685118 675117 a-Alanine, conf. I
369981.2841 0.6859 -5.1392 3 150.2018243 89502 303401129 391030 a-Alanine, conf. I
370065.4363 1.1588 -4.7709 3 503.9109495 89502 30382 082 81 081 a-Alanine, conf. I
370065.4363 1.1588 -4.1339 3 503.9109495 89502 30382 082 81 181 a-Alanine, conf. I
370065.4363 1.1588 -4.1339 3 503.9109495 89502 30382 182 81 081 a-Alanine, conf. I
370065.4363 1.1588 -4.7709 3 503.9109495 89502 30382 182 81 181 a-Alanine, conf. I
370067.9222 0.4342 -5.3389 3 227.1555303 89502 303501040 49 940 a-Alanine, conf. I
370067.9234 0.4342 -5.3389 3 227.1555303 89502 303501140 491040 a-Alanine, conf. I
370073.8466 0.6756 -5.1390 3 150.2018243 89502 303401229 39 930 a-Alanine, conf. I
370095.9971 2.7354 -4.7541 3 417.4772387 89502 303642440 632439 a-Alanine, conf. I
370115.3562 0.5970 -5.4030 3 608.5167411 89502 303685018 675017 a-Alanine, conf. I
370115.3562 0.5970 -5.4030 3 608.5167411 89502 303685019 675018 a-Alanine, conf. I
370168.9812 0.5197 -5.7519 3 189.4453297 89502 30349 346 48 246 a-Alanine, conf. I
370168.9812 0.5197 -5.7519 3 189.4453297 89502 30349 446 48 346 a-Alanine, conf. I
370252.6051 0.5279 -4.8026 3 496.2452465 89502 30377 770 76 769 a-Alanine, conf. I
370252.6051 0.5279 -4.2256 3 496.2452465 89502 30377 770 76 869 a-Alanine, conf. I
370252.6051 0.5279 -4.2256 3 496.2452465 89502 30377 870 76 769 a-Alanine, conf. I
370252.6051 0.5279 -4.8026 3 496.2452465 89502 30377 870 76 869 a-Alanine, conf. I
370285.5648 0.6013 -5.3668 3 600.8386411 89502 303684919 674918 a-Alanine, conf. I
370285.5648 0.6013 -5.3668 3 600.8386411 89502 303684920 674919 a-Alanine, conf. I
370378.4679 1.1218 -4.9415 3 488.5365405 89502 303673335 663334 a-Alanine, conf. I
370378.4692 1.1218 -4.9415 3 488.5365405 89502 303673334 663333 a-Alanine, conf. I
370391.0275 0.7896 -5.2567 3 249.9969309 89502 303511437 501337 a-Alanine, conf. I
370405.1396 0.7864 -5.2567 3 249.9970309 89502 303511537 501437 a-Alanine, conf. I
370413.3669 0.0907 -5.0988 3 224.0145249 89502 3034132 9 4031 9 a-Alanine, conf. I
370413.3669 0.0907 -3.9817 3 224.0145249 89502 3034132 9 403110 a-Alanine, conf. I
370413.3669 0.0907 -3.9817 3 224.0145249 89502 303413210 4031 9 a-Alanine, conf. I
370413.3669 0.0907 -5.0988 3 224.0145249 89502 303413210 403110 a-Alanine, conf. I
370468.4051 0.6106 -5.3322 3 593.3237411 89502 303684820 674819 a-Alanine, conf. I
370468.4051 0.6106 -5.3322 3 593.3237411 89502 303684821 674820 a-Alanine, conf. I
370629.3760 0.5163 -4.4119 3 468.2247423 89502 303701753 691852 a-Alanine, conf. I
370629.3818 0.5163 -4.8125 3 468.2247423 89502 303701853 691852 a-Alanine, conf. I
370629.3893 0.5163 -4.8125 3 468.2247423 89502 303701753 691752 a-Alanine, conf. I
370629.3950 0.5163 -4.4119 3 468.2247423 89502 303701853 691752 a-Alanine, conf. I
370665.0437 0.6249 -5.2990 3 585.9726411 89502 303684721 674720 a-Alanine, conf. I
370665.0437 0.6249 -5.2990 3 585.9726411 89502 303684722 674721 a-Alanine, conf. I
370758.4766 0.5026 -4.8117 3 491.4425453 89502 303751065 741064 a-Alanine, conf. I
370758.4766 0.5026 -4.2710 3 491.4425453 89502 303751065 741164 a-Alanine, conf. I
370758.4766 0.5026 -4.2710 3 491.4425453 89502 303751165 741064 a-Alanine, conf. I
370758.4766 0.5026 -4.8117 3 491.4425453 89502 303751165 741164 a-Alanine, conf. I
370876.7999 0.6437 -5.2671 3 578.7860411 89502 303684622 674621 a-Alanine, conf. I
370876.7999 0.6437 -5.2671 3 578.7860411 89502 303684623 674622 a-Alanine, conf. I
370888.0561 0.7784 -4.7881 3 503.6895483 89502 30380 377 79 376 a-Alanine, conf. I
370888.0561 0.7784 -4.1734 3 503.6895483 89502 30380 377 79 476 a-Alanine, conf. I
370888.0561 0.7784 -4.1734 3 503.6895483 89502 30380 477 79 376 a-Alanine, conf. I
370888.0561 0.7784 -4.7881 3 503.6895483 89502 30380 477 79 476 a-Alanine, conf. I
370922.1135 0.6036 -4.7831 3 438.3945399 89502 303662344 652343 a-Alanine, conf. I
370971.3742 3.1897 -4.8716 3 220.1968285 89502 303471730 461631 a-Alanine, conf. I
371026.9148 2.1785 -4.9685 3 190.4181267 89502 303441529 431430 a-Alanine, conf. I
371051.1695 1.5942 -4.8263 3 450.9399399 89502 303662740 652739 a-Alanine, conf. I
371094.3378 0.0962 -5.1076 3 226.7480255 89502 303423111 413011 a-Alanine, conf. I
371094.3378 0.0962 -4.0044 3 226.7480255 89502 303423111 413012 a-Alanine, conf. I
371094.3378 0.0962 -4.0044 3 226.7480255 89502 303423112 413011 a-Alanine, conf. I
371094.3378 0.0962 -5.1076 3 226.7480255 89502 303423112 413012 a-Alanine, conf. I
371105.1722 0.6667 -5.2365 3 571.7647411 89502 303684523 674522 a-Alanine, conf. I
371105.1722 0.6667 -5.2365 3 571.7647411 89502 303684524 674523 a-Alanine, conf. I
371107.3771 2.8949 -4.6889 3 251.8996303 89502 303501931 491832 a-Alanine, conf. I
371131.8490 1.1912 -4.9216 3 483.7939405 89502 303673236 663235 a-Alanine, conf. I
371131.8648 1.1912 -4.9216 3 483.7939405 89502 303673235 663234 a-Alanine, conf. I
371187.5274 0.5913 -4.5806 3 447.4897405 89502 303672146 662245 a-Alanine, conf. I
371221.7238 0.7263 -4.7601 3 425.7409393 89502 303652243 642242 a-Alanine, conf. I
371234.7012 0.5172 -4.8167 3 484.6460441 89502 303731360 721359 a-Alanine, conf. I
371234.7012 0.5172 -4.3229 3 484.6460441 89502 303731360 721459 a-Alanine, conf. I
371234.7012 0.5172 -4.3229 3 484.6460441 89502 303731460 721359 a-Alanine, conf. I
371234.7012 0.5172 -4.8167 3 484.6460441 89502 303731460 721459 a-Alanine, conf. I
371262.6138 1.7010 -5.2129 3 305.0793333 89502 303552035 541935 a-Alanine, conf. I
371351.8710 0.6934 -5.2070 3 564.9096411 89502 303684424 674423 a-Alanine, conf. I
371351.8710 0.6934 -5.2070 3 564.9096411 89502 303684425 674424 a-Alanine, conf. I
371370.9795 1.7486 -4.8255 3 450.9506399 89502 303662739 652738 a-Alanine, conf. I
371460.2343 0.3892 -5.3688 3 223.2847303 89502 30350 941 49 841 a-Alanine, conf. I
371460.2343 0.3892 -5.3688 3 223.2847303 89502 303501041 49 941 a-Alanine, conf. I
371480.5067 8.5838 -5.7985 3 835.7472543 89502 303903556 893653 a-Alanine, conf. I
371524.4606 7.2056 -4.9149 3 482.3496417 89502 303692445 682544 a-Alanine, conf. I
371549.7328 0.5685 -4.8019 3 501.5076471 89502 30378 672 77 671 a-Alanine, conf. I
371549.7328 0.5685 -4.2142 3 501.5076471 89502 30378 672 77 771 a-Alanine, conf. I
371549.7328 0.5685 -4.2142 3 501.5076471 89502 30378 772 77 671 a-Alanine, conf. I
371549.7328 0.5685 -4.8019 3 501.5076471 89502 30378 772 77 771 a-Alanine, conf. I
371618.8602 0.7237 -5.1786 3 558.2216411 89502 303684325 674324 a-Alanine, conf. I
371618.8602 0.7237 -5.1786 3 558.2216411 89502 303684326 674325 a-Alanine, conf. I
371649.3479 0.5032 -4.7929 3 447.4897405 89502 303672246 662245 a-Alanine, conf. I
371748.8091 0.1044 -5.1165 3 229.8444261 89502 303433013 422913 a-Alanine, conf. I
371748.8091 0.1044 -4.0289 3 229.8444261 89502 303433013 422914 a-Alanine, conf. I
371748.8091 0.1044 -4.0289 3 229.8444261 89502 303433014 422913 a-Alanine, conf. I
371748.8091 0.1044 -5.1165 3 229.8444261 89502 303433014 422914 a-Alanine, conf. I
371832.8046 0.5237 -4.3869 3 475.7746429 89502 303711655 701754 a-Alanine, conf. I
371832.8048 0.5237 -4.8168 3 475.7746429 89502 303711755 701754 a-Alanine, conf. I
371832.8051 0.5237 -4.8168 3 475.7746429 89502 303711655 701654 a-Alanine, conf. I
371832.8052 0.5237 -4.3869 3 475.7746429 89502 303711755 701654 a-Alanine, conf. I
371886.0492 2.7274 -4.7807 3 432.2936393 89502 303652540 642539 a-Alanine, conf. I
371908.4083 0.7572 -5.1513 3 551.7019411 89502 303684226 674225 a-Alanine, conf. I
371908.4083 0.7572 -5.1513 3 551.7019411 89502 303684227 674226 a-Alanine, conf. I
371910.1781 0.3081 -5.2004 3 275.7973315 89502 303522132 512032 a-Alanine, conf. I
371944.3441 0.6098 -5.2128 3 296.2729327 89502 303542133 532033 a-Alanine, conf. I
371964.1694 0.1969 -4.3704 3 268.8614309 89502 303512230 502129 a-Alanine, conf. I
371996.9594 1.2701 -4.9022 3 479.2522405 89502 303673137 663136 a-Alanine, conf. I
371997.1291 1.2702 -4.9022 3 479.2522405 89502 303673136 663135 a-Alanine, conf. I
372058.7876 0.4952 -4.7918 3 447.4606405 89502 303672146 662145 a-Alanine, conf. I
372088.1692 0.5089 -4.8122 3 497.3667459 89502 30376 967 75 966 a-Alanine, conf. I
372088.1692 0.5089 -4.2579 3 497.3667459 89502 30376 967 751066 a-Alanine, conf. I
372088.1692 0.5089 -4.2579 3 497.3667459 89502 303761067 75 966 a-Alanine, conf. I
372088.1692 0.5089 -4.8122 3 497.3667459 89502 303761067 751066 a-Alanine, conf. I
372112.3749 0.8989 -4.7861 3 508.0862489 89502 30381 279 80 278 a-Alanine, conf. I
372112.3749 0.8989 -4.1634 3 508.0862489 89502 30381 279 80 378 a-Alanine, conf. I
372112.3749 0.8989 -4.1634 3 508.0862489 89502 30381 379 80 278 a-Alanine, conf. I
372112.3749 0.8989 -4.7861 3 508.0862489 89502 30381 379 80 378 a-Alanine, conf. I
372128.3192 0.5109 -4.5195 3 456.2334411 89502 303682048 672147 a-Alanine, conf. I
372159.8127 0.5088 -4.8023 3 456.2334411 89502 303682148 672147 a-Alanine, conf. I
372175.0534 0.1781 -5.1923 3 268.8614309 89502 303512229 502129 a-Alanine, conf. I
372192.0249 0.5075 -4.8022 3 456.2312411 89502 303682048 672047 a-Alanine, conf. I
372223.1539 0.7937 -5.1249 3 545.3518411 89502 303684127 674126 a-Alanine, conf. I
372223.1539 0.7937 -5.1249 3 545.3518411 89502 303684128 674127 a-Alanine, conf. I
372223.5184 0.5064 -4.5193 3 456.2312411 89502 303682148 672047 a-Alanine, conf. I
372236.4318 0.1545 -5.0553 3 222.1847225 89502 3033737 0 3636 0 a-Alanine, conf. I
372236.4318 0.1545 -3.8900 3 222.1847225 89502 3033737 0 3636 1 a-Alanine, conf. I
372236.4318 0.1545 -3.8900 3 222.1847225 89502 3033737 1 3636 0 a-Alanine, conf. I
372236.4318 0.1545 -5.0553 3 222.1847225 89502 3033737 1 3636 1 a-Alanine, conf. I
372366.1347 0.1138 -5.1255 3 233.3090267 89502 303442915 432815 a-Alanine, conf. I
372366.1347 0.1138 -4.0553 3 233.3090267 89502 303442915 432816 a-Alanine, conf. I
372366.1347 0.1138 -4.0553 3 233.3090267 89502 303442916 432815 a-Alanine, conf. I
372366.1347 0.1138 -5.1255 3 233.3090267 89502 303442916 432816 a-Alanine, conf. I
372457.7898 1.1469 -5.2334 3 265.4006315 89502 303521636 511536 a-Alanine, conf. I
372520.6082 0.5631 -4.5771 3 447.4606405 89502 303672246 662145 a-Alanine, conf. I
372564.6080 0.5181 -4.8186 3 491.2460447 89502 303741262 731261 a-Alanine, conf. I
372564.6080 0.5181 -4.3068 3 491.2460447 89502 303741262 731361 a-Alanine, conf. I
372564.6080 0.5181 -4.3068 3 491.2460447 89502 303741362 731261 a-Alanine, conf. I
372564.6080 0.5181 -4.8186 3 491.2460447 89502 303741362 731361 a-Alanine, conf. I
372565.9251 2.0409 -5.7308 3 773.5312525 89502 303873256 863353 a-Alanine, conf. I
372566.1908 0.8332 -5.0994 3 539.1726411 89502 303684028 674027 a-Alanine, conf. I
372566.1908 0.8332 -5.0994 3 539.1726411 89502 303684029 674028 a-Alanine, conf. I
372608.5250 0.6805 -5.2724 3 246.6693309 89502 303511338 501238 a-Alanine, conf. I
372609.9067 0.6802 -5.2724 3 246.6693309 89502 303511438 501338 a-Alanine, conf. I
372634.8191 1.5424 -4.6641 3 450.7671405 89502 303672245 662344 a-Alanine, conf. I
372683.0098 0.1886 -5.1912 3 268.8374309 89502 303512230 502130 a-Alanine, conf. I
372713.9936 1.6243 -4.8089 3 447.5329399 89502 303662641 652640 a-Alanine, conf. I
372728.7518 0.3656 -5.4041 3 219.2667303 89502 30350 842 49 742 a-Alanine, conf. I
372728.7518 0.3656 -5.4041 3 219.2667303 89502 30350 942 49 842 a-Alanine, conf. I
372756.5022 4.1300 -4.6722 3 352.4485357 89502 303592238 582137 a-Alanine, conf. I
372829.7035 0.6283 -4.8010 3 506.5646477 89502 30379 574 78 573 a-Alanine, conf. I
372829.7035 0.6283 -4.2034 3 506.5646477 89502 30379 574 78 673 a-Alanine, conf. I
372829.7035 0.6283 -4.2034 3 506.5646477 89502 30379 674 78 573 a-Alanine, conf. I
372829.7035 0.6283 -4.8010 3 506.5646477 89502 30379 674 78 673 a-Alanine, conf. I
372847.3934 0.4525 -5.2861 3 137.7649237 89502 30339 930 38 831 a-Alanine, conf. I
372849.0254 0.4523 -5.2861 3 137.7649237 89502 303391030 38 731 a-Alanine, conf. I
372891.7272 1.0508 -5.2324 3 265.4059315 89502 303521736 511636 a-Alanine, conf. I
372893.8938 0.2159 -4.3686 3 268.8374309 89502 303512229 502130 a-Alanine, conf. I
372931.2258 0.1240 -5.1346 3 237.1486273 89502 303452817 442717 a-Alanine, conf. I
372931.2258 0.1240 -4.0840 3 237.1486273 89502 303452817 442718 a-Alanine, conf. I
372931.2258 0.1240 -4.0840 3 237.1486273 89502 303452818 442717 a-Alanine, conf. I
372931.2258 0.1240 -5.1346 3 237.1486273 89502 303452818 442718 a-Alanine, conf. I
372941.1785 0.8755 -5.0748 3 533.1662411 89502 303683929 673928 a-Alanine, conf. I
372941.1785 0.8755 -5.0748 3 533.1662411 89502 303683930 673929 a-Alanine, conf. I
372942.8778 0.5187 -4.4764 3 464.6394417 89502 303691950 682049 a-Alanine, conf. I
372944.5435 0.5186 -4.8099 3 464.6394417 89502 303692050 682049 a-Alanine, conf. I
372946.4325 0.5186 -4.8099 3 464.6392417 89502 303691950 681949 a-Alanine, conf. I
372948.0983 0.5186 -4.4764 3 464.6392417 89502 303692050 681949 a-Alanine, conf. I
372967.3273 0.1271 -5.0636 3 223.3418231 89502 3033836 2 3735 2 a-Alanine, conf. I
372967.3273 0.1271 -3.9072 3 223.3418231 89502 3033836 2 3735 3 a-Alanine, conf. I
372967.3273 0.1271 -3.9072 3 223.3418231 89502 3033836 3 3735 2 a-Alanine, conf. I
372967.3273 0.1271 -5.0636 3 223.3418231 89502 3033836 3 3735 3 a-Alanine, conf. I
373004.7952 1.3622 -4.8833 3 474.9201405 89502 303673038 663037 a-Alanine, conf. I
373006.4213 1.3632 -4.8833 3 474.9201405 89502 303673037 663036 a-Alanine, conf. I
373072.4846 1.3187 -4.7343 3 415.4094387 89502 303642341 632340 a-Alanine, conf. I
373082.0093 0.8638 -5.0817 3 159.9749249 89502 303411229 401130 a-Alanine, conf. I
373094.3058 0.5296 -4.8204 3 483.0858435 89502 303721557 711556 a-Alanine, conf. I
373094.3058 0.5296 -4.3652 3 483.0858435 89502 303721557 711656 a-Alanine, conf. I
373094.3058 0.5296 -4.3652 3 483.0858435 89502 303721657 711556 a-Alanine, conf. I
373094.3058 0.5296 -4.8204 3 483.0858435 89502 303721657 711656 a-Alanine, conf. I
373254.2326 0.5613 -5.7513 3 127.7988219 89502 303361521 351224 a-Alanine, conf. I
373313.3750 1.0405 -4.7837 3 512.2751495 89502 30382 181 81 180 a-Alanine, conf. I
373313.3750 1.0405 -4.1536 3 512.2751495 89502 30382 181 81 280 a-Alanine, conf. I
373313.3750 1.0405 -4.1536 3 512.2751495 89502 30382 281 81 180 a-Alanine, conf. I
373313.3750 1.0405 -4.7837 3 512.2751495 89502 30382 281 81 280 a-Alanine, conf. I
373328.6363 0.9635 -4.7853 3 441.3880399 89502 303662443 652442 a-Alanine, conf. I
373352.4900 0.9208 -5.0511 3 527.3344411 89502 303683830 673829 a-Alanine, conf. I
373352.4900 0.9208 -5.0511 3 527.3344411 89502 303683831 673830 a-Alanine, conf. I
373370.7321 0.7903 -4.9856 3 182.4499261 89502 303431628 421329 a-Alanine, conf. I
373408.3322 0.5233 -4.8124 3 503.0841465 89502 30377 869 76 868 a-Alanine, conf. I
373408.3322 0.5233 -4.2457 3 503.0841465 89502 30377 869 76 968 a-Alanine, conf. I
373408.3322 0.5233 -4.2457 3 503.0841465 89502 30377 969 76 868 a-Alanine, conf. I
373408.3322 0.5233 -4.8124 3 503.0841465 89502 30377 969 76 968 a-Alanine, conf. I
373422.2199 0.1348 -5.1437 3 241.3720279 89502 303462719 452619 a-Alanine, conf. I
373422.2199 0.1348 -4.1156 3 241.3720279 89502 303462719 452620 a-Alanine, conf. I
373422.2199 0.1348 -4.1156 3 241.3720279 89502 303462720 452619 a-Alanine, conf. I
373422.2199 0.1348 -5.1437 3 241.3720279 89502 303462720 452620 a-Alanine, conf. I
373464.5465 10.8203 -5.7933 3 835.7418543 89502 303903555 893654 a-Alanine, conf. I
373465.2217 0.8202 -5.0810 3 159.9746249 89502 303411329 401030 a-Alanine, conf. I
373563.2441 0.1731 -5.7841 3 123.0858213 89502 303351619 341322 a-Alanine, conf. I
373572.3497 0.1743 -4.2947 3 262.4066303 89502 303502328 492227 a-Alanine, conf. I
373583.1462 0.1752 -5.1813 3 262.4066303 89502 303502327 492227 a-Alanine, conf. I
373615.1476 0.1777 -5.1813 3 262.4051303 89502 303502328 492228 a-Alanine, conf. I
373625.9440 0.1787 -4.2945 3 262.4051303 89502 303502327 492228 a-Alanine, conf. I
373693.0254 0.1075 -5.0720 3 224.8472237 89502 3033935 4 3834 4 a-Alanine, conf. I
373693.0254 0.1075 -3.9254 3 224.8472237 89502 3033935 4 3834 5 a-Alanine, conf. I
373693.0254 0.1075 -3.9254 3 224.8472237 89502 3033935 5 3834 4 a-Alanine, conf. I
373693.0254 0.1075 -5.0720 3 224.8472237 89502 3033935 5 3834 5 a-Alanine, conf. I
373748.8770 0.3000 -5.7785 3 112.8269225 89502 30337 532 36 433 a-Alanine, conf. I
373748.8771 0.3000 -5.7785 3 112.8269225 89502 30337 632 36 333 a-Alanine, conf. I
373805.4137 0.9693 -5.0281 3 521.6795411 89502 303683731 673730 a-Alanine, conf. I
373805.4137 0.9693 -5.0281 3 521.6795411 89502 303683732 673731 a-Alanine, conf. I
373806.4385 0.1463 -4.1509 3 245.9906285 89502 303472622 462521 a-Alanine, conf. I
373806.4387 0.1463 -5.1529 3 245.9906285 89502 303472621 462521 a-Alanine, conf. I
373806.4396 0.1463 -5.1529 3 245.9906285 89502 303472622 462522 a-Alanine, conf. I
373806.4399 0.1463 -4.1509 3 245.9906285 89502 303472621 462522 a-Alanine, conf. I
373811.4853 1.4093 -4.7941 3 444.3781399 89502 303662542 652541 a-Alanine, conf. I
373874.3348 0.3112 -5.4872 3 125.2938231 89502 30338 731 37 632 a-Alanine, conf. I
373874.3499 0.3112 -5.4872 3 125.2938231 89502 30338 831 37 532 a-Alanine, conf. I
373876.1783 7.8543 -5.7566 3 814.5947537 89502 303893456 883553 a-Alanine, conf. I
373893.5884 0.3662 -5.4462 3 215.1055303 89502 30350 743 49 643 a-Alanine, conf. I
373893.5884 0.3662 -5.4462 3 215.1055303 89502 30350 843 49 743 a-Alanine, conf. I
373899.0423 0.5187 -4.8200 3 497.6329453 89502 303751164 741163 a-Alanine, conf. I
373899.0423 0.5187 -4.2922 3 497.6329453 89502 303751164 741263 a-Alanine, conf. I
373899.0423 0.5187 -4.2922 3 497.6329453 89502 303751264 741163 a-Alanine, conf. I
373899.0423 0.5187 -4.8200 3 497.6329453 89502 303751264 741263 a-Alanine, conf. I
373944.7638 0.5276 -4.4425 3 472.7478423 89502 303701852 691951 a-Alanine, conf. I
373944.8347 0.5276 -4.8162 3 472.7478423 89502 303701952 691951 a-Alanine, conf. I
373944.9221 0.5276 -4.8162 3 472.7478423 89502 303701852 691851 a-Alanine, conf. I
373944.9930 0.5276 -4.4425 3 472.7478423 89502 303701952 691851 a-Alanine, conf. I
374015.1590 0.1691 -4.2377 3 256.4807297 89502 303492426 482325 a-Alanine, conf. I
374015.5567 0.1692 -5.1716 3 256.4807297 89502 303492425 482325 a-Alanine, conf. I
374016.9408 0.1693 -5.1716 3 256.4807297 89502 303492426 482326 a-Alanine, conf. I
374017.3386 0.1693 -4.2377 3 256.4807297 89502 303492425 482326 a-Alanine, conf. I
374032.7985 0.1581 -4.1910 3 251.0197291 89502 303482524 472423 a-Alanine, conf. I
374032.8093 0.1581 -5.1622 3 251.0197291 89502 303482523 472423 a-Alanine, conf. I
374032.8523 0.1581 -5.1622 3 251.0197291 89502 303482524 472424 a-Alanine, conf. I
374032.8631 0.1581 -4.1910 3 251.0197291 89502 303482523 472424 a-Alanine, conf. I
374090.5598 0.7091 -4.7997 3 511.4160483 89502 30380 476 79 475 a-Alanine, conf. I
374090.5598 0.7091 -4.1931 3 511.4160483 89502 30380 476 79 575 a-Alanine, conf. I
374090.5598 0.7091 -4.1931 3 511.4160483 89502 30380 576 79 475 a-Alanine, conf. I
374090.5598 0.7091 -4.7997 3 511.4160483 89502 30380 576 79 575 a-Alanine, conf. I
374199.2024 1.4722 -4.8648 3 470.8093405 89502 303672939 662938 a-Alanine, conf. I
374212.8843 1.4802 -4.8648 3 470.8096405 89502 303672938 662937 a-Alanine, conf. I
374216.2913 0.7163 -4.7735 3 438.1235399 89502 303662244 652243 a-Alanine, conf. I
374306.4331 1.0213 -5.0059 3 516.2041411 89502 303683632 673631 a-Alanine, conf. I
374306.4331 1.0213 -5.0059 3 516.2041411 89502 303683633 673632 a-Alanine, conf. I
374324.5499 16.9742 -5.5565 3 705.8341501 89502 303833152 823251 a-Alanine, conf. I
374386.5621 2.3109 -4.8048 3 447.5992399 89502 303662640 652639 a-Alanine, conf. I
374391.9408 0.5336 -4.8234 3 490.1682441 89502 303731459 721458 a-Alanine, conf. I
374391.9408 0.5336 -4.3462 3 490.1682441 89502 303731459 721558 a-Alanine, conf. I
374391.9408 0.5336 -4.3462 3 490.1682441 89502 303731559 721458 a-Alanine, conf. I
374391.9408 0.5336 -4.8234 3 490.1682441 89502 303731559 721558 a-Alanine, conf. I
374411.1015 0.0965 -5.0806 3 226.7032243 89502 3034034 6 3933 6 a-Alanine, conf. I
374411.1015 0.0965 -3.9446 3 226.7032243 89502 3034034 6 3933 7 a-Alanine, conf. I
374411.1015 0.0965 -3.9446 3 226.7032243 89502 3034034 7 3933 6 a-Alanine, conf. I
374411.1015 0.0965 -5.0806 3 226.7032243 89502 3034034 7 3933 7 a-Alanine, conf. I
374467.5903 0.7874 -5.8040 3 697.1902417 89502 303695910 6859 9 a-Alanine, conf. I
374467.5903 0.7874 -5.8040 3 697.1902417 89502 303695911 685910 a-Alanine, conf. I
374489.8315 1.2026 -4.7811 3 516.2549501 89502 30383 083 82 082 a-Alanine, conf. I
374489.8315 1.2026 -4.1441 3 516.2549501 89502 30383 083 82 182 a-Alanine, conf. I
374489.8315 1.2026 -4.1441 3 516.2549501 89502 30383 183 82 082 a-Alanine, conf. I
374489.8315 1.2026 -4.7811 3 516.2549501 89502 30383 183 82 182 a-Alanine, conf. I
374509.7583 0.8036 -5.2083 3 283.1266321 89502 303532034 521934 a-Alanine, conf. I
374522.9046 0.5890 -5.2910 3 243.1668309 89502 303511239 501139 a-Alanine, conf. I
374523.0187 0.5890 -5.2910 3 243.1668309 89502 303511339 501239 a-Alanine, conf. I
374564.5231 0.7509 -5.7468 3 688.0675417 89502 303695811 685810 a-Alanine, conf. I
374564.5231 0.7509 -5.7468 3 688.0675417 89502 303695812 685811 a-Alanine, conf. I
374613.7401 17.5879 -5.4881 3 671.3220489 89502 303813051 803150 a-Alanine, conf. I
374632.1082 0.3126 -5.2121 3 306.7587333 89502 303552134 542034 a-Alanine, conf. I
374668.0720 0.7184 -5.6935 3 679.1044417 89502 303695712 685711 a-Alanine, conf. I
374668.0720 0.7184 -5.6935 3 679.1044417 89502 303695713 685712 a-Alanine, conf. I
374685.6137 0.8913 -4.4809 3 275.7973315 89502 303522131 512032 a-Alanine, conf. I
374715.7562 0.5500 -4.8122 3 508.5955471 89502 30378 771 77 770 a-Alanine, conf. I
374715.7562 0.5500 -4.2342 3 508.5955471 89502 30378 771 77 870 a-Alanine, conf. I
374715.7562 0.5500 -4.2342 3 508.5955471 89502 30378 871 77 770 a-Alanine, conf. I
374715.7562 0.5500 -4.8122 3 508.5955471 89502 30378 871 77 870 a-Alanine, conf. I
374766.8048 0.9198 -5.3033 3 168.5481249 89502 303411725 401426 a-Alanine, conf. I
374778.7098 0.6901 -5.6436 3 670.3013417 89502 303695613 685612 a-Alanine, conf. I
374778.7098 0.6901 -5.6436 3 670.3013417 89502 303695614 685613 a-Alanine, conf. I
374844.1668 1.5522 -4.9980 3 180.0901261 89502 303431429 421330 a-Alanine, conf. I
374863.6284 1.0775 -4.9844 3 510.9116411 89502 303683534 673533 a-Alanine, conf. I
374863.6285 1.0775 -4.9844 3 510.9116411 89502 303683533 673532 a-Alanine, conf. I
374896.9567 0.6664 -5.5967 3 661.6585417 89502 303695514 685513 a-Alanine, conf. I
374896.9567 0.6664 -5.5967 3 661.6585417 89502 303695515 685514 a-Alanine, conf. I
374905.8244 0.6113 -5.1835 3 176.4456255 89502 303421726 411427 a-Alanine, conf. I
374970.2462 0.3899 -5.4972 3 210.8044303 89502 30350 644 49 544 a-Alanine, conf. I
374970.2462 0.3899 -5.4972 3 210.8044303 89502 30350 744 49 644 a-Alanine, conf. I
374981.2147 5.7461 -5.7280 3 793.8431531 89502 303883356 873453 a-Alanine, conf. I
375023.3859 0.6477 -5.5523 3 653.1763417 89502 303695415 685414 a-Alanine, conf. I
375023.3859 0.6477 -5.5523 3 653.1763417 89502 303695416 685415 a-Alanine, conf. I
375034.0829 1.1246 -5.0343 3 169.9401255 89502 303421329 411230 a-Alanine, conf. I
375046.7686 15.8833 -5.6197 3 741.2137513 89502 303853253 843352 a-Alanine, conf. I
375078.5465 0.5360 -4.4147 3 480.5876429 89502 303711754 701853 a-Alanine, conf. I
375078.5490 0.5360 -4.8214 3 480.5876429 89502 303711854 701853 a-Alanine, conf. I
375078.5523 0.5360 -4.8214 3 480.5876429 89502 303711754 701753 a-Alanine, conf. I
375078.5548 0.5360 -4.4147 3 480.5876429 89502 303711854 701753 a-Alanine, conf. I
375118.2489 0.0935 -5.0893 3 228.9123249 89502 3034133 8 4032 8 a-Alanine, conf. I
375118.2489 0.0935 -3.9650 3 228.9123249 89502 3034133 8 4032 9 a-Alanine, conf. I
375118.2489 0.0935 -3.9650 3 228.9123249 89502 3034133 9 4032 8 a-Alanine, conf. I
375118.2489 0.0935 -5.0893 3 228.9123249 89502 3034133 9 4032 9 a-Alanine, conf. I
375130.7744 1.1180 -5.2157 3 280.5780321 89502 303531935 521835 a-Alanine, conf. I
375158.6310 0.6342 -5.5101 3 644.8551417 89502 303695316 685315 a-Alanine, conf. I
375158.6310 0.6342 -5.5101 3 644.8551417 89502 303695317 685316 a-Alanine, conf. I
375231.8169 0.5211 -4.8211 3 503.8097459 89502 303761066 751065 a-Alanine, conf. I
375231.8169 0.5211 -4.2787 3 503.8097459 89502 303761066 751165 a-Alanine, conf. I
375231.8169 0.5211 -4.2787 3 503.8097459 89502 303761166 751065 a-Alanine, conf. I
375231.8169 0.5211 -4.8211 3 503.8097459 89502 303761166 751165 a-Alanine, conf. I
375303.3944 0.6261 -5.4700 3 636.6955417 89502 303695217 685216 a-Alanine, conf. I
375303.3944 0.6261 -5.4700 3 636.6955417 89502 303695218 685217 a-Alanine, conf. I
375306.9278 9.7130 -5.0168 3 511.7056429 89502 303712546 702645 a-Alanine, conf. I
375330.6034 0.8116 -4.7982 3 516.0610489 89502 30381 378 80 377 a-Alanine, conf. I
375330.6034 0.8116 -4.1831 3 516.0610489 89502 30381 378 80 477 a-Alanine, conf. I
375330.6034 0.8116 -4.1831 3 516.0610489 89502 30381 478 80 377 a-Alanine, conf. I
375330.6034 0.8116 -4.7982 3 516.0610489 89502 30381 478 80 477 a-Alanine, conf. I
375331.2412 3.6551 -4.7654 3 466.4611411 89502 303682345 672444 a-Alanine, conf. I
375401.1284 0.5674 -4.7917 3 450.7671405 89502 303672345 662344 a-Alanine, conf. I
375458.4564 0.6235 -5.4318 3 628.6977417 89502 303695118 685117 a-Alanine, conf. I
375458.4564 0.6235 -5.4318 3 628.6977417 89502 303695119 685118 a-Alanine, conf. I
375487.2688 1.1387 -4.9636 3 505.8056411 89502 303683435 673434 a-Alanine, conf. I
375487.2691 1.1387 -4.9636 3 505.8056411 89502 303683434 673433 a-Alanine, conf. I
375579.1865 3.8260 -5.7888 3 790.0316531 89502 303883257 873354 a-Alanine, conf. I
375606.9130 17.4332 -5.4115 3 637.6760477 89502 303792950 783049 a-Alanine, conf. I
375624.6872 0.6263 -5.3953 3 620.8624417 89502 303695019 685018 a-Alanine, conf. I
375624.6872 0.6263 -5.3953 3 620.8624417 89502 303695020 685019 a-Alanine, conf. I
375630.8720 1.5991 -4.8465 3 466.9352405 89502 303672840 662839 a-Alanine, conf. I
375695.9296 0.5543 -4.5704 3 459.8866411 89502 303682147 672246 a-Alanine, conf. I
375710.8806 0.5357 -4.8259 3 497.0291447 89502 303741361 731360 a-Alanine, conf. I
375710.8806 0.5357 -4.3292 3 497.0291447 89502 303741361 731460 a-Alanine, conf. I
375710.8806 0.5357 -4.3292 3 497.0291447 89502 303741461 731360 a-Alanine, conf. I
375710.8806 0.5357 -4.8259 3 497.0291447 89502 303741461 731460 a-Alanine, conf. I
375715.8198 0.9391 -5.2434 3 262.3518315 89502 303521537 511437 a-Alanine, conf. I
375730.1925 1.6526 -4.8463 3 466.9383405 89502 303672839 662838 a-Alanine, conf. I
375774.8808 0.9251 -5.2433 3 262.3524315 89502 303521637 511537 a-Alanine, conf. I
375803.0600 0.6345 -5.3603 3 613.1900417 89502 303694920 684919 a-Alanine, conf. I
375803.0600 0.6345 -5.3603 3 613.1900417 89502 303694921 684920 a-Alanine, conf. I
375809.9573 0.0967 -5.0981 3 231.4776255 89502 303423210 413110 a-Alanine, conf. I
375809.9573 0.0967 -3.9868 3 231.4776255 89502 303423210 413111 a-Alanine, conf. I
375809.9573 0.0967 -3.9868 3 231.4776255 89502 303423211 413110 a-Alanine, conf. I
375809.9573 0.0967 -5.0981 3 231.4776255 89502 303423211 413111 a-Alanine, conf. I
375936.1945 0.5199 -4.8022 3 459.8866411 89502 303682247 672246 a-Alanine, conf. I
375970.9706 0.4328 -5.5605 3 206.3661303 89502 30350 545 49 445 a-Alanine, conf. I
375970.9706 0.4328 -5.5605 3 206.3661303 89502 30350 645 49 545 a-Alanine, conf. I
375994.6678 0.6477 -5.3267 3 605.6812417 89502 303694821 684820 a-Alanine, conf. I
375994.6678 0.6477 -5.3267 3 605.6812417 89502 303694822 684821 a-Alanine, conf. I
376003.7058 0.2974 -4.3970 3 278.4654315 89502 303522231 512130 a-Alanine, conf. I
376007.7932 0.5931 -4.8118 3 513.9011477 89502 30379 673 78 672 a-Alanine, conf. I
376007.7932 0.5931 -4.2233 3 513.9011477 89502 30379 673 78 772 a-Alanine, conf. I
376007.7932 0.5931 -4.2233 3 513.9011477 89502 30379 773 78 672 a-Alanine, conf. I
376007.7932 0.5931 -4.8118 3 513.9011477 89502 30379 773 78 772 a-Alanine, conf. I
376157.7501 0.5128 -4.8016 3 459.8712411 89502 303682147 672146 a-Alanine, conf. I
376190.7220 1.2061 -4.9434 3 500.8910411 89502 303683336 673335 a-Alanine, conf. I
376190.7254 1.2061 -4.9434 3 500.8910411 89502 303683335 673334 a-Alanine, conf. I
376200.7422 0.6656 -5.2944 3 598.3367417 89502 303694722 684721 a-Alanine, conf. I
376200.7422 0.6656 -5.2944 3 598.3367417 89502 303694723 684722 a-Alanine, conf. I
376213.1752 0.5119 -5.3127 3 239.4997309 89502 303511140 501040 a-Alanine, conf. I
376213.1832 0.5119 -5.3127 3 239.4997309 89502 303511240 501140 a-Alanine, conf. I
376295.3111 0.5433 -4.3910 3 488.1776435 89502 303721656 711755 a-Alanine, conf. I
376295.3112 0.5433 -4.8258 3 488.1776435 89502 303721756 711755 a-Alanine, conf. I
376295.3113 0.5433 -4.8258 3 488.1776435 89502 303721656 711655 a-Alanine, conf. I
376295.3114 0.5433 -4.3910 3 488.1776435 89502 303721756 711655 a-Alanine, conf. I
376398.0150 0.5286 -4.5687 3 459.8712411 89502 303682247 672146 a-Alanine, conf. I
376409.0604 1.4819 -5.2266 3 277.8244321 89502 303531736 521636 a-Alanine, conf. I
376422.6776 0.6879 -5.2634 3 591.1572417 89502 303694623 684622 a-Alanine, conf. I
376422.6776 0.6879 -5.2634 3 591.1572417 89502 303694624 684623 a-Alanine, conf. I
376439.6790 0.9647 -5.0322 3 169.9387255 89502 303421429 411130 a-Alanine, conf. I
376449.1269 0.2176 -5.1944 3 278.4654315 89502 303522230 512130 a-Alanine, conf. I
376480.0507 0.1037 -5.1070 3 234.4031261 89502 303433112 423012 a-Alanine, conf. I
376480.0507 0.1037 -4.0101 3 234.4031261 89502 303433112 423013 a-Alanine, conf. I
376480.0507 0.1037 -4.0101 3 234.4031261 89502 303433113 423012 a-Alanine, conf. I
376480.0507 0.1037 -5.1070 3 234.4031261 89502 303433113 423013 a-Alanine, conf. I
376484.7228 0.5298 -4.5161 3 468.6473417 89502 303692049 682148 a-Alanine, conf. I
376500.0926 0.5288 -4.8115 3 468.6473417 89502 303692149 682148 a-Alanine, conf. I
376512.8777 1.0928 -5.4319 3 160.7897243 89502 303401724 391425 a-Alanine, conf. I
376516.2163 0.5282 -4.8114 3 468.6462417 89502 303692049 682048 a-Alanine, conf. I
376531.5862 0.5276 -4.5160 3 468.6462417 89502 303692149 682048 a-Alanine, conf. I
376548.3385 0.9358 -4.7964 3 520.4985495 89502 30382 280 81 279 a-Alanine, conf. I
376548.3385 0.9358 -4.1734 3 520.4985495 89502 30382 280 81 379 a-Alanine, conf. I
376548.3385 0.9358 -4.1734 3 520.4985495 89502 30382 380 81 279 a-Alanine, conf. I
376548.3385 0.9358 -4.7964 3 520.4985495 89502 30382 380 81 379 a-Alanine, conf. I
376558.1428 0.5282 -4.8218 3 509.7782465 89502 30377 968 76 967 a-Alanine, conf. I
376558.1428 0.5282 -4.2661 3 509.7782465 89502 30377 968 761067 a-Alanine, conf. I
376558.1428 0.5282 -4.2661 3 509.7782465 89502 303771068 76 967 a-Alanine, conf. I
376558.1428 0.5282 -4.8218 3 509.7782465 89502 303771068 761067 a-Alanine, conf. I
376662.0603 0.7141 -5.2336 3 584.1435417 89502 303694524 684523 a-Alanine, conf. I
376662.0603 0.7141 -5.2336 3 584.1435417 89502 303694525 684524 a-Alanine, conf. I
376785.1396 16.4078 -5.3246 3 604.8943465 89502 303772849 762948 a-Alanine, conf. I
376848.2853 14.6651 -5.6805 3 777.4613525 89502 303873354 863453 a-Alanine, conf. I
376905.6315 0.4898 -5.6413 3 201.7928303 89502 30350 446 49 346 a-Alanine, conf. I
376905.6315 0.4898 -5.6413 3 201.7928303 89502 30350 546 49 446 a-Alanine, conf. I
376920.7038 0.7440 -5.2048 3 577.2966417 89502 303694425 684424 a-Alanine, conf. I
376920.7038 0.7440 -5.2048 3 577.2966417 89502 303694426 684425 a-Alanine, conf. I
376991.9083 1.2817 -4.9237 3 496.1735411 89502 303683237 673236 a-Alanine, conf. I
376991.9472 1.2817 -4.9237 3 496.1735411 89502 303683236 673235 a-Alanine, conf. I
377040.6310 0.5364 -4.8280 3 503.6734453 89502 303751263 741262 a-Alanine, conf. I
377040.6310 0.5364 -4.3139 3 503.6734453 89502 303751263 741362 a-Alanine, conf. I
377040.6310 0.5364 -4.3139 3 503.6734453 89502 303751363 741262 a-Alanine, conf. I
377040.6310 0.5364 -4.8280 3 503.6734453 89502 303751363 741362 a-Alanine, conf. I
377062.9718 3.7731 -4.6469 3 341.1617351 89502 303582237 572136 a-Alanine, conf. I
377120.0066 0.1127 -5.1160 3 237.6934267 89502 303443014 432914 a-Alanine, conf. I
377120.0066 0.1127 -4.0351 3 237.6934267 89502 303443014 432915 a-Alanine, conf. I
377120.0066 0.1127 -4.0351 3 237.6934267 89502 303443015 432914 a-Alanine, conf. I
377120.0066 0.1127 -5.1160 3 237.6934267 89502 303443015 432915 a-Alanine, conf. I
377126.8216 0.4207 -5.2014 3 285.6129321 89502 303532133 522033 a-Alanine, conf. I
377198.0170 12.2833 -5.1231 3 541.9126441 89502 303732647 722746 a-Alanine, conf. I
377200.6938 0.7773 -5.1771 3 570.6175417 89502 303694326 684325 a-Alanine, conf. I
377200.6938 0.7773 -5.1771 3 570.6175417 89502 303694327 684326 a-Alanine, conf. I
377232.0116 0.5656 -5.2074 3 147.3915243 89502 303401030 39 931 a-Alanine, conf. I
377240.8739 0.5645 -5.2073 3 147.3915243 89502 303401130 39 831 a-Alanine, conf. I
377282.2154 0.6557 -4.8111 3 519.0009483 89502 30380 575 79 574 a-Alanine, conf. I
377282.2154 0.6557 -4.2129 3 519.0009483 89502 30380 575 79 674 a-Alanine, conf. I
377282.2154 0.6557 -4.2129 3 519.0009483 89502 30380 675 79 574 a-Alanine, conf. I
377282.2154 0.6557 -4.8111 3 519.0009483 89502 30380 675 79 674 a-Alanine, conf. I
377290.8172 1.7055 -4.8286 3 463.3169405 89502 303672741 662740 a-Alanine, conf. I
377340.8940 0.5388 -4.4763 3 477.0795423 89502 303701951 692050 a-Alanine, conf. I
377341.6669 0.5387 -4.8191 3 477.0795423 89502 303702051 692050 a-Alanine, conf. I
377342.5597 0.5387 -4.8191 3 477.0794423 89502 303701951 691950 a-Alanine, conf. I
377343.3326 0.5387 -4.4763 3 477.0794423 89502 303702051 691950 a-Alanine, conf. I
377412.7628 0.2507 -5.0866 3 184.4629261 89502 303431727 421428 a-Alanine, conf. I
377445.3037 0.2062 -5.1923 3 278.4173315 89502 303522231 512131 a-Alanine, conf. I
377462.4121 0.6399 -4.7860 3 450.6061405 89502 303672245 662244 a-Alanine, conf. I
377504.4449 0.8136 -5.1503 3 564.1074417 89502 303694227 684226 a-Alanine, conf. I
377504.4449 0.8136 -5.1503 3 564.1074417 89502 303694228 684227 a-Alanine, conf. I
377521.1626 14.6131 -5.2274 3 572.9742453 89502 303752748 742847 a-Alanine, conf. I
377564.4103 0.5490 -4.3705 3 495.5309441 89502 303731558 721657 a-Alanine, conf. I
377564.4103 0.5490 -4.8296 3 495.5309441 89502 303731658 721657 a-Alanine, conf. I
377564.4104 0.5490 -4.8296 3 495.5309441 89502 303731558 721557 a-Alanine, conf. I
377564.4104 0.5490 -4.3705 3 495.5309441 89502 303731658 721557 a-Alanine, conf. I
377655.5205 0.1460 -5.0548 3 228.8920231 89502 3033837 1 3736 1 a-Alanine, conf. I
377655.5205 0.1460 -3.8938 3 228.8920231 89502 3033837 1 3736 2 a-Alanine, conf. I
377655.5205 0.1460 -3.8938 3 228.8920231 89502 3033837 2 3736 1 a-Alanine, conf. I
377655.5205 0.1460 -5.0548 3 228.8920231 89502 3033837 2 3736 2 a-Alanine, conf. I
377687.1532 2.5528 -4.7514 3 429.8223393 89502 303652441 642440 a-Alanine, conf. I
377717.9218 0.1227 -5.1252 3 241.3544273 89502 303452916 442816 a-Alanine, conf. I
377717.9218 0.1227 -4.0622 3 241.3544273 89502 303452916 442817 a-Alanine, conf. I
377717.9218 0.1227 -4.0622 3 241.3544273 89502 303452917 442816 a-Alanine, conf. I
377717.9218 0.1227 -5.1252 3 241.3544273 89502 303452917 442817 a-Alanine, conf. I
377727.9964 0.4503 -5.3382 3 235.6753309 89502 303511041 50 941 a-Alanine, conf. I
377727.9969 0.4503 -5.3382 3 235.6753309 89502 303511141 501041 a-Alanine, conf. I
377742.4295 1.0812 -4.7943 3 524.7275501 89502 30383 182 82 181 a-Alanine, conf. I
377742.4295 1.0812 -4.1640 3 524.7275501 89502 30383 182 82 281 a-Alanine, conf. I
377742.4295 1.0812 -4.1640 3 524.7275501 89502 30383 282 82 181 a-Alanine, conf. I
377742.4295 1.0812 -4.7943 3 524.7275501 89502 30383 282 82 281 a-Alanine, conf. I
377782.3188 0.5565 -5.7501 3 197.0865303 89502 30350 347 49 247 a-Alanine, conf. I
377782.3188 0.5565 -5.7501 3 197.0865303 89502 30350 447 49 347 a-Alanine, conf. I
377810.4576 1.1796 -5.2236 3 277.8442321 89502 303531836 521736 a-Alanine, conf. I
377834.7722 0.8530 -5.1245 3 557.7678417 89502 303694128 684127 a-Alanine, conf. I
377834.7722 0.8530 -5.1245 3 557.7678417 89502 303694129 684128 a-Alanine, conf. I
377874.2182 0.5440 -4.8223 3 515.5396471 89502 30378 870 77 869 a-Alanine, conf. I
377874.2182 0.5440 -4.2544 3 515.5396471 89502 30378 870 77 969 a-Alanine, conf. I
377874.2182 0.5440 -4.2544 3 515.5396471 89502 30378 970 77 869 a-Alanine, conf. I
377874.2182 0.5440 -4.8223 3 515.5396471 89502 30378 970 77 969 a-Alanine, conf. I
377890.7249 0.2798 -4.3936 3 278.4173315 89502 303522230 512131 a-Alanine, conf. I
377892.9695 1.9948 -4.8272 3 463.3382405 89502 303672740 662739 a-Alanine, conf. I
377915.6918 1.3685 -4.9046 3 491.6607411 89502 303683138 673137 a-Alanine, conf. I
377916.0905 1.3688 -4.9046 3 491.6607411 89502 303683137 673136 a-Alanine, conf. I
377966.0526 0.7109 -4.7429 3 427.8538393 89502 303652342 642341 a-Alanine, conf. I
378194.9856 0.8953 -5.0996 3 551.6001417 89502 303694029 684028 a-Alanine, conf. I
378194.9856 0.8953 -5.0996 3 551.6001417 89502 303694030 684029 a-Alanine, conf. I
378236.4816 1.0579 -4.6409 3 463.2891411 89502 303682246 672345 a-Alanine, conf. I
378246.0571 0.8043 -5.2565 3 259.0982315 89502 303521438 511338 a-Alanine, conf. I
378252.6337 0.8027 -5.2565 3 259.0982315 89502 303521538 511438 a-Alanine, conf. I
378256.8784 0.1334 -5.1344 3 245.3935279 89502 303462818 452718 a-Alanine, conf. I
378256.8784 0.1334 -4.0918 3 245.3935279 89502 303462818 452719 a-Alanine, conf. I
378256.8784 0.1334 -4.0918 3 245.3935279 89502 303462819 452718 a-Alanine, conf. I
378256.8784 0.1334 -5.1344 3 245.3935279 89502 303462819 452719 a-Alanine, conf. I
378345.4382 0.8476 -4.7925 3 453.8409405 89502 303672444 662443 a-Alanine, conf. I
378373.4819 0.5371 -4.8297 3 510.1048459 89502 303761165 751164 a-Alanine, conf. I
378373.4819 0.5371 -4.2998 3 510.1048459 89502 303761165 751264 a-Alanine, conf. I
378373.4819 0.5371 -4.2998 3 510.1048459 89502 303761265 751164 a-Alanine, conf. I
378373.4819 0.5371 -4.8297 3 510.1048459 89502 303761265 751264 a-Alanine, conf. I
378376.3337 0.5478 -4.4446 3 485.2213429 89502 303711853 701952 a-Alanine, conf. I
378376.3652 0.5478 -4.8254 3 485.2213429 89502 303711953 701952 a-Alanine, conf. I
378376.4046 0.5478 -4.8254 3 485.2213429 89502 303711853 701852 a-Alanine, conf. I
378376.4362 0.5478 -4.4446 3 485.2213429 89502 303711953 701852 a-Alanine, conf. I
378383.7355 0.1217 -5.0632 3 230.2352237 89502 3033936 3 3835 3 a-Alanine, conf. I
378383.7355 0.1217 -3.9113 3 230.2352237 89502 3033936 3 3835 4 a-Alanine, conf. I
378383.7355 0.1217 -3.9113 3 230.2352237 89502 3033936 4 3835 3 a-Alanine, conf. I
378383.7355 0.1217 -5.0632 3 230.2352237 89502 3033936 4 3835 4 a-Alanine, conf. I
378414.6651 3.5506 -4.8175 3 240.3228297 89502 303491831 481732 a-Alanine, conf. I
378419.1340 0.1805 -4.3128 3 271.7383309 89502 303512329 502228 a-Alanine, conf. I
378444.4877 0.1821 -5.1823 3 271.7383309 89502 303512328 502228 a-Alanine, conf. I
378468.9678 0.4615 -5.2112 3 317.4633339 89502 303562135 552035 a-Alanine, conf. I
378480.7077 0.1583 -5.7320 3 129.6512219 89502 303361620 351323 a-Alanine, conf. I
378515.7032 0.1872 -5.1821 3 271.7351309 89502 303512329 502229 a-Alanine, conf. I
378537.1143 0.7398 -4.8100 3 523.8943489 89502 30381 477 80 476 a-Alanine, conf. I
378537.1143 0.7398 -4.2029 3 523.8943489 89502 30381 477 80 576 a-Alanine, conf. I
378537.1143 0.7398 -4.2029 3 523.8943489 89502 30381 577 80 476 a-Alanine, conf. I
378537.1143 0.7398 -4.8100 3 523.8943489 89502 30381 577 80 576 a-Alanine, conf. I
378541.0569 0.1898 -4.3125 3 271.7351309 89502 303512328 502229 a-Alanine, conf. I
378589.0127 0.9406 -5.0754 3 545.6062417 89502 303693930 683929 a-Alanine, conf. I
378589.0127 0.9406 -5.0754 3 545.6062417 89502 303693931 683930 a-Alanine, conf. I
378712.2347 0.1448 -5.1437 3 249.8202285 89502 303472720 462620 a-Alanine, conf. I
378712.2347 0.1448 -4.1244 3 249.8202285 89502 303472721 462620 a-Alanine, conf. I
378712.2348 0.1448 -4.1244 3 249.8202285 89502 303472720 462621 a-Alanine, conf. I
378712.2348 0.1448 -5.1437 3 249.8202285 89502 303472721 462621 a-Alanine, conf. I
378865.9225 0.5527 -4.8328 3 502.6566447 89502 303741460 731459 a-Alanine, conf. I
378865.9225 0.5527 -4.3524 3 502.6566447 89502 303741460 731559 a-Alanine, conf. I
378865.9225 0.5527 -4.3524 3 502.6566447 89502 303741560 731459 a-Alanine, conf. I
378865.9225 0.5527 -4.8328 3 502.6566447 89502 303741560 731559 a-Alanine, conf. I
378876.2757 1.6622 -4.8118 3 459.9653405 89502 303672642 662641 a-Alanine, conf. I
378911.6684 1.2474 -4.7919 3 528.7466507 89502 30384 084 83 083 a-Alanine, conf. I
378911.6684 1.2474 -4.1549 3 528.7466507 89502 30384 084 83 183 a-Alanine, conf. I
378911.6684 1.2474 -4.1549 3 528.7466507 89502 30384 184 83 083 a-Alanine, conf. I
378911.6684 1.2474 -4.7919 3 528.7466507 89502 30384 184 83 183 a-Alanine, conf. I
378913.0632 2.0130 -5.2241 3 290.3801327 89502 303541836 531736 a-Alanine, conf. I
378948.8707 0.3776 -5.3787 3 134.7511237 89502 30339 831 38 732 a-Alanine, conf. I
378948.9792 0.3776 -5.3787 3 134.7511237 89502 30339 931 38 632 a-Alanine, conf. I
378997.5389 1.4709 -4.8859 3 487.3622411 89502 303683039 673038 a-Alanine, conf. I
379001.1639 1.4732 -4.8859 3 487.3623411 89502 303683038 673037 a-Alanine, conf. I
379021.5647 0.9890 -5.0521 3 539.7881417 89502 303693831 683830 a-Alanine, conf. I
379021.5647 0.9890 -5.0521 3 539.7881417 89502 303693832 683831 a-Alanine, conf. I
379043.8842 2.4438 -4.6593 3 438.1235399 89502 303662344 652243 a-Alanine, conf. I
379046.8433 0.1568 -4.1610 3 254.6468291 89502 303482623 472522 a-Alanine, conf. I
379046.8440 0.1568 -5.1530 3 254.6468291 89502 303482622 472522 a-Alanine, conf. I
379046.8470 0.1568 -5.1530 3 254.6468291 89502 303482623 472523 a-Alanine, conf. I
379046.8477 0.1568 -4.1610 3 254.6468291 89502 303482622 472523 a-Alanine, conf. I
379074.4315 0.1792 -4.2519 3 265.5747303 89502 303502427 492326 a-Alanine, conf. I
379075.4616 0.1793 -5.1722 3 265.5747303 89502 303502426 492326 a-Alanine, conf. I
379078.8876 0.1796 -5.1722 3 265.5746303 89502 303502427 492327 a-Alanine, conf. I
379079.9177 0.1797 -4.2519 3 265.5746303 89502 303502426 492327 a-Alanine, conf. I
379100.9058 0.4072 -5.3681 3 231.6996309 89502 30351 942 50 842 a-Alanine, conf. I
379100.9059 0.4072 -5.3681 3 231.6996309 89502 303511042 50 942 a-Alanine, conf. I
379105.6952 0.1057 -5.0716 3 231.9276243 89502 3034035 5 3934 5 a-Alanine, conf. I
379105.6952 0.1057 -3.9298 3 231.9276243 89502 3034035 5 3934 6 a-Alanine, conf. I
379105.6952 0.1057 -3.9298 3 231.9276243 89502 3034035 6 3934 5 a-Alanine, conf. I
379105.6952 0.1057 -5.0716 3 231.9276243 89502 3034035 6 3934 6 a-Alanine, conf. I
379176.9547 0.5727 -4.8224 3 521.0946477 89502 30379 772 78 771 a-Alanine, conf. I
379176.9547 0.5727 -4.2433 3 521.0946477 89502 30379 772 78 871 a-Alanine, conf. I
379176.9547 0.5727 -4.2433 3 521.0946477 89502 30379 872 78 771 a-Alanine, conf. I
379176.9547 0.5727 -4.8224 3 521.0946477 89502 30379 872 78 871 a-Alanine, conf. I
379201.8081 0.1689 -4.2028 3 259.8903297 89502 303492525 482424 a-Alanine, conf. I
379201.8389 0.1689 -5.1625 3 259.8903297 89502 303492524 482424 a-Alanine, conf. I
379201.9568 0.1689 -5.1625 3 259.8903297 89502 303492525 482425 a-Alanine, conf. I
379201.9876 0.1689 -4.2028 3 259.8903297 89502 303492524 482425 a-Alanine, conf. I
379300.1341 0.2993 -5.6178 3 122.0990231 89502 30338 632 37 533 a-Alanine, conf. I
379300.1348 0.2993 -5.6178 3 122.0990231 89502 30338 732 37 433 a-Alanine, conf. I
379330.5079 1.0638 -4.9935 3 180.0840261 89502 303431529 421230 a-Alanine, conf. I
379343.4945 3.3706 -4.6769 3 425.7409393 89502 303652343 642242 a-Alanine, conf. I
379349.9089 1.1201 -5.5533 3 153.1982237 89502 303391723 381424 a-Alanine, conf. I
379444.9604 0.5249 -4.4283 3 288.2955321 89502 303532232 522131 a-Alanine, conf. I
379498.3640 1.0408 -5.0296 3 534.1483417 89502 303693732 683731 a-Alanine, conf. I
379498.3640 1.0408 -5.0296 3 534.1483417 89502 303693733 683732 a-Alanine, conf. I
379530.2365 0.5561 -4.4183 3 493.0989435 89502 303721755 711854 a-Alanine, conf. I
379530.2376 0.5561 -4.8308 3 493.0989435 89502 303721855 711854 a-Alanine, conf. I
379530.2390 0.5561 -4.8308 3 493.0989435 89502 303721755 711754 a-Alanine, conf. I
379530.2401 0.5561 -4.4183 3 493.0989435 89502 303721855 711754 a-Alanine, conf. I
379532.4584 1.3284 -4.7988 3 456.8471405 89502 303672543 662542 a-Alanine, conf. I
379540.0018 2.5574 -5.2234 3 303.0193333 89502 303551936 541836 a-Alanine, conf. I
379618.0502 13.5854 -5.7407 3 814.5768537 89502 303893455 883554 a-Alanine, conf. I
379703.5862 0.5400 -4.8310 3 516.3261465 89502 303771067 761066 a-Alanine, conf. I
379703.5862 0.5400 -4.2869 3 516.3261465 89502 303771067 761166 a-Alanine, conf. I
379703.5862 0.5400 -4.2869 3 516.3261465 89502 303771167 761066 a-Alanine, conf. I
379703.5862 0.5400 -4.8310 3 516.3261465 89502 303771167 761166 a-Alanine, conf. I
379770.8282 0.8458 -4.8087 3 528.5807495 89502 30382 379 81 378 a-Alanine, conf. I
379770.8282 0.8458 -4.1933 3 528.5807495 89502 30382 379 81 478 a-Alanine, conf. I
379770.8282 0.8458 -4.1933 3 528.5807495 89502 30382 479 81 378 a-Alanine, conf. I
379770.8282 0.8458 -4.8087 3 528.5807495 89502 30382 479 81 478 a-Alanine, conf. I
379775.7129 0.5556 -4.8012 3 463.2891411 89502 303682346 672345 a-Alanine, conf. I
379781.7234 3.0658 -4.7783 3 444.6984399 89502 303662541 652540 a-Alanine, conf. I
379818.6693 0.0983 -5.0802 3 233.9717249 89502 3034134 7 4033 7 a-Alanine, conf. I
379818.6693 0.0983 -3.9494 3 233.9717249 89502 3034134 7 4033 8 a-Alanine, conf. I
379818.6693 0.0983 -3.9494 3 233.9717249 89502 3034134 8 4033 7 a-Alanine, conf. I
379818.6693 0.0983 -5.0802 3 233.9717249 89502 3034134 8 4033 8 a-Alanine, conf. I
379924.2230 0.7898 -5.7791 3 709.6811423 89502 303705911 695910 a-Alanine, conf. I
379924.2230 0.7898 -5.7791 3 709.6811423 89502 303705912 695911 a-Alanine, conf. I
379958.4512 2.4017 -5.2181 3 315.6794339 89502 303562036 551936 a-Alanine, conf. I
380025.9136 0.7556 -5.7255 3 700.5616423 89502 303705812 695811 a-Alanine, conf. I
380025.9136 0.7556 -5.7255 3 700.5616423 89502 303705813 695812 a-Alanine, conf. I
380026.4636 1.0965 -5.0077 3 528.6896417 89502 303693633 683632 a-Alanine, conf. I
380026.4636 1.0965 -5.0077 3 528.6896417 89502 303693634 683633 a-Alanine, conf. I
380103.2328 0.5526 -4.5632 3 472.4265417 89502 303692148 682247 a-Alanine, conf. I
380134.5069 0.7257 -5.6752 3 691.6020423 89502 303705713 695712 a-Alanine, conf. I
380134.5069 0.7257 -5.6752 3 691.6020423 89502 303705714 695713 a-Alanine, conf. I
380186.1979 0.5546 -4.8356 3 509.5614453 89502 303751362 741361 a-Alanine, conf. I
380186.1979 0.5546 -4.3362 3 509.5614453 89502 303751362 741461 a-Alanine, conf. I
380186.1979 0.5546 -4.3362 3 509.5614453 89502 303751462 741361 a-Alanine, conf. I
380186.1979 0.5546 -4.8356 3 509.5614453 89502 303751462 741461 a-Alanine, conf. I
380226.1781 0.5390 -4.8120 3 472.4265417 89502 303692248 682247 a-Alanine, conf. I
380227.9017 2.7775 -4.9370 3 209.2555279 89502 303461630 451531 a-Alanine, conf. I
380228.7213 1.6590 -4.6432 3 450.6061405 89502 303672345 662244 a-Alanine, conf. I
380250.4986 0.7004 -5.6279 3 682.8026423 89502 303705614 695613 a-Alanine, conf. I
380250.4986 0.7004 -5.6279 3 682.8026423 89502 303705615 695614 a-Alanine, conf. I
380286.0311 1.5932 -4.8675 3 483.2912411 89502 303682940 672939 a-Alanine, conf. I
380314.8493 1.6104 -4.8675 3 483.2920411 89502 303682939 672938 a-Alanine, conf. I
380343.4977 0.5343 -4.8117 3 472.4184417 89502 303692148 682147 a-Alanine, conf. I
380353.7877 0.3146 -5.1976 3 288.2955321 89502 303532231 522131 a-Alanine, conf. I
380356.3419 0.3867 -5.4033 3 227.5773309 89502 30351 843 50 743 a-Alanine, conf. I
380356.3419 0.3867 -5.4033 3 227.5773309 89502 30351 943 50 843 a-Alanine, conf. I
380374.4342 0.6800 -5.5831 3 674.1637423 89502 303705515 695514 a-Alanine, conf. I
380374.4342 0.6800 -5.5831 3 674.1637423 89502 303705516 695515 a-Alanine, conf. I
380379.4226 0.6964 -5.2723 3 255.6596315 89502 303521339 511239 a-Alanine, conf. I
380380.0361 0.6962 -5.2723 3 255.6596315 89502 303521439 511339 a-Alanine, conf. I
380463.7913 0.6184 -4.8222 3 526.4434483 89502 30380 674 79 673 a-Alanine, conf. I
380463.7913 0.6184 -4.2329 3 526.4434483 89502 30380 674 79 773 a-Alanine, conf. I
380463.7913 0.6184 -4.2329 3 526.4434483 89502 30380 774 79 673 a-Alanine, conf. I
380463.7913 0.6184 -4.8222 3 526.4434483 89502 30380 774 79 773 a-Alanine, conf. I
380466.4430 0.5356 -4.5623 3 472.4184417 89502 303692248 682147 a-Alanine, conf. I
380506.9151 0.6649 -5.5406 3 665.6857423 89502 303705416 695415 a-Alanine, conf. I
380506.9151 0.6649 -5.5406 3 665.6857423 89502 303705417 695416 a-Alanine, conf. I
380518.9517 0.0983 -5.0890 3 236.3702255 89502 3034233 9 4132 9 a-Alanine, conf. I
380518.9517 0.0983 -3.9702 3 236.3702255 89502 3034233 9 413210 a-Alanine, conf. I
380518.9517 0.0983 -3.9702 3 236.3702255 89502 303423310 4132 9 a-Alanine, conf. I
380518.9517 0.0983 -5.0890 3 236.3702255 89502 303423310 413210 a-Alanine, conf. I
380606.1568 3.1159 -4.6065 3 330.0877345 89502 303572236 562135 a-Alanine, conf. I
380614.7093 1.1567 -4.9866 3 523.4157417 89502 303693534 683533 a-Alanine, conf. I
380614.7093 1.1567 -4.9866 3 523.4157417 89502 303693535 683534 a-Alanine, conf. I
380648.6069 0.6552 -5.5001 3 657.3691423 89502 303705317 695316 a-Alanine, conf. I
380648.6069 0.6552 -5.5001 3 657.3691423 89502 303705318 695317 a-Alanine, conf. I
380686.6968 1.1322 -5.2331 3 274.8843321 89502 303531637 521537 a-Alanine, conf. I
380758.8311 0.5633 -4.8354 3 500.7294441 89502 303731657 721656 a-Alanine, conf. I
380758.8311 0.5633 -4.3959 3 500.7294441 89502 303731657 721756 a-Alanine, conf. I
380758.8311 0.5633 -4.8354 3 500.7294441 89502 303731757 721756 a-Alanine, conf. I
380758.8312 0.5633 -4.3959 3 500.7294441 89502 303731757 721656 a-Alanine, conf. I
380788.8196 2.7075 -4.6306 3 273.3300315 89502 303522032 511933 a-Alanine, conf. I
380800.2471 0.6511 -5.4615 3 649.2142423 89502 303705218 695217 a-Alanine, conf. I
380800.2471 0.6511 -5.4615 3 649.2142423 89502 303705219 695218 a-Alanine, conf. I
380847.0999 0.5498 -4.5142 3 481.2060423 89502 303702050 692149 a-Alanine, conf. I
380854.5122 0.5494 -4.8212 3 481.2060423 89502 303702150 692149 a-Alanine, conf. I
380862.4698 0.5491 -4.8211 3 481.2055423 89502 303702050 692049 a-Alanine, conf. I
380869.8821 0.5488 -4.5141 3 481.2055423 89502 303702150 692049 a-Alanine, conf. I
380911.2294 1.0781 -5.2327 3 274.8869321 89502 303531737 521637 a-Alanine, conf. I
380962.6565 0.6525 -5.4246 3 641.2217423 89502 303705119 695118 a-Alanine, conf. I
380962.6565 0.6525 -5.4246 3 641.2217423 89502 303705120 695119 a-Alanine, conf. I
380981.8891 0.9737 -4.8072 3 533.0588501 89502 30383 281 82 280 a-Alanine, conf. I
380981.8891 0.9737 -4.1840 3 533.0588501 89502 30383 281 82 380 a-Alanine, conf. I
380981.8891 0.9737 -4.1840 3 533.0588501 89502 30383 381 82 280 a-Alanine, conf. I
380981.8891 0.9737 -4.8072 3 533.0588501 89502 30383 381 82 380 a-Alanine, conf. I
381002.7909 0.5794 -4.7979 3 463.1968411 89502 303682246 672245 a-Alanine, conf. I
381026.3853 0.5481 -4.8320 3 522.3388471 89502 30378 969 77 968 a-Alanine, conf. I
381026.3853 0.5481 -4.2749 3 522.3388471 89502 30378 969 771068 a-Alanine, conf. I
381026.3853 0.5481 -4.2749 3 522.3388471 89502 303781069 77 968 a-Alanine, conf. I
381026.3853 0.5481 -4.8320 3 522.3388471 89502 303781069 771068 a-Alanine, conf. I
381136.7508 0.6594 -5.3892 3 633.3919423 89502 303705020 695019 a-Alanine, conf. I
381136.7508 0.6594 -5.3892 3 633.3919423 89502 303705021 695020 a-Alanine, conf. I
381191.1567 0.7020 -5.1398 3 157.2235249 89502 303411130 401031 a-Alanine, conf. I
381201.5029 0.1036 -5.0979 3 239.1264261 89502 303433211 423111 a-Alanine, conf. I
381201.5029 0.1036 -3.9925 3 239.1264261 89502 303433211 423112 a-Alanine, conf. I
381201.5029 0.1036 -3.9925 3 239.1264261 89502 303433212 423111 a-Alanine, conf. I
381201.5029 0.1036 -5.0979 3 239.1264261 89502 303433212 423112 a-Alanine, conf. I
381226.1933 0.9990 -5.2096 3 293.0911327 89502 303542035 531935 a-Alanine, conf. I
381234.1598 0.6968 -5.1397 3 157.2235249 89502 303411230 40 931 a-Alanine, conf. I
381236.7604 4.0494 -5.7579 3 810.4224537 89502 303893357 883454 a-Alanine, conf. I
381274.4312 1.2226 -4.9661 3 518.3305417 89502 303693436 683435 a-Alanine, conf. I
381274.4320 1.2226 -4.9661 3 518.3305417 89502 303693435 683434 a-Alanine, conf. I
381314.8049 4.2443 -4.6924 3 413.4570387 89502 303642342 632241 a-Alanine, conf. I
381323.5551 0.6715 -5.3553 3 625.7254423 89502 303704921 694920 a-Alanine, conf. I
381323.5551 0.6715 -5.3553 3 625.7254423 89502 303704922 694921 a-Alanine, conf. I
381512.7843 0.3909 -5.4454 3 223.3121309 89502 30351 744 50 644 a-Alanine, conf. I
381512.7843 0.3909 -5.4454 3 223.3121309 89502 30351 844 50 744 a-Alanine, conf. I
381515.4700 0.5552 -4.8379 3 516.2501459 89502 303761264 751263 a-Alanine, conf. I
381515.4700 0.5552 -4.3215 3 516.2501459 89502 303761264 751363 a-Alanine, conf. I
381515.4700 0.5552 -4.3215 3 516.2501459 89502 303761364 751263 a-Alanine, conf. I
381515.4700 0.5552 -4.8379 3 516.2501459 89502 303761364 751363 a-Alanine, conf. I
381524.2218 0.6884 -5.3227 3 618.2230423 89502 303704822 694821 a-Alanine, conf. I
381524.2218 0.6884 -5.3227 3 618.2230423 89502 303704823 694822 a-Alanine, conf. I
381585.0911 7.3854 -5.7738 3 831.2865543 89502 303903457 893554 a-Alanine, conf. I
381690.2285 2.7563 -4.8050 3 460.0874405 89502 303672641 662640 a-Alanine, conf. I
381732.5629 0.6840 -4.8217 3 531.5857489 89502 30381 576 80 575 a-Alanine, conf. I
381732.5629 0.6840 -4.2229 3 531.5857489 89502 30381 576 80 675 a-Alanine, conf. I
381732.5629 0.6840 -4.2229 3 531.5857489 89502 30381 676 80 575 a-Alanine, conf. I
381732.5629 0.6840 -4.8217 3 531.5857489 89502 30381 676 80 675 a-Alanine, conf. I
381740.0511 0.7099 -5.2913 3 610.8854423 89502 303704723 694722 a-Alanine, conf. I
381740.0511 0.7099 -5.2913 3 610.8854423 89502 303704724 694723 a-Alanine, conf. I
381746.8807 0.5593 -4.4773 3 489.6662429 89502 303711952 702051 a-Alanine, conf. I
381747.2360 0.5593 -4.8288 3 489.6662429 89502 303712052 702051 a-Alanine, conf. I
381747.6536 0.5593 -4.8288 3 489.6662429 89502 303711952 701951 a-Alanine, conf. I
381748.0089 0.5593 -4.4773 3 489.6662429 89502 303712052 701951 a-Alanine, conf. I
381824.5132 1.7266 -4.8494 3 479.4649411 89502 303682841 672840 a-Alanine, conf. I
381848.8571 0.4763 -4.7558 3 440.4614399 89502 303662343 652342 a-Alanine, conf. I
381859.4330 0.1118 -5.1069 3 242.2446267 89502 303443113 433013 a-Alanine, conf. I
381859.4330 0.1118 -4.0163 3 242.2446267 89502 303443113 433014 a-Alanine, conf. I
381859.4330 0.1118 -4.0163 3 242.2446267 89502 303443114 433013 a-Alanine, conf. I
381859.4330 0.1118 -5.1069 3 242.2446267 89502 303443114 433014 a-Alanine, conf. I
381965.6902 0.9290 -4.4654 3 298.3628327 89502 303542233 532132 a-Alanine, conf. I
381972.5170 0.7356 -5.2611 3 603.7133423 89502 303704624 694623 a-Alanine, conf. I
381972.5170 0.7356 -5.2611 3 603.7133423 89502 303704625 694624 a-Alanine, conf. I
382020.5212 1.2957 -4.9461 3 513.4393417 89502 303693337 683336 a-Alanine, conf. I
382020.5298 1.2957 -4.9461 3 513.4393417 89502 303693336 683335 a-Alanine, conf. I
382020.5848 1.8328 -4.8490 3 479.4713411 89502 303682840 672839 a-Alanine, conf. I
382034.5990 0.5688 -4.8394 3 508.1251447 89502 303741559 731558 a-Alanine, conf. I
382034.5990 0.5688 -4.3764 3 508.1251447 89502 303741559 731658 a-Alanine, conf. I
382034.5990 0.5688 -4.3764 3 508.1251447 89502 303741659 731558 a-Alanine, conf. I
382034.5990 0.5688 -4.8394 3 508.1251447 89502 303741659 731658 a-Alanine, conf. I
382168.9820 1.1231 -4.8053 3 537.3277507 89502 30384 183 83 182 a-Alanine, conf. I
382168.9820 1.1231 -4.1749 3 537.3277507 89502 30384 183 83 282 a-Alanine, conf. I
382168.9820 1.1231 -4.1749 3 537.3277507 89502 30384 283 83 182 a-Alanine, conf. I
382168.9820 1.1231 -4.8053 3 537.3277507 89502 30384 283 83 282 a-Alanine, conf. I
382220.3961 0.2357 -5.1940 3 288.2029321 89502 303532232 522132 a-Alanine, conf. I
382223.2986 0.7650 -5.2319 3 596.7076423 89502 303704525 694524 a-Alanine, conf. I
382223.2986 0.7650 -5.2319 3 596.7076423 89502 303704526 694525 a-Alanine, conf. I
382229.8008 1.5002 -4.5260 3 285.6129321 89502 303532132 522033 a-Alanine, conf. I
382239.9004 0.6048 -5.2909 3 252.0488315 89502 303521240 511140 a-Alanine, conf. I
382239.9489 0.6048 -5.2909 3 252.0488315 89502 303521340 511240 a-Alanine, conf. I
382338.2372 0.5654 -4.8326 3 528.1442477 89502 30379 871 78 870 a-Alanine, conf. I
382338.2372 0.5654 -4.2636 3 528.1442477 89502 30379 871 78 970 a-Alanine, conf. I
382338.2372 0.5654 -4.2636 3 528.1442477 89502 30379 971 78 870 a-Alanine, conf. I
382338.2372 0.5654 -4.8326 3 528.1442477 89502 30379 971 78 970 a-Alanine, conf. I
382339.1316 0.3251 -5.0185 3 192.5935267 89502 303441728 431429 a-Alanine, conf. I
382342.6548 0.1678 -5.0466 3 234.6011231 89502 3033838 0 3737 0 a-Alanine, conf. I
382342.6548 0.1678 -3.8812 3 234.6011231 89502 3033838 0 3737 1 a-Alanine, conf. I
382342.6548 0.1678 -3.8812 3 234.6011231 89502 3033838 1 3737 0 a-Alanine, conf. I
382342.6548 0.1678 -5.0466 3 234.6011231 89502 3033838 1 3737 1 a-Alanine, conf. I
382376.2978 1.0264 -5.6573 3 145.8037231 89502 303381722 371423 a-Alanine, conf. I
382483.2353 0.1215 -5.1161 3 245.7298273 89502 303453015 442915 a-Alanine, conf. I
382483.2353 0.1215 -4.0419 3 245.7298273 89502 303453015 442916 a-Alanine, conf. I
382483.2353 0.1215 -4.0419 3 245.7298273 89502 303453016 442915 a-Alanine, conf. I
382483.2353 0.1215 -5.1161 3 245.7298273 89502 303453016 442916 a-Alanine, conf. I
382494.3190 0.7980 -5.2038 3 589.8693423 89502 303704426 694425 a-Alanine, conf. I
382494.3190 0.7980 -5.2038 3 589.8693423 89502 303704427 694426 a-Alanine, conf. I
382542.0222 1.1038 -4.6296 3 463.1968411 89502 303682346 672245 a-Alanine, conf. I
382584.6096 0.4184 -5.4964 3 218.9071309 89502 30351 645 50 545 a-Alanine, conf. I
382584.6096 0.4184 -5.4964 3 218.9071309 89502 30351 745 50 645 a-Alanine, conf. I
382657.5254 0.5776 -5.2029 3 295.6189327 89502 303542134 532034 a-Alanine, conf. I
382747.4864 2.3108 -4.5579 3 319.2551339 89502 303562235 552134 a-Alanine, conf. I
382787.7942 0.8342 -5.1767 3 583.1995423 89502 303704327 694326 a-Alanine, conf. I
382787.7942 0.8342 -5.1767 3 583.1995423 89502 303704328 694327 a-Alanine, conf. I
382812.2712 0.5684 -4.4476 3 497.8426435 89502 303721854 711953 a-Alanine, conf. I
382812.2851 0.5684 -4.8352 3 497.8426435 89502 303721954 711953 a-Alanine, conf. I
382812.3027 0.5684 -4.8352 3 497.8426435 89502 303721854 711853 a-Alanine, conf. I
382812.3166 0.5684 -4.4476 3 497.8426435 89502 303721954 711853 a-Alanine, conf. I
382818.9597 1.2444 -5.2168 3 290.4466327 89502 303541936 531836 a-Alanine, conf. I
382846.4965 0.5561 -4.8398 3 522.7260465 89502 303771166 761165 a-Alanine, conf. I
382846.4965 0.5561 -4.3081 3 522.7260465 89502 303771166 761265 a-Alanine, conf. I
382846.4965 0.5561 -4.3081 3 522.7260465 89502 303771266 761165 a-Alanine, conf. I
382846.4965 0.5561 -4.8398 3 522.7260465 89502 303771266 761265 a-Alanine, conf. I
382873.1771 1.3783 -4.9268 3 508.7486417 89502 303693238 683237 a-Alanine, conf. I
382873.2709 1.3784 -4.9268 3 508.7486417 89502 303693237 683236 a-Alanine, conf. I
382981.4078 0.7713 -4.8209 3 536.5210495 89502 30382 478 81 477 a-Alanine, conf. I
382981.4078 0.7713 -4.2133 3 536.5210495 89502 30382 478 81 577 a-Alanine, conf. I
382981.4078 0.7713 -4.2133 3 536.5210495 89502 30382 578 81 477 a-Alanine, conf. I
382981.4078 0.7713 -4.8209 3 536.5210495 89502 30382 578 81 577 a-Alanine, conf. I
383044.9997 1.0232 -4.9696 3 190.3946267 89502 303441629 431330 a-Alanine, conf. I
383045.3025 5.5908 -4.8467 3 495.3665423 89502 303702446 692545 a-Alanine, conf. I
383059.6106 0.1321 -5.1253 3 249.5883279 89502 303462917 452817 a-Alanine, conf. I
383059.6106 0.1321 -4.0698 3 249.5883279 89502 303462917 452818 a-Alanine, conf. I
383059.6106 0.1321 -4.0698 3 249.5883279 89502 303462918 452817 a-Alanine, conf. I
383059.6106 0.1321 -5.1253 3 249.5883279 89502 303462918 452818 a-Alanine, conf. I
383072.8586 0.1388 -5.0548 3 235.7826237 89502 3033937 2 3836 2 a-Alanine, conf. I
383072.8586 0.1388 -3.8981 3 235.7826237 89502 3033937 2 3836 3 a-Alanine, conf. I
383072.8586 0.1388 -3.8981 3 235.7826237 89502 3033937 3 3836 2 a-Alanine, conf. I
383072.8586 0.1388 -5.0548 3 235.7826237 89502 3033937 3 3836 3 a-Alanine, conf. I
383093.4107 2.5189 -4.7236 3 479.2410417 89502 303692346 682445 a-Alanine, conf. I
383106.2951 0.8735 -5.1505 3 576.6996423 89502 303704228 694227 a-Alanine, conf. I
383106.2951 0.8735 -5.1505 3 576.6996423 89502 303704229 694228 a-Alanine, conf. I
383129.2234 0.4217 -4.4222 3 288.2029321 89502 303532231 522132 a-Alanine, conf. I
383130.2919 0.7481 -4.8010 3 466.4611411 89502 303682445 672444 a-Alanine, conf. I
383145.5583 0.1866 -4.3329 3 281.2758315 89502 303522330 512229 a-Alanine, conf. I
383176.4768 1.5375 -4.5092 3 308.6796333 89502 303552234 542133 a-Alanine, conf. I
383203.2799 0.1882 -5.1840 3 281.2758315 89502 303522329 512229 a-Alanine, conf. I
383251.6263 0.7882 -4.6248 3 475.9571417 89502 303692247 682346 a-Alanine, conf. I
383330.9158 1.2934 -4.8031 3 541.3857513 89502 30385 085 84 084 a-Alanine, conf. I
383330.9158 1.2934 -4.1661 3 541.3857513 89502 30385 085 84 184 a-Alanine, conf. I
383330.9158 1.2934 -4.1661 3 541.3857513 89502 30385 185 84 084 a-Alanine, conf. I
383330.9158 1.2934 -4.8031 3 541.3857513 89502 30385 185 84 184 a-Alanine, conf. I
383339.3806 0.5722 -4.8428 3 515.2942453 89502 303751461 741460 a-Alanine, conf. I
383339.3806 0.5722 -4.3592 3 515.2942453 89502 303751461 741560 a-Alanine, conf. I
383339.3806 0.5722 -4.3592 3 515.2942453 89502 303751561 741460 a-Alanine, conf. I
383339.3806 0.5722 -4.8428 3 515.2942453 89502 303751561 741560 a-Alanine, conf. I
383356.4423 0.1971 -5.1836 3 281.2688315 89502 303522330 512230 a-Alanine, conf. I
383414.1639 0.2034 -4.3324 3 281.2688315 89502 303522329 512230 a-Alanine, conf. I
383452.8269 0.9157 -5.1252 3 570.3710423 89502 303704129 694128 a-Alanine, conf. I
383452.8269 0.9157 -5.1252 3 570.3710423 89502 303704130 694129 a-Alanine, conf. I
383536.2166 1.8026 -4.8317 3 475.9019411 89502 303682742 672741 a-Alanine, conf. I
383569.5895 0.1434 -5.1347 3 253.8281285 89502 303472819 462719 a-Alanine, conf. I
383569.5895 0.1434 -4.1003 3 253.8281285 89502 303472819 462720 a-Alanine, conf. I
383569.5895 0.1434 -4.1003 3 253.8281285 89502 303472820 462719 a-Alanine, conf. I
383569.5895 0.1434 -5.1347 3 253.8281285 89502 303472820 462720 a-Alanine, conf. I
383583.2608 0.4648 -5.5595 3 214.3650309 89502 30351 546 50 446 a-Alanine, conf. I
383583.2608 0.4648 -5.5595 3 214.3650309 89502 30351 646 50 546 a-Alanine, conf. I
383636.1667 0.5963 -4.8330 3 533.7426483 89502 30380 773 79 772 a-Alanine, conf. I
383636.1667 0.5963 -4.2530 3 533.7426483 89502 30380 773 79 872 a-Alanine, conf. I
383636.1667 0.5963 -4.2530 3 533.7426483 89502 30380 873 79 772 a-Alanine, conf. I
383636.1667 0.5963 -4.8330 3 533.7426483 89502 30380 873 79 872 a-Alanine, conf. I
383665.6773 0.9502 -5.2437 3 271.7151321 89502 303531538 521438 a-Alanine, conf. I
383694.2928 0.9429 -5.2437 3 271.7154321 89502 303531638 521538 a-Alanine, conf. I
383748.6731 0.4695 -5.2871 3 144.4230243 89502 30340 931 39 832 a-Alanine, conf. I
383749.3609 0.4694 -5.2871 3 144.4230243 89502 303401031 39 732 a-Alanine, conf. I
383753.0865 0.4825 -5.2022 3 298.3628327 89502 303542232 532132 a-Alanine, conf. I
383797.9095 0.1178 -5.0631 3 237.3123243 89502 3034036 4 3935 4 a-Alanine, conf. I
383797.9095 0.1178 -3.9159 3 237.3123243 89502 3034036 4 3935 5 a-Alanine, conf. I
383797.9095 0.1178 -3.9159 3 237.3123243 89502 3034036 5 3935 4 a-Alanine, conf. I
383797.9095 0.1178 -5.0631 3 237.3123243 89502 3034036 5 3935 5 a-Alanine, conf. I
383830.9329 0.9610 -5.1007 3 564.2153423 89502 303704030 694029 a-Alanine, conf. I
383830.9329 0.9610 -5.1007 3 564.2153423 89502 303704031 694030 a-Alanine, conf. I
383860.7544 1.4741 -4.9079 3 504.2666417 89502 303693139 683138 a-Alanine, conf. I
383861.6697 1.4748 -4.9079 3 504.2666417 89502 303693138 683137 a-Alanine, conf. I
383893.4777 0.5279 -5.3127 3 248.2749315 89502 303521141 511041 a-Alanine, conf. I
383893.4809 0.5279 -5.3127 3 248.2749315 89502 303521241 511141 a-Alanine, conf. I
383981.3313 1.2797 -5.2128 3 328.3534345 89502 303572136 562036 a-Alanine, conf. I
383984.0369 0.5767 -4.4228 3 505.7586441 89502 303731756 721855 a-Alanine, conf. I
383984.0373 0.5767 -4.8407 3 505.7586441 89502 303731856 721855 a-Alanine, conf. I
383984.0379 0.5767 -4.8407 3 505.7586441 89502 303731756 721755 a-Alanine, conf. I
383984.0384 0.5767 -4.4228 3 505.7586441 89502 303731856 721755 a-Alanine, conf. I
383985.3716 0.1553 -5.1441 3 258.4595291 89502 303482721 472621 a-Alanine, conf. I
383985.3716 0.1553 -4.1340 3 258.4595291 89502 303482722 472621 a-Alanine, conf. I
383985.3718 0.1553 -5.1441 3 258.4595291 89502 303482722 472622 a-Alanine, conf. I
383985.3719 0.1553 -4.1340 3 258.4595291 89502 303482721 472622 a-Alanine, conf. I
384084.0545 0.1889 -4.2675 3 274.8680309 89502 303512428 502327 a-Alanine, conf. I
384086.6409 0.1892 -5.1734 3 274.8680309 89502 303512427 502327 a-Alanine, conf. I
384087.5968 0.5601 -4.8114 3 475.9571417 89502 303692347 682346 a-Alanine, conf. I
384094.8509 0.1899 -5.1733 3 274.8676309 89502 303512428 502328 a-Alanine, conf. I
384097.4374 0.1902 -4.2674 3 274.8676309 89502 303512427 502328 a-Alanine, conf. I
384173.7411 0.5595 -4.8414 3 528.9916471 89502 303781068 771067 a-Alanine, conf. I
384173.7411 0.5595 -4.2957 3 528.9916471 89502 303781068 771167 a-Alanine, conf. I
384173.7411 0.5595 -4.2957 3 528.9916471 89502 303781168 771067 a-Alanine, conf. I
384173.7411 0.5595 -4.8414 3 528.9916471 89502 303781168 771167 a-Alanine, conf. I
384208.6991 0.8809 -4.8198 3 541.2484501 89502 30383 380 82 379 a-Alanine, conf. I
384208.6991 0.8809 -4.2040 3 541.2484501 89502 30383 380 82 479 a-Alanine, conf. I
384208.6991 0.8809 -4.2040 3 541.2484501 89502 30383 480 82 379 a-Alanine, conf. I
384208.6991 0.8809 -4.8198 3 541.2484501 89502 30383 480 82 479 a-Alanine, conf. I
384244.8323 1.0093 -5.0771 3 558.2345423 89502 303703931 693930 a-Alanine, conf. I
384244.8323 1.0093 -5.0771 3 558.2345423 89502 303703932 693931 a-Alanine, conf. I
384264.6348 0.1677 -4.1720 3 263.4961297 89502 303492624 482523 a-Alanine, conf. I
384264.6369 0.1677 -5.1537 3 263.4961297 89502 303492623 482523 a-Alanine, conf. I
384264.6456 0.1677 -5.1537 3 263.4961297 89502 303492624 482524 a-Alanine, conf. I
384264.6477 0.1677 -4.1720 3 263.4961297 89502 303492623 482524 a-Alanine, conf. I
384339.1307 0.1799 -4.2156 3 268.9565303 89502 303502526 492425 a-Alanine, conf. I
384339.2158 0.1799 -5.1634 3 268.9565303 89502 303502525 492425 a-Alanine, conf. I
384339.5284 0.1799 -5.1634 3 268.9565303 89502 303502526 492426 a-Alanine, conf. I
384339.6136 0.1799 -4.2156 3 268.9565303 89502 303502525 492426 a-Alanine, conf. I
384465.1759 0.5652 -4.5583 3 485.1094423 89502 303702149 692248 a-Alanine, conf. I
384466.1334 0.3313 -5.7787 3 118.7681231 89502 30338 533 37 434 a-Alanine, conf. I
384466.1335 0.3313 -5.7787 3 118.7681231 89502 30338 633 37 334 a-Alanine, conf. I
384515.5430 0.1055 -5.0716 3 239.1922249 89502 3034135 6 4034 6 a-Alanine, conf. I
384515.5430 0.1055 -3.9347 3 239.1922249 89502 3034135 6 4034 7 a-Alanine, conf. I
384515.5430 0.1055 -3.9347 3 239.1922249 89502 3034135 7 4034 6 a-Alanine, conf. I
384515.5430 0.1055 -5.0716 3 239.1922249 89502 3034135 7 4034 7 a-Alanine, conf. I
384518.0196 0.5251 -5.6403 3 209.6879309 89502 30351 447 50 347 a-Alanine, conf. I
384518.0196 0.5251 -5.6403 3 209.6879309 89502 30351 547 50 447 a-Alanine, conf. I
384525.0115 2.0636 -4.7524 3 442.4206399 89502 303662442 652441 a-Alanine, conf. I
384527.1557 0.5596 -4.8222 3 485.1094423 89502 303702249 692248 a-Alanine, conf. I
384560.8378 0.2505 -5.6955 3 136.3879225 89502 303371621 361324 a-Alanine, conf. I
384583.7448 0.8714 -5.0820 3 167.2557255 89502 303421230 411131 a-Alanine, conf. I
384588.1212 0.5568 -4.8220 3 485.1053423 89502 303702149 692148 a-Alanine, conf. I
384629.9721 2.3201 -4.8292 3 475.9434411 89502 303682741 672740 a-Alanine, conf. I
384647.4972 0.3314 -5.4879 3 131.5925237 89502 30339 732 38 633 a-Alanine, conf. I
384647.5030 0.3314 -5.4879 3 131.5925237 89502 30339 832 38 533 a-Alanine, conf. I
384650.1011 0.5554 -4.5579 3 485.1053423 89502 303702249 692148 a-Alanine, conf. I
384660.5731 0.5739 -4.8458 3 522.2431459 89502 303761363 751362 a-Alanine, conf. I
384660.5731 0.5739 -4.3437 3 522.2431459 89502 303761363 751462 a-Alanine, conf. I
384660.5731 0.5739 -4.3437 3 522.2431459 89502 303761463 751362 a-Alanine, conf. I
384660.5731 0.5739 -4.8458 3 522.2431459 89502 303761463 751462 a-Alanine, conf. I
384699.6062 1.0609 -5.0541 3 552.4309423 89502 303703832 693831 a-Alanine, conf. I
384699.6062 1.0609 -5.0541 3 552.4309423 89502 303703833 693832 a-Alanine, conf. I
384770.5523 0.8480 -5.0817 3 167.2555255 89502 303421330 411031 a-Alanine, conf. I
384771.6914 0.8568 -5.7428 3 138.6330225 89502 303371721 361422 a-Alanine, conf. I
384790.8576 0.5585 -4.8095 3 475.9057417 89502 303692247 682246 a-Alanine, conf. I
384802.0599 4.8294 -4.7001 3 401.2837381 89502 303632341 622240 a-Alanine, conf. I
384917.6941 0.6445 -4.8330 3 539.1343489 89502 30381 675 80 674 a-Alanine, conf. I
384917.6941 0.6445 -4.2430 3 539.1343489 89502 30381 675 80 774 a-Alanine, conf. I
384917.6941 0.6445 -4.2430 3 539.1343489 89502 30381 775 80 674 a-Alanine, conf. I
384917.6941 0.6445 -4.8330 3 539.1343489 89502 30381 775 80 774 a-Alanine, conf. I
384930.6084 1.6564 -4.8160 3 472.6033411 89502 303682643 672642 a-Alanine, conf. I
385013.7919 1.2124 -4.8051 3 469.5070411 89502 303682544 672543 a-Alanine, conf. I
385022.0645 0.7261 -4.7712 3 453.1985405 89502 303672344 662343 a-Alanine, conf. I
385023.6632 1.5882 -4.8893 3 500.0042417 89502 303693040 683039 a-Alanine, conf. I
385031.5554 1.5934 -4.8893 3 500.0044417 89502 303693039 683038 a-Alanine, conf. I
385071.5126 1.4144 -5.2262 3 287.5827327 89502 303541737 531637 a-Alanine, conf. I
385201.4554 1.1162 -5.0320 3 546.8070423 89502 303703733 693732 a-Alanine, conf. I
385201.4554 1.1162 -5.0320 3 546.8070423 89502 303703734 693733 a-Alanine, conf. I
385218.3444 0.5706 -4.5136 3 493.9099429 89502 303712051 702150 a-Alanine, conf. I
385221.8798 0.5705 -4.8313 3 493.9099429 89502 303712151 702150 a-Alanine, conf. I
385222.6967 0.1016 -5.0803 3 241.4249255 89502 3034234 8 4133 8 a-Alanine, conf. I
385222.6967 0.1016 -3.9547 3 241.4249255 89502 3034234 8 4133 9 a-Alanine, conf. I
385222.6967 0.1016 -3.9547 3 241.4249255 89502 3034234 9 4133 8 a-Alanine, conf. I
385222.6967 0.1016 -5.0803 3 241.4249255 89502 3034234 9 4133 9 a-Alanine, conf. I
385223.1221 0.5837 -4.4016 3 513.4302447 89502 303741658 731757 a-Alanine, conf. I
385223.1221 0.5837 -4.8455 3 513.4302447 89502 303741758 731757 a-Alanine, conf. I
385223.1222 0.5837 -4.8455 3 513.4302447 89502 303741658 731657 a-Alanine, conf. I
385223.1222 0.5837 -4.4016 3 513.4302447 89502 303741758 731657 a-Alanine, conf. I
385225.7566 0.5703 -4.8313 3 493.9097429 89502 303712051 702050 a-Alanine, conf. I
385229.2920 0.5702 -4.5136 3 493.9097429 89502 303712151 702050 a-Alanine, conf. I
385381.9059 0.7942 -5.7583 3 722.3540429 89502 303715912 705911 a-Alanine, conf. I
385381.9059 0.7942 -5.7583 3 722.3540429 89502 303715913 705912 a-Alanine, conf. I
385382.8985 0.4673 -5.3382 3 244.3450315 89502 303521042 51 942 a-Alanine, conf. I
385382.8987 0.4673 -5.3382 3 244.3450315 89502 303521142 511042 a-Alanine, conf. I
385396.5348 0.5950 -5.7490 3 204.8776309 89502 30351 348 50 248 a-Alanine, conf. I
385396.5348 0.5950 -5.7490 3 204.8776309 89502 30351 448 50 348 a-Alanine, conf. I
385412.9951 1.0126 -4.8185 3 545.7670507 89502 30384 282 83 281 a-Alanine, conf. I
385412.9951 1.0126 -4.1951 3 545.7670507 89502 30384 282 83 381 a-Alanine, conf. I
385412.9951 1.0126 -4.1951 3 545.7670507 89502 30384 382 83 281 a-Alanine, conf. I
385412.9951 1.0126 -4.8185 3 545.7670507 89502 30384 382 83 381 a-Alanine, conf. I
385488.4977 0.7626 -5.7077 3 713.2379429 89502 303715813 705812 a-Alanine, conf. I
385488.4977 0.7626 -5.7077 3 713.2379429 89502 303715814 705813 a-Alanine, conf. I
385492.8581 0.5686 -4.8426 3 535.0485477 89502 30379 970 78 969 a-Alanine, conf. I
385492.8581 0.5686 -4.2842 3 535.0485477 89502 30379 970 781069 a-Alanine, conf. I
385492.8581 0.5686 -4.2842 3 535.0485477 89502 303791070 78 969 a-Alanine, conf. I
385492.8581 0.5686 -4.8426 3 535.0485477 89502 303791070 781069 a-Alanine, conf. I
385602.2881 0.7357 -5.6600 3 704.2819429 89502 303715714 705713 a-Alanine, conf. I
385602.2881 0.7357 -5.6600 3 704.2819429 89502 303715715 705714 a-Alanine, conf. I
385626.8280 0.7794 -4.6187 3 475.9057417 89502 303692347 682246 a-Alanine, conf. I
385723.7965 0.7136 -5.6148 3 695.4863429 89502 303715615 705614 a-Alanine, conf. I
385723.7965 0.7136 -5.6148 3 695.4863429 89502 303715616 705615 a-Alanine, conf. I
385758.0658 1.1758 -5.0105 3 541.3660423 89502 303703634 693633 a-Alanine, conf. I
385758.0658 1.1758 -5.0105 3 541.3660423 89502 303703635 693634 a-Alanine, conf. I
385840.2559 1.2307 -5.2245 3 287.5927327 89502 303541837 531737 a-Alanine, conf. I
385853.5946 0.6968 -5.5720 3 686.8516429 89502 303715516 705515 a-Alanine, conf. I
385853.5946 0.6968 -5.5720 3 686.8516429 89502 303715517 705516 a-Alanine, conf. I
385915.2300 0.1043 -5.0892 3 244.0133261 89502 303433310 423210 a-Alanine, conf. I
385915.2300 0.1043 -3.9760 3 244.0133261 89502 303433310 423211 a-Alanine, conf. I
385915.2300 0.1043 -3.9760 3 244.0133261 89502 303433311 423210 a-Alanine, conf. I
385915.2300 0.1043 -5.0892 3 244.0133261 89502 303433311 423211 a-Alanine, conf. I
385989.0641 0.5744 -4.8484 3 528.9761465 89502 303771265 761264 a-Alanine, conf. I
385989.0641 0.5744 -4.3297 3 528.9761465 89502 303771265 761364 a-Alanine, conf. I
385989.0641 0.5744 -4.3297 3 528.9761465 89502 303771365 761264 a-Alanine, conf. I
385989.0641 0.5744 -4.8484 3 528.9761465 89502 303771365 761364 a-Alanine, conf. I
385989.4616 3.7506 -4.7597 3 261.2990309 89502 303511932 501833 a-Alanine, conf. I
385992.3135 0.6855 -5.5311 3 678.3781429 89502 303715417 705416 a-Alanine, conf. I
385992.3135 0.6855 -5.5311 3 678.3781429 89502 303715418 705417 a-Alanine, conf. I
386072.2475 0.8203 -5.2571 3 268.3477321 89502 303531439 521339 a-Alanine, conf. I
386075.2696 0.8195 -5.2571 3 268.3477321 89502 303531539 521439 a-Alanine, conf. I
386140.6517 0.6799 -5.4921 3 670.0662429 89502 303715318 705317 a-Alanine, conf. I
386140.6517 0.6799 -5.4921 3 670.0662429 89502 303715319 705318 a-Alanine, conf. I
386159.9215 0.5803 -4.4793 3 502.3999435 89502 303721953 712052 a-Alanine, conf. I
386160.0834 0.5803 -4.8389 3 502.3999435 89502 303722053 712052 a-Alanine, conf. I
386160.2768 0.5803 -4.8389 3 502.3999435 89502 303721953 711952 a-Alanine, conf. I
386160.4387 0.5803 -4.4793 3 502.3999435 89502 303722053 711952 a-Alanine, conf. I
386180.7139 0.7132 -4.8328 3 544.3189495 89502 30382 577 81 576 a-Alanine, conf. I
386180.7139 0.7132 -4.2334 3 544.3189495 89502 30382 577 81 676 a-Alanine, conf. I
386180.7139 0.7132 -4.2334 3 544.3189495 89502 30382 677 81 576 a-Alanine, conf. I
386180.7139 0.7132 -4.8328 3 544.3189495 89502 30382 677 81 676 a-Alanine, conf. I
386247.5704 2.0514 -4.9666 3 198.4884273 89502 303451530 441431 a-Alanine, conf. I
386299.3842 0.6799 -5.4549 3 661.9164429 89502 303715219 705218 a-Alanine, conf. I
386299.3842 0.6799 -5.4549 3 661.9164429 89502 303715220 705219 a-Alanine, conf. I
386379.1431 1.2405 -4.9896 3 536.1116423 89502 303703536 693535 a-Alanine, conf. I
386379.1433 1.2405 -4.9896 3 536.1116423 89502 303703535 693534 a-Alanine, conf. I
386413.4957 1.7229 -4.8711 3 495.9762417 89502 303692941 682940 a-Alanine, conf. I
386469.3735 0.6854 -5.4191 3 653.9292429 89502 303715120 705119 a-Alanine, conf. I
386469.3735 0.6854 -5.4191 3 653.9292429 89502 303715121 705120 a-Alanine, conf. I
386472.6749 1.7585 -4.8710 3 495.9780417 89502 303692940 682939 a-Alanine, conf. I
386504.7180 0.5890 -4.8497 3 520.8684453 89502 303751560 741559 a-Alanine, conf. I
386504.7180 0.5890 -4.3831 3 520.8684453 89502 303751560 741659 a-Alanine, conf. I
386504.7180 0.5890 -4.3831 3 520.8684453 89502 303751660 741559 a-Alanine, conf. I
386504.7180 0.5890 -4.8497 3 520.8684453 89502 303751660 741659 a-Alanine, conf. I
386552.4545 0.6863 -5.2075 3 308.6796333 89502 303552233 542133 a-Alanine, conf. I
386587.5255 0.1112 -5.0982 3 246.9611267 89502 303443212 433112 a-Alanine, conf. I
386587.5255 0.1112 -3.9987 3 246.9611267 89502 303443212 433113 a-Alanine, conf. I
386587.5255 0.1112 -3.9987 3 246.9611267 89502 303443213 433112 a-Alanine, conf. I
386587.5255 0.1112 -5.0982 3 246.9611267 89502 303443213 433113 a-Alanine, conf. I
386593.0014 1.1660 -4.8168 3 550.0755513 89502 30385 184 84 183 a-Alanine, conf. I
386593.0014 1.1660 -4.1863 3 550.0755513 89502 30385 184 84 283 a-Alanine, conf. I
386593.0014 1.1660 -4.1863 3 550.0755513 89502 30385 284 84 183 a-Alanine, conf. I
386593.0014 1.1660 -4.8168 3 550.0755513 89502 30385 284 84 283 a-Alanine, conf. I
386651.5833 0.6963 -5.3848 3 646.1052429 89502 303715021 705020 a-Alanine, conf. I
386651.5833 0.6963 -5.3848 3 646.1052429 89502 303715022 705021 a-Alanine, conf. I
386738.3108 0.4264 -5.3680 3 240.2646315 89502 30352 943 51 843 a-Alanine, conf. I
386738.3108 0.4264 -5.3680 3 240.2646315 89502 303521043 51 943 a-Alanine, conf. I
386800.3535 0.5875 -4.8435 3 540.8976483 89502 30380 872 79 871 a-Alanine, conf. I
386800.3535 0.5875 -4.2734 3 540.8976483 89502 30380 872 79 971 a-Alanine, conf. I
386800.3535 0.5875 -4.2734 3 540.8976483 89502 30380 972 79 871 a-Alanine, conf. I
386800.3535 0.5875 -4.8435 3 540.8976483 89502 30380 972 79 971 a-Alanine, conf. I
386847.0931 0.7122 -5.3518 3 638.4450429 89502 303714922 704921 a-Alanine, conf. I
386847.0931 0.7122 -5.3518 3 638.4450429 89502 303714923 704922 a-Alanine, conf. I
387057.1180 0.7328 -5.3200 3 630.9493429 89502 303714823 704822 a-Alanine, conf. I
387057.1180 0.7328 -5.3200 3 630.9493429 89502 303714824 704823 a-Alanine, conf. I
387068.6694 0.2892 -5.1962 3 298.1925327 89502 303542233 532133 a-Alanine, conf. I
387077.2240 1.3116 -4.9694 3 531.0485423 89502 303703437 693436 a-Alanine, conf. I
387077.2258 1.3116 -4.9694 3 531.0485423 89502 303703436 693435 a-Alanine, conf. I
387111.5924 1.1023 -5.0335 3 177.4819261 89502 303431330 421231 a-Alanine, conf. I
387231.9105 0.1204 -5.1073 3 250.2728273 89502 303453114 443014 a-Alanine, conf. I
387231.9105 0.1204 -4.0231 3 250.2728273 89502 303453114 443015 a-Alanine, conf. I
387231.9105 0.1204 -4.0231 3 250.2728273 89502 303453115 443014 a-Alanine, conf. I
387231.9105 0.1204 -5.1073 3 250.2728273 89502 303453115 443015 a-Alanine, conf. I
387251.9458 0.5894 -4.4515 3 510.6118441 89502 303731855 721954 a-Alanine, conf. I
387251.9519 0.5894 -4.8454 3 510.6118441 89502 303731955 721954 a-Alanine, conf. I
387251.9597 0.5894 -4.8454 3 510.6118441 89502 303731855 721854 a-Alanine, conf. I
387251.9658 0.5894 -4.4515 3 510.6118441 89502 303731955 721854 a-Alanine, conf. I
387283.0306 0.7578 -5.2895 3 623.6189429 89502 303714724 704723 a-Alanine, conf. I
387283.0306 0.7578 -5.2895 3 623.6189429 89502 303714725 704724 a-Alanine, conf. I
387318.0365 0.5755 -4.8505 3 535.4964471 89502 303781167 771166 a-Alanine, conf. I
387318.0365 0.5755 -4.3169 3 535.4964471 89502 303781167 771266 a-Alanine, conf. I
387318.0365 0.5755 -4.3169 3 535.4964471 89502 303781267 771166 a-Alanine, conf. I
387318.0365 0.5755 -4.8505 3 535.4964471 89502 303781267 771266 a-Alanine, conf. I
387423.4085 0.8039 -4.8322 3 549.2959501 89502 30383 479 82 478 a-Alanine, conf. I
387423.4085 0.8039 -4.2242 3 549.2959501 89502 30383 479 82 578 a-Alanine, conf. I
387423.4085 0.8039 -4.2242 3 549.2959501 89502 30383 579 82 478 a-Alanine, conf. I
387423.4085 0.8039 -4.8322 3 549.2959501 89502 30383 579 82 578 a-Alanine, conf. I
387526.3890 0.7868 -5.2600 3 616.4545429 89502 303714625 704624 a-Alanine, conf. I
387526.3890 0.7868 -5.2600 3 616.4545429 89502 303714626 704625 a-Alanine, conf. I
387694.9530 0.2019 -4.3555 3 291.0224321 89502 303532331 522230 a-Alanine, conf. I
387706.3680 3.1466 -4.7763 3 457.3665405 89502 303672542 662541 a-Alanine, conf. I
387722.5802 0.6779 -4.8107 3 479.2410417 89502 303692446 682445 a-Alanine, conf. I
387747.5425 1.3405 -4.8149 3 554.1723519 89502 30386 086 85 085 a-Alanine, conf. I
387747.5425 1.3405 -4.1778 3 554.1723519 89502 30386 086 85 185 a-Alanine, conf. I
387747.5425 1.3405 -4.1778 3 554.1723519 89502 30386 186 85 085 a-Alanine, conf. I
387747.5425 1.3405 -4.8149 3 554.1723519 89502 30386 186 85 185 a-Alanine, conf. I
387760.6925 0.1589 -5.0468 3 241.4892237 89502 3033938 1 3837 1 a-Alanine, conf. I
387760.6925 0.1589 -3.8856 3 241.4892237 89502 3033938 1 3837 2 a-Alanine, conf. I
387760.6925 0.1589 -3.8856 3 241.4892237 89502 3033938 2 3837 1 a-Alanine, conf. I
387760.6925 0.1589 -5.0468 3 241.4892237 89502 3033938 2 3837 2 a-Alanine, conf. I
387788.9710 0.8194 -5.2315 3 609.4572429 89502 303714526 704525 a-Alanine, conf. I
387788.9710 0.8194 -5.2315 3 609.4572429 89502 303714527 704526 a-Alanine, conf. I
387812.2108 0.5922 -4.8533 3 528.0811459 89502 303761462 751461 a-Alanine, conf. I
387812.2108 0.5922 -4.3666 3 528.0811459 89502 303761462 751561 a-Alanine, conf. I
387812.2108 0.5922 -4.3666 3 528.0811459 89502 303761562 751461 a-Alanine, conf. I
387812.2108 0.5922 -4.8533 3 528.0811459 89502 303761562 751561 a-Alanine, conf. I
387822.3500 0.1965 -5.1864 3 291.0224321 89502 303532330 522230 a-Alanine, conf. I
387836.1674 1.0103 -5.0323 3 177.4813261 89502 303431430 421131 a-Alanine, conf. I
387837.7922 0.1308 -5.1166 3 253.9538279 89502 303463016 452916 a-Alanine, conf. I
387837.7922 0.1308 -4.0494 3 253.9538279 89502 303463016 452917 a-Alanine, conf. I
387837.7922 0.1308 -4.0494 3 253.9538279 89502 303463017 452916 a-Alanine, conf. I
387837.7922 0.1308 -5.1166 3 253.9538279 89502 303463017 452917 a-Alanine, conf. I
387868.9572 1.3910 -4.9498 3 526.1822423 89502 303703338 693337 a-Alanine, conf. I
387868.9784 1.3910 -4.9498 3 526.1822423 89502 303703337 693336 a-Alanine, conf. I
387913.2895 0.8608 -4.7869 3 466.0415411 89502 303682345 672344 a-Alanine, conf. I
387924.1488 0.6674 -4.6135 3 488.7689423 89502 303702248 692347 a-Alanine, conf. I
387982.0021 0.4091 -5.4033 3 236.0380315 89502 30352 844 51 744 a-Alanine, conf. I
387982.0021 0.4091 -5.4033 3 236.0380315 89502 30352 944 51 844 a-Alanine, conf. I
388052.7437 1.8544 -4.8531 3 492.2012417 89502 303692842 682841 a-Alanine, conf. I
388072.8163 0.8554 -5.2040 3 602.6279429 89502 303714427 704426 a-Alanine, conf. I
388072.8163 0.8554 -5.2040 3 602.6279429 89502 303714428 704427 a-Alanine, conf. I
388093.3581 0.6205 -4.8441 3 546.5393489 89502 30381 774 80 773 a-Alanine, conf. I
388093.3581 0.6205 -4.2633 3 546.5393489 89502 30381 774 80 873 a-Alanine, conf. I
388093.3581 0.6205 -4.2633 3 546.5393489 89502 30381 874 80 773 a-Alanine, conf. I
388093.3581 0.6205 -4.8441 3 546.5393489 89502 30381 874 80 873 a-Alanine, conf. I
388100.8143 1.4634 -4.9950 3 187.8953267 89502 303441430 431331 a-Alanine, conf. I
388133.3470 0.7129 -5.2730 3 264.7989321 89502 303531340 521240 a-Alanine, conf. I
388133.6164 0.7128 -5.2730 3 264.7989321 89502 303531440 521340 a-Alanine, conf. I
388140.3741 0.2083 -5.1858 3 291.0075321 89502 303532331 522231 a-Alanine, conf. I
388229.0146 0.5836 -5.2087 3 154.3056249 89502 303411031 40 932 a-Alanine, conf. I
388232.8972 0.5831 -5.2087 3 154.3056249 89502 303411131 40 832 a-Alanine, conf. I
388267.7711 0.2241 -4.3544 3 291.0075321 89502 303532330 522231 a-Alanine, conf. I
388355.4754 1.1887 -5.2116 3 303.2161333 89502 303552036 541936 a-Alanine, conf. I
388368.9248 0.5739 -4.8221 3 488.7689423 89502 303702348 692347 a-Alanine, conf. I
388380.2801 0.8945 -5.1774 3 595.9680429 89502 303714328 704327 a-Alanine, conf. I
388380.2801 0.8945 -5.1774 3 595.9680429 89502 303714329 704328 a-Alanine, conf. I
388380.5393 1.8724 -5.2231 3 300.4273333 89502 303551837 541737 a-Alanine, conf. I
388388.7815 3.4055 -4.9038 3 228.9426291 89502 303481731 471632 a-Alanine, conf. I
388390.3181 0.1419 -5.1260 3 258.0108285 89502 303472918 462818 a-Alanine, conf. I
388390.3181 0.1419 -4.0781 3 258.0108285 89502 303472918 462819 a-Alanine, conf. I
388390.3181 0.1419 -4.0781 3 258.0108285 89502 303472919 462818 a-Alanine, conf. I
388390.3181 0.1419 -5.1260 3 258.0108285 89502 303472919 462819 a-Alanine, conf. I
388428.5904 2.0580 -4.8523 3 492.2141417 89502 303692841 682840 a-Alanine, conf. I
388439.5872 0.5977 -4.4281 3 518.5669447 89502 303741757 731856 a-Alanine, conf. I
388439.5874 0.5977 -4.8511 3 518.5669447 89502 303741857 731856 a-Alanine, conf. I
388439.5877 0.5977 -4.8511 3 518.5669447 89502 303741757 731756 a-Alanine, conf. I
388439.5879 0.5977 -4.4281 3 518.5669447 89502 303741857 731756 a-Alanine, conf. I
388488.2100 0.1330 -5.0551 3 242.8567243 89502 3034037 3 3936 3 a-Alanine, conf. I
388488.2100 0.1330 -3.9028 3 242.8567243 89502 3034037 3 3936 4 a-Alanine, conf. I
388488.2100 0.1330 -3.9028 3 242.8567243 89502 3034037 4 3936 3 a-Alanine, conf. I
388488.2100 0.1330 -5.0551 3 242.8567243 89502 3034037 4 3936 4 a-Alanine, conf. I
388579.5442 0.7733 -5.2051 3 305.8074333 89502 303552135 542035 a-Alanine, conf. I
388642.2393 0.5795 -4.8523 3 541.8063477 89502 303791069 781068 a-Alanine, conf. I
388642.2393 0.5795 -4.3051 3 541.8063477 89502 303791069 781168 a-Alanine, conf. I
388642.2393 0.5795 -4.3051 3 541.8063477 89502 303791169 781068 a-Alanine, conf. I
388642.2393 0.5795 -4.8523 3 541.8063477 89502 303791169 781168 a-Alanine, conf. I
388644.1844 0.9170 -4.8314 3 554.0643507 89502 30384 381 83 380 a-Alanine, conf. I
388644.1844 0.9170 -4.2153 3 554.0643507 89502 30384 381 83 480 a-Alanine, conf. I
388644.1844 0.9170 -4.2153 3 554.0643507 89502 30384 481 83 380 a-Alanine, conf. I
388644.1844 0.9170 -4.8314 3 554.0643507 89502 30384 481 83 480 a-Alanine, conf. I
388714.1010 0.9368 -5.1518 3 589.4787429 89502 303714229 704228 a-Alanine, conf. I
388714.1010 0.9368 -5.1518 3 589.4787429 89502 303714230 704229 a-Alanine, conf. I
388760.1192 0.5654 -4.8211 3 488.7410423 89502 303702248 692247 a-Alanine, conf. I
388777.2003 1.4815 -4.9306 3 521.5199423 89502 303703239 693238 a-Alanine, conf. I
388777.4216 1.4817 -4.9306 3 521.5199423 89502 303703238 693237 a-Alanine, conf. I
388794.4856 1.1304 -5.2339 3 284.5128327 89502 303541638 531538 a-Alanine, conf. I
388811.7353 0.5834 -4.5553 3 497.9359429 89502 303712150 702249 a-Alanine, conf. I
388836.5587 0.8150 -5.2124 3 319.2551339 89502 303562234 552134 a-Alanine, conf. I
388842.5589 0.5810 -4.8328 3 497.9359429 89502 303712250 702249 a-Alanine, conf. I
388856.0658 0.7048 -4.4555 3 298.1925327 89502 303542232 532133 a-Alanine, conf. I
388868.2109 0.1537 -5.1355 3 262.4527291 89502 303482820 472720 a-Alanine, conf. I
388868.2109 0.1537 -4.1095 3 262.4527291 89502 303482820 472721 a-Alanine, conf. I
388868.2109 0.1537 -4.1095 3 262.4527291 89502 303482821 472720 a-Alanine, conf. I
388868.2109 0.1537 -5.1355 3 262.4527291 89502 303482821 472721 a-Alanine, conf. I
388873.7152 0.5795 -4.8328 3 497.9338429 89502 303712150 702149 a-Alanine, conf. I
388895.5731 8.0877 -4.9410 3 525.1130435 89502 303722547 712646 a-Alanine, conf. I
388904.5388 0.5782 -4.5551 3 497.9338429 89502 303712250 702149 a-Alanine, conf. I
388908.0944 1.1007 -5.2337 3 284.5140327 89502 303541738 531638 a-Alanine, conf. I
389034.2980 0.1978 -4.2844 3 284.3618315 89502 303522429 512328 a-Alanine, conf. I
389040.5981 0.1984 -5.1752 3 284.3618315 89502 303522428 512328 a-Alanine, conf. I
389059.6517 0.2001 -5.1751 3 284.3610315 89502 303522429 512329 a-Alanine, conf. I
389065.9518 0.2008 -4.2844 3 284.3610315 89502 303522428 512329 a-Alanine, conf. I
389077.4888 0.9820 -5.1269 3 583.1616429 89502 303714130 704129 a-Alanine, conf. I
389077.4888 0.9820 -5.1269 3 583.1616429 89502 303714131 704130 a-Alanine, conf. I
389131.0095 0.4171 -5.4453 3 231.6688315 89502 30352 745 51 645 a-Alanine, conf. I
389131.0095 0.4171 -5.4453 3 231.6688315 89502 30352 845 51 745 a-Alanine, conf. I
389133.9305 0.5936 -4.8565 3 535.0740465 89502 303771364 761363 a-Alanine, conf. I
389133.9305 0.5936 -4.3519 3 535.0740465 89502 303771364 761463 a-Alanine, conf. I
389133.9305 0.5936 -4.3519 3 535.0740465 89502 303771464 761363 a-Alanine, conf. I
389133.9305 0.5936 -4.8565 3 535.0740465 89502 303771464 761463 a-Alanine, conf. I
389204.8952 0.6369 -4.6103 3 488.7410423 89502 303702348 692247 a-Alanine, conf. I
389209.5792 0.1156 -5.0635 3 244.5732249 89502 3034136 5 4035 5 a-Alanine, conf. I
389209.5792 0.1156 -3.9209 3 244.5732249 89502 3034136 5 4035 6 a-Alanine, conf. I
389209.5792 0.1156 -3.9209 3 244.5732249 89502 3034136 6 4035 5 a-Alanine, conf. I
389209.5792 0.1156 -5.0635 3 244.5732249 89502 3034136 6 4035 6 a-Alanine, conf. I
389240.0653 0.1662 -4.1444 3 267.2904297 89502 303492723 482622 a-Alanine, conf. I
389240.0654 0.1662 -5.1451 3 267.2904297 89502 303492722 482622 a-Alanine, conf. I
389240.0659 0.1662 -5.1451 3 267.2904297 89502 303492723 482623 a-Alanine, conf. I
389240.0661 0.1662 -4.1444 3 267.2904297 89502 303492722 482623 a-Alanine, conf. I
389273.4150 4.9706 -4.6939 3 389.2465375 89502 303622340 612239 a-Alanine, conf. I
389369.4686 0.6715 -4.8444 3 551.9738495 89502 30382 676 81 675 a-Alanine, conf. I
389369.4686 0.6715 -4.2536 3 551.9738495 89502 30382 676 81 775 a-Alanine, conf. I
389369.4686 0.6715 -4.2536 3 551.9738495 89502 30382 776 81 675 a-Alanine, conf. I
389369.4686 0.6715 -4.8444 3 551.9738495 89502 30382 776 81 775 a-Alanine, conf. I
389380.3183 3.2278 -4.8050 3 472.8192411 89502 303682642 672641 a-Alanine, conf. I
389383.0863 0.6974 -4.9758 3 200.8409273 89502 303451729 441430 a-Alanine, conf. I
389440.9723 0.1910 -4.2295 3 278.2193309 89502 303512527 502426 a-Alanine, conf. I
389441.2002 0.1910 -5.1649 3 278.2193309 89502 303512526 502426 a-Alanine, conf. I
389442.0024 0.1911 -5.1649 3 278.2193309 89502 303512527 502427 a-Alanine, conf. I
389442.2303 0.1911 -4.2295 3 278.2193309 89502 303512526 502427 a-Alanine, conf. I
389457.5295 0.1790 -4.1838 3 272.5391303 89502 303502625 492524 a-Alanine, conf. I
389457.5356 0.1790 -5.1549 3 272.5391303 89502 303502624 492524 a-Alanine, conf. I
389457.5603 0.1790 -5.1549 3 272.5391303 89502 303502625 492525 a-Alanine, conf. I
389457.5664 0.1790 -4.1838 3 272.5391303 89502 303502624 492525 a-Alanine, conf. I
389474.2398 1.0303 -5.1029 3 577.0185429 89502 303714031 704030 a-Alanine, conf. I
389474.2398 1.0303 -5.1029 3 577.0185429 89502 303714032 704031 a-Alanine, conf. I
389515.8020 1.6943 -4.6946 3 492.1740423 89502 303702347 692446 a-Alanine, conf. I
389599.0886 0.5920 -4.5143 3 506.7595435 89502 303722052 712151 a-Alanine, conf. I
389600.7576 0.5920 -4.8419 3 506.7595435 89502 303722152 712151 a-Alanine, conf. I
389602.6240 0.5919 -4.8419 3 506.7594435 89502 303722052 712051 a-Alanine, conf. I
389604.2930 0.5918 -4.5143 3 506.7594435 89502 303722152 712051 a-Alanine, conf. I
389647.0118 19.6147 -5.6142 3 757.1883519 89502 303863254 853353 a-Alanine, conf. I
389687.9667 0.6046 -4.8561 3 526.2799453 89502 303751659 741658 a-Alanine, conf. I
389687.9667 0.6046 -4.4079 3 526.2799453 89502 303751659 741758 a-Alanine, conf. I
389687.9667 0.6046 -4.4079 3 526.2799453 89502 303751759 741658 a-Alanine, conf. I
389687.9667 0.6046 -4.8561 3 526.2799453 89502 303751759 741758 a-Alanine, conf. I
389756.3151 1.8733 -4.8359 3 488.6953417 89502 303692743 682742 a-Alanine, conf. I
389766.6703 0.3958 -5.3800 3 141.3044243 89502 30340 832 39 733 a-Alanine, conf. I
389766.7139 0.3958 -5.3800 3 141.3044243 89502 30340 932 39 633 a-Alanine, conf. I
389834.3548 1.5877 -4.9119 3 517.0708423 89502 303703140 693139 a-Alanine, conf. I
389836.4088 1.5891 -4.9119 3 517.0708423 89502 303703139 693138 a-Alanine, conf. I
389841.6252 1.0525 -4.8302 3 558.6230513 89502 30385 283 84 282 a-Alanine, conf. I
389841.6252 1.0525 -4.2066 3 558.6230513 89502 30385 283 84 382 a-Alanine, conf. I
389841.6252 1.0525 -4.2066 3 558.6230513 89502 30385 383 84 282 a-Alanine, conf. I
389841.6252 1.0525 -4.8302 3 558.6230513 89502 30385 383 84 382 a-Alanine, conf. I
389908.8907 1.0818 -5.0796 3 571.0516429 89502 303713932 703931 a-Alanine, conf. I
389908.8907 1.0818 -5.0796 3 571.0516429 89502 303713933 703932 a-Alanine, conf. I
389909.2902 2.8795 -5.2234 3 326.3883345 89502 303572037 561937 a-Alanine, conf. I
389910.7279 2.5230 -5.2239 3 313.3823339 89502 303561937 551837 a-Alanine, conf. I
389920.3999 18.3056 -5.6815 3 793.7874531 89502 303883355 873454 a-Alanine, conf. I
389922.2575 0.1071 -5.0721 3 246.6411255 89502 3034235 7 4134 7 a-Alanine, conf. I
389922.2575 0.1071 -3.9401 3 246.6411255 89502 3034235 7 4134 8 a-Alanine, conf. I
389922.2575 0.1071 -3.9401 3 246.6411255 89502 3034235 8 4134 7 a-Alanine, conf. I
389922.2575 0.1071 -5.0721 3 246.6411255 89502 3034235 8 4134 8 a-Alanine, conf. I
389946.0209 0.6212 -5.2916 3 261.0803321 89502 303531241 521141 a-Alanine, conf. I
389946.0414 0.6212 -5.2916 3 261.0803321 89502 303531341 521241 a-Alanine, conf. I
389957.5229 0.5897 -4.8538 3 547.9071483 89502 30380 971 79 970 a-Alanine, conf. I
389957.5229 0.5897 -4.2941 3 547.9071483 89502 30380 971 791070 a-Alanine, conf. I
389957.5229 0.5897 -4.2941 3 547.9071483 89502 303801071 79 970 a-Alanine, conf. I
389957.5229 0.5897 -4.8538 3 547.9071483 89502 303801071 791070 a-Alanine, conf. I
390037.0719 0.3260 -5.6187 3 128.2941237 89502 30339 633 38 534 a-Alanine, conf. I
390037.0722 0.3260 -5.6187 3 128.2941237 89502 30339 733 38 434 a-Alanine, conf. I
390198.7018 0.4484 -5.4962 3 227.1600315 89502 30352 646 51 546 a-Alanine, conf. I
390198.7018 0.4484 -5.4962 3 227.1600315 89502 30352 746 51 646 a-Alanine, conf. I
390236.9676 1.0776 -4.8130 3 482.3496417 89502 303692545 682544 a-Alanine, conf. I
390325.4631 1.3760 -4.7585 3 455.2470405 89502 303672443 662442 a-Alanine, conf. I
390386.9284 1.1368 -5.0571 3 565.2631429 89502 303713833 703832 a-Alanine, conf. I
390386.9284 1.1368 -5.0571 3 565.2631429 89502 303713834 703833 a-Alanine, conf. I
390426.4434 20.3295 -5.5413 3 721.4551507 89502 303843153 833252 a-Alanine, conf. I
390461.3548 0.5941 -4.8593 3 541.8513471 89502 303781266 771265 a-Alanine, conf. I
390461.3548 0.5941 -4.3385 3 541.8513471 89502 303781266 771365 a-Alanine, conf. I
390461.3548 0.5941 -4.3385 3 541.8513471 89502 303781366 771265 a-Alanine, conf. I
390461.3548 0.5941 -4.8593 3 541.8513471 89502 303781366 771365 a-Alanine, conf. I
390579.1164 0.6018 -4.4824 3 515.2809441 89502 303731954 722053 a-Alanine, conf. I
390579.1896 0.6018 -4.8496 3 515.2809441 89502 303732054 722053 a-Alanine, conf. I
390579.2783 0.6018 -4.8496 3 515.2808441 89502 303731954 721953 a-Alanine, conf. I
390579.3515 0.6018 -4.4823 3 515.2808441 89502 303732054 721953 a-Alanine, conf. I
390583.6059 1.1540 -4.9917 3 187.8924267 89502 303441530 431231 a-Alanine, conf. I
390622.8224 0.1064 -5.0809 3 249.0629261 89502 3034334 9 4233 9 a-Alanine, conf. I
390622.8224 0.1064 -3.9606 3 249.0629261 89502 3034334 9 423310 a-Alanine, conf. I
390622.8224 0.1064 -3.9606 3 249.0629261 89502 303433410 4233 9 a-Alanine, conf. I
390622.8224 0.1064 -5.0809 3 249.0629261 89502 303433410 423310 a-Alanine, conf. I
390626.6360 0.7433 -4.8444 3 557.2005501 89502 30383 578 82 577 a-Alanine, conf. I
390626.6360 0.7433 -4.2444 3 557.2005501 89502 30383 578 82 677 a-Alanine, conf. I
390626.6360 0.7433 -4.2444 3 557.2005501 89502 30383 678 82 577 a-Alanine, conf. I
390626.6360 0.7433 -4.8444 3 557.2005501 89502 30383 678 82 677 a-Alanine, conf. I
390703.7866 1.3447 -5.2186 3 300.4630333 89502 303551937 541837 a-Alanine, conf. I
390823.3593 1.6006 -4.8215 3 485.4432417 89502 303692644 682643 a-Alanine, conf. I
390840.6408 0.8009 -5.7411 3 735.2090435 89502 303725913 715912 a-Alanine, conf. I
390840.6408 0.8009 -5.7411 3 735.2090435 89502 303725914 715913 a-Alanine, conf. I
390892.4615 0.8231 -4.8019 3 478.9808417 89502 303692346 682345 a-Alanine, conf. I
390915.0823 1.1958 -5.0353 3 559.6559429 89502 303713734 703733 a-Alanine, conf. I
390915.0823 1.1958 -5.0353 3 559.6559429 89502 303713735 703734 a-Alanine, conf. I
390952.2798 0.7723 -5.6930 3 726.0964435 89502 303725814 715813 a-Alanine, conf. I
390952.2798 0.7723 -5.6930 3 726.0964435 89502 303725815 715814 a-Alanine, conf. I
390974.6267 0.6096 -4.8605 3 533.7608459 89502 303761561 751560 a-Alanine, conf. I
390974.6267 0.6096 -4.3903 3 533.7608459 89502 303761561 751660 a-Alanine, conf. I
390974.6267 0.6096 -4.3903 3 533.7608459 89502 303761661 751560 a-Alanine, conf. I
390974.6267 0.6096 -4.8605 3 533.7608459 89502 303761661 751660 a-Alanine, conf. I
391013.1398 0.7052 -5.2154 3 330.0877345 89502 303572235 562135 a-Alanine, conf. I
391014.4561 1.2099 -4.8288 3 562.9708519 89502 30386 185 85 184 a-Alanine, conf. I
391014.4561 1.2099 -4.1982 3 562.9708519 89502 30386 185 85 284 a-Alanine, conf. I
391014.4561 1.2099 -4.1982 3 562.9708519 89502 30386 285 85 184 a-Alanine, conf. I
391014.4561 1.2099 -4.8288 3 562.9708519 89502 30386 285 85 284 a-Alanine, conf. I
391071.4225 0.7485 -5.6475 3 717.1442435 89502 303725715 715714 a-Alanine, conf. I
391071.4225 0.7485 -5.6475 3 717.1442435 89502 303725716 715715 a-Alanine, conf. I
391085.9248 1.7147 -4.8935 3 512.8472423 89502 303703041 693040 a-Alanine, conf. I
391102.7024 1.7258 -4.8935 3 512.8477423 89502 303703040 693039 a-Alanine, conf. I
391195.7965 0.4984 -5.5593 3 222.5141315 89502 30352 547 51 447 a-Alanine, conf. I
391195.7965 0.4984 -5.5593 3 222.5141315 89502 30352 647 51 547 a-Alanine, conf. I
391198.6131 0.7301 -5.6042 3 708.3527435 89502 303725616 715615 a-Alanine, conf. I
391198.6131 0.7301 -5.6042 3 708.3527435 89502 303725617 715616 a-Alanine, conf. I
391260.5316 0.6103 -4.8549 3 553.7999489 89502 30381 873 80 872 a-Alanine, conf. I
391260.5316 0.6103 -4.2838 3 553.7999489 89502 30381 873 80 972 a-Alanine, conf. I
391260.5316 0.6103 -4.2838 3 553.7999489 89502 30381 973 80 872 a-Alanine, conf. I
391260.5316 0.6103 -4.8549 3 553.7999489 89502 30381 973 80 972 a-Alanine, conf. I
391306.6602 0.1113 -5.0898 3 251.8419267 89502 303443311 433211 a-Alanine, conf. I
391306.6602 0.1113 -3.9823 3 251.8419267 89502 303443311 433212 a-Alanine, conf. I
391306.6602 0.1113 -3.9823 3 251.8419267 89502 303443312 433211 a-Alanine, conf. I
391306.6602 0.1113 -5.0898 3 251.8419267 89502 303443312 433212 a-Alanine, conf. I
391334.4509 0.7172 -5.5630 3 699.7223435 89502 303725517 715516 a-Alanine, conf. I
391334.4509 0.7172 -5.5630 3 699.7223435 89502 303725518 715517 a-Alanine, conf. I
391341.2540 16.8209 -5.7460 3 831.2531543 89502 303903456 893555 a-Alanine, conf. I
391355.0811 2.1837 -5.2181 3 339.3943351 89502 303582137 572037 a-Alanine, conf. I
391479.5977 0.7099 -5.5237 3 691.2534435 89502 303725418 715417 a-Alanine, conf. I
391479.5977 0.7099 -5.5237 3 691.2534435 89502 303725419 715418 a-Alanine, conf. I
391501.7443 1.2596 -5.0141 3 554.2335429 89502 303713635 703634 a-Alanine, conf. I
391501.7443 1.2596 -5.0141 3 554.2335429 89502 303713636 703635 a-Alanine, conf. I
391551.5345 2.3903 -4.5819 3 295.6189327 89502 303542133 532034 a-Alanine, conf. I
391566.6545 0.5446 -5.3134 3 257.2000321 89502 303531142 521042 a-Alanine, conf. I
391566.6559 0.5446 -5.3134 3 257.2000321 89502 303531242 521142 a-Alanine, conf. I
391569.3321 0.9644 -5.2449 3 281.2257327 89502 303541539 531439 a-Alanine, conf. I
391582.9720 0.9607 -5.2449 3 281.2258327 89502 303541639 531539 a-Alanine, conf. I
391634.7865 0.7084 -5.4860 3 682.9464435 89502 303725319 715318 a-Alanine, conf. I
391634.7865 0.7084 -5.4860 3 682.9464435 89502 303725320 715319 a-Alanine, conf. I
391661.7500 2.7457 -4.8315 3 488.7733417 89502 303692742 682741 a-Alanine, conf. I
391694.8061 0.6110 -4.4562 3 523.5292447 89502 303741856 731955 a-Alanine, conf. I
391694.8087 0.6110 -4.8562 3 523.5292447 89502 303741956 731955 a-Alanine, conf. I
391694.8122 0.6110 -4.8562 3 523.5292447 89502 303741856 731855 a-Alanine, conf. I
391694.8148 0.6110 -4.4562 3 523.5292447 89502 303741956 731855 a-Alanine, conf. I
391788.0539 0.5954 -4.8617 3 548.4159477 89502 303791168 781167 a-Alanine, conf. I
391788.0539 0.5954 -4.3263 3 548.4159477 89502 303791168 781267 a-Alanine, conf. I
391788.0539 0.5954 -4.3263 3 548.4159477 89502 303791268 781167 a-Alanine, conf. I
391788.0539 0.5954 -4.8617 3 548.4159477 89502 303791268 781267 a-Alanine, conf. I
391800.8311 0.7125 -5.4499 3 674.8019435 89502 303725220 715219 a-Alanine, conf. I
391800.8311 0.7125 -5.4499 3 674.8019435 89502 303725221 715220 a-Alanine, conf. I
391863.0846 0.8373 -4.8440 3 562.2189507 89502 30384 480 83 479 a-Alanine, conf. I
391863.0846 0.8373 -4.2356 3 562.2189507 89502 30384 480 83 579 a-Alanine, conf. I
391863.0846 0.8373 -4.2356 3 562.2189507 89502 30384 580 83 479 a-Alanine, conf. I
391863.0846 0.8373 -4.8440 3 562.2189507 89502 30384 580 83 579 a-Alanine, conf. I
391906.5794 20.1165 -5.4597 3 686.5864495 89502 303823052 813151 a-Alanine, conf. I
391967.5226 0.1196 -5.0989 3 254.9821273 89502 303453213 443113 a-Alanine, conf. I
391967.5226 0.1196 -4.0056 3 254.9821273 89502 303453213 443114 a-Alanine, conf. I
391967.5226 0.1196 -4.0056 3 254.9821273 89502 303453214 443113 a-Alanine, conf. I
391967.5226 0.1196 -5.0989 3 254.9821273 89502 303453214 443114 a-Alanine, conf. I
391970.6352 0.2590 -4.3810 3 300.9827327 89502 303542332 532231 a-Alanine, conf. I
391978.6383 0.7221 -5.4152 3 666.8204435 89502 303725121 715120 a-Alanine, conf. I
391978.6383 0.7221 -5.4152 3 666.8204435 89502 303725122 715121 a-Alanine, conf. I
392070.4859 0.3821 -5.1988 3 308.3830333 89502 303552234 542134 a-Alanine, conf. I
392131.0383 0.5620 -5.6400 3 217.7330315 89502 30352 448 51 348 a-Alanine, conf. I
392131.0383 0.5620 -5.6400 3 217.7330315 89502 30352 548 51 448 a-Alanine, conf. I
392157.5894 1.3291 -4.9936 3 548.9998429 89502 303713537 703536 a-Alanine, conf. I
392157.5898 1.3291 -4.9936 3 548.9998429 89502 303713536 703535 a-Alanine, conf. I
392161.5172 1.3887 -4.8271 3 567.1061525 89502 30387 087 86 086 a-Alanine, conf. I
392161.5172 1.3887 -4.1899 3 567.1061525 89502 30387 087 86 186 a-Alanine, conf. I
392161.5172 1.3887 -4.1899 3 567.1061525 89502 30387 187 86 086 a-Alanine, conf. I
392161.5172 1.3887 -4.8271 3 567.1061525 89502 30387 187 86 186 a-Alanine, conf. I
392169.2216 0.7370 -5.3818 3 659.0025435 89502 303725022 715021 a-Alanine, conf. I
392169.2216 0.7370 -5.3818 3 659.0025435 89502 303725023 715022 a-Alanine, conf. I
392169.8474 0.6403 -4.8213 3 492.1740423 89502 303702447 692446 a-Alanine, conf. I
392226.9249 0.4747 -5.6809 3 143.2886231 89502 303381622 371325 a-Alanine, conf. I
392243.1232 0.2193 -5.1898 3 300.9827327 89502 303542331 532231 a-Alanine, conf. I
392284.3160 0.6125 -4.8644 3 541.0171465 89502 303771463 761462 a-Alanine, conf. I
392284.3160 0.6125 -4.3747 3 541.0171465 89502 303771463 761562 a-Alanine, conf. I
392284.3160 0.6125 -4.3747 3 541.0171465 89502 303771563 761462 a-Alanine, conf. I
392284.3160 0.6125 -4.8644 3 541.0171465 89502 303771563 761562 a-Alanine, conf. I
392326.5055 0.7204 -5.1414 3 164.3947255 89502 303421131 411032 a-Alanine, conf. I
392346.1345 0.7178 -5.1413 3 164.3946255 89502 303421231 41 932 a-Alanine, conf. I
392373.7182 0.7567 -5.3497 3 651.3489435 89502 303724923 714922 a-Alanine, conf. I
392373.7182 0.7567 -5.3497 3 651.3489435 89502 303724924 714923 a-Alanine, conf. I
392409.3375 0.6294 -4.6058 3 501.7234429 89502 303712249 702348 a-Alanine, conf. I
392432.4887 4.0339 -4.7943 3 508.5492429 89502 303712447 702546 a-Alanine, conf. I
392447.4636 0.1819 -5.0394 3 247.3547237 89502 3033939 0 3838 0 a-Alanine, conf. I
392447.4636 0.1819 -3.8740 3 247.3547237 89502 3033939 0 3838 1 a-Alanine, conf. I
392447.4636 0.1819 -3.8740 3 247.3547237 89502 3033939 1 3838 0 a-Alanine, conf. I
392447.4636 0.1819 -5.0394 3 247.3547237 89502 3033939 1 3838 1 a-Alanine, conf. I
392548.4951 0.6456 -4.8557 3 559.4847495 89502 30382 775 81 774 a-Alanine, conf. I
392548.4951 0.6456 -4.2740 3 559.4847495 89502 30382 775 81 874 a-Alanine, conf. I
392548.4951 0.6456 -4.2740 3 559.4847495 89502 30382 875 81 774 a-Alanine, conf. I
392548.4951 0.6456 -4.8557 3 559.4847495 89502 30382 875 81 874 a-Alanine, conf. I
392582.2798 1.8601 -4.8754 3 508.8655423 89502 303702942 692941 a-Alanine, conf. I
392593.4090 0.7809 -5.3187 3 643.8602435 89502 303724824 714823 a-Alanine, conf. I
392593.4090 0.7809 -5.3187 3 643.8602435 89502 303724825 714824 a-Alanine, conf. I
392596.8773 0.1296 -5.1082 3 258.4880279 89502 303463115 453015 a-Alanine, conf. I
392596.8773 0.1296 -4.0306 3 258.4880279 89502 303463115 453016 a-Alanine, conf. I
392596.8773 0.1296 -4.0306 3 258.4880279 89502 303463116 453015 a-Alanine, conf. I
392596.8773 0.1296 -5.1082 3 258.4880279 89502 303463116 453016 a-Alanine, conf. I
392641.7679 0.5926 -4.8333 3 501.7234429 89502 303712349 702348 a-Alanine, conf. I
392694.1281 10.9858 -5.0458 3 555.7037447 89502 303742648 732747 a-Alanine, conf. I
392700.6750 1.9317 -4.8751 3 508.8693423 89502 303702941 692940 a-Alanine, conf. I
392829.7430 0.8093 -5.2889 3 636.5372435 89502 303724725 714724 a-Alanine, conf. I
392829.7430 0.8093 -5.2889 3 636.5372435 89502 303724726 714725 a-Alanine, conf. I
392854.1135 0.5848 -4.8327 3 501.7086429 89502 303712249 702248 a-Alanine, conf. I
392879.4626 0.2226 -5.1885 3 300.9524327 89502 303542332 532232 a-Alanine, conf. I
392896.5322 1.4059 -4.9736 3 543.9600429 89502 303713438 703437 a-Alanine, conf. I
392896.5368 1.4059 -4.9736 3 543.9600429 89502 303713437 703436 a-Alanine, conf. I
392896.5689 0.6192 -4.4341 3 531.5239453 89502 303751758 741857 a-Alanine, conf. I
392896.5690 0.6192 -4.8620 3 531.5239453 89502 303751858 741857 a-Alanine, conf. I
392896.5691 0.6192 -4.8620 3 531.5239453 89502 303751758 741757 a-Alanine, conf. I
392896.5691 0.6192 -4.4341 3 531.5239453 89502 303751858 741757 a-Alanine, conf. I
393011.6704 0.6352 -5.7486 3 212.8187315 89502 30352 349 51 249 a-Alanine, conf. I
393011.6704 0.6352 -5.7486 3 212.8187315 89502 30352 449 51 349 a-Alanine, conf. I
393033.1612 0.4853 -5.3389 3 253.1648321 89502 303531043 52 943 a-Alanine, conf. I
393033.1613 0.4853 -5.3389 3 253.1648321 89502 303531143 521043 a-Alanine, conf. I
393077.2526 0.9541 -4.8434 3 567.0280513 89502 30385 382 84 381 a-Alanine, conf. I
393077.2526 0.9541 -4.2270 3 567.0280513 89502 30385 382 84 481 a-Alanine, conf. I
393077.2526 0.9541 -4.2270 3 567.0280513 89502 30385 482 84 381 a-Alanine, conf. I
393077.2526 0.9541 -4.8434 3 567.0280513 89502 30385 482 84 481 a-Alanine, conf. I
393084.3676 0.8415 -5.2600 3 629.3810435 89502 303724626 714625 a-Alanine, conf. I
393084.3676 0.8415 -5.2600 3 629.3810435 89502 303724627 714626 a-Alanine, conf. I
393086.5439 0.6012 -4.6042 3 501.7086429 89502 303712349 702248 a-Alanine, conf. I
393109.0389 0.6000 -4.8638 3 554.7700483 89502 303801070 791069 a-Alanine, conf. I
393109.0389 0.6000 -4.3150 3 554.7700483 89502 303801070 791169 a-Alanine, conf. I
393109.0389 0.6000 -4.3150 3 554.7700483 89502 303801170 791069 a-Alanine, conf. I
393109.0389 0.6000 -4.8638 3 554.7700483 89502 303801170 791169 a-Alanine, conf. I
393151.9506 0.2647 -4.3789 3 300.9524327 89502 303542331 532232 a-Alanine, conf. I
393158.0370 0.6040 -4.5540 3 510.9063435 89502 303722151 712250 a-Alanine, conf. I
393173.1757 0.6030 -4.8440 3 510.9063435 89502 303722251 712250 a-Alanine, conf. I
393176.9555 0.1512 -5.0475 3 248.5606243 89502 3034038 2 3937 2 a-Alanine, conf. I
393176.9555 0.1512 -3.8905 3 248.5606243 89502 3034038 2 3937 3 a-Alanine, conf. I
393176.9555 0.1512 -3.8905 3 248.5606243 89502 3034038 3 3937 2 a-Alanine, conf. I
393176.9555 0.1512 -5.0475 3 248.5606243 89502 3034038 3 3937 3 a-Alanine, conf. I
393182.9309 0.1406 -5.1176 3 262.3658285 89502 303473017 462917 a-Alanine, conf. I
393182.9309 0.1406 -4.0576 3 262.3658285 89502 303473017 462918 a-Alanine, conf. I
393182.9309 0.1406 -4.0576 3 262.3658285 89502 303473018 462917 a-Alanine, conf. I
393182.9309 0.1406 -5.1176 3 262.3658285 89502 303473018 462918 a-Alanine, conf. I
393188.8605 0.6022 -4.8439 3 510.9053435 89502 303722151 712150 a-Alanine, conf. I
393203.9993 0.6015 -4.5539 3 510.9053435 89502 303722251 712150 a-Alanine, conf. I
393359.1653 0.8772 -5.2322 3 622.3924435 89502 303724527 714526 a-Alanine, conf. I
393359.1653 0.8772 -5.2322 3 622.3924435 89502 303724528 714527 a-Alanine, conf. I
393479.9940 1.3757 -5.2271 3 297.4816333 89502 303551738 541638 a-Alanine, conf. I
393519.0151 18.8736 -5.3675 3 652.5801483 89502 303802951 793050 a-Alanine, conf. I
393570.3327 1.2060 -4.9621 3 198.4766273 89502 303451630 441331 a-Alanine, conf. I
393606.1986 0.6137 -4.8678 3 548.0541471 89502 303781365 771364 a-Alanine, conf. I
393606.1986 0.6137 -4.3607 3 548.0541471 89502 303781365 771464 a-Alanine, conf. I
393606.1986 0.6137 -4.3607 3 548.0541471 89502 303781465 771364 a-Alanine, conf. I
393606.1986 0.6137 -4.8678 3 548.0541471 89502 303781465 771464 a-Alanine, conf. I
393656.3001 0.9162 -5.2053 3 615.5726435 89502 303724428 714427 a-Alanine, conf. I
393656.3001 0.9162 -5.2053 3 615.5726435 89502 303724429 714428 a-Alanine, conf. I
393709.0988 0.1523 -5.1272 3 266.6226291 89502 303482919 472819 a-Alanine, conf. I
393709.0988 0.1523 -4.0870 3 266.6226291 89502 303482919 472820 a-Alanine, conf. I
393709.0988 0.1523 -4.0870 3 266.6226291 89502 303482920 472819 a-Alanine, conf. I
393709.0988 0.1523 -5.1272 3 266.6226291 89502 303482920 472820 a-Alanine, conf. I
393737.2574 1.4924 -4.9542 3 539.1201429 89502 303713339 703338 a-Alanine, conf. I
393737.3088 1.4924 -4.9542 3 539.1201429 89502 303713338 703337 a-Alanine, conf. I
393780.1418 0.3013 -5.2166 3 341.1617351 89502 303582236 572136 a-Alanine, conf. I
393819.0822 0.6993 -4.8562 3 564.9617501 89502 30383 677 82 676 a-Alanine, conf. I
393819.0822 0.6993 -4.2648 3 564.9617501 89502 30383 677 82 776 a-Alanine, conf. I
393819.0822 0.6993 -4.2648 3 564.9617501 89502 30383 777 82 676 a-Alanine, conf. I
393819.0822 0.6993 -4.8562 3 564.9617501 89502 30383 777 82 776 a-Alanine, conf. I
393874.3798 0.8373 -5.2584 3 277.7457327 89502 303541440 531340 a-Alanine, conf. I
393875.7507 0.8369 -5.2584 3 277.7457327 89502 303541540 531440 a-Alanine, conf. I
393889.2736 1.2687 -5.2262 3 297.4866333 89502 303551838 541738 a-Alanine, conf. I
393901.3284 0.1287 -5.0558 3 250.1144249 89502 3034137 4 4036 4 a-Alanine, conf. I
393901.3284 0.1287 -3.9080 3 250.1144249 89502 3034137 4 4036 5 a-Alanine, conf. I
393901.3284 0.1287 -3.9080 3 250.1144249 89502 3034137 5 4036 4 a-Alanine, conf. I
393901.3284 0.1287 -5.0558 3 250.1144249 89502 3034137 5 4036 5 a-Alanine, conf. I
393910.5510 0.2053 -4.3030 3 294.0581321 89502 303532430 522329 a-Alanine, conf. I
393925.4447 0.2066 -5.1776 3 294.0581321 89502 303532429 522329 a-Alanine, conf. I
393954.6149 4.6438 -4.6702 3 377.3798369 89502 303612339 602238 a-Alanine, conf. I
393968.2725 0.2102 -5.1775 3 294.0562321 89502 303532430 522330 a-Alanine, conf. I
393978.2760 0.9584 -5.1792 3 608.9229435 89502 303724329 714328 a-Alanine, conf. I
393978.2760 0.9584 -5.1792 3 608.9229435 89502 303724330 714329 a-Alanine, conf. I
393983.1663 0.2118 -4.3028 3 294.0562321 89502 303532429 522330 a-Alanine, conf. I
393988.9243 0.6140 -4.5162 3 519.7552441 89502 303732053 722152 a-Alanine, conf. I
393989.7046 0.6139 -4.8530 3 519.7552441 89502 303732153 722152 a-Alanine, conf. I
393990.5933 0.6139 -4.8530 3 519.7552441 89502 303732053 722052 a-Alanine, conf. I
393991.3736 0.6139 -4.5162 3 519.7552441 89502 303732153 722052 a-Alanine, conf. I
394116.9487 3.7453 -4.7019 3 283.1266321 89502 303532033 521934 a-Alanine, conf. I
394144.9715 0.7267 -4.8161 3 492.0196423 89502 303702347 692346 a-Alanine, conf. I
394151.4990 0.1646 -5.1369 3 271.2678297 89502 303492821 482721 a-Alanine, conf. I
394151.4990 0.1646 -4.1195 3 271.2678297 89502 303492821 482722 a-Alanine, conf. I
394151.4990 0.1646 -4.1195 3 271.2678297 89502 303492822 482721 a-Alanine, conf. I
394151.4990 0.1646 -5.1369 3 271.2678297 89502 303492822 482722 a-Alanine, conf. I
394153.1686 0.6259 -4.8672 3 539.2784459 89502 303761660 751659 a-Alanine, conf. I
394153.1686 0.6259 -4.4150 3 539.2784459 89502 303761660 751759 a-Alanine, conf. I
394153.1686 0.6259 -4.4150 3 539.2784459 89502 303761760 751659 a-Alanine, conf. I
394153.1686 0.6259 -4.8672 3 539.2784459 89502 303761760 751759 a-Alanine, conf. I
394267.7480 1.0935 -4.8425 3 571.6267519 89502 30386 284 85 283 a-Alanine, conf. I
394267.7480 1.0935 -4.2187 3 571.6267519 89502 30386 284 85 383 a-Alanine, conf. I
394267.7480 1.0935 -4.2187 3 571.6267519 89502 30386 384 85 283 a-Alanine, conf. I
394267.7480 1.0935 -4.8425 3 571.6267519 89502 30386 384 85 383 a-Alanine, conf. I
394302.9935 1.9749 -4.8576 3 505.1453423 89502 303702843 692842 a-Alanine, conf. I
394328.0119 1.0036 -5.1540 3 602.4448435 89502 303724230 714229 a-Alanine, conf. I
394328.0119 1.0036 -5.1540 3 602.4448435 89502 303724231 714230 a-Alanine, conf. I
394372.7934 0.4469 -5.3687 3 248.9797321 89502 30353 944 52 844 a-Alanine, conf. I
394372.7934 0.4469 -5.3687 3 248.9797321 89502 303531044 52 944 a-Alanine, conf. I
394420.3421 0.6115 -4.8655 3 560.9147489 89502 30381 972 80 971 a-Alanine, conf. I
394420.3421 0.6115 -4.3045 3 560.9147489 89502 30381 972 801071 a-Alanine, conf. I
394420.3421 0.6115 -4.3045 3 560.9147489 89502 303811072 80 971 a-Alanine, conf. I
394420.3421 0.6115 -4.8655 3 560.9147489 89502 303811072 801071 a-Alanine, conf. I
394474.5936 0.1776 -4.1556 3 276.3137303 89502 303502724 492623 a-Alanine, conf. I
394474.5940 0.1776 -5.1467 3 276.3137303 89502 303502723 492623 a-Alanine, conf. I
394474.5957 0.1776 -5.1467 3 276.3137303 89502 303502724 492624 a-Alanine, conf. I
394474.5961 0.1776 -4.1556 3 276.3137303 89502 303502723 492624 a-Alanine, conf. I
394491.7932 13.9889 -5.1559 3 587.1425459 89502 303762749 752848 a-Alanine, conf. I
394502.7440 0.2020 -4.2446 3 287.6797315 89502 303522528 512427 a-Alanine, conf. I
394503.3356 0.2021 -5.1669 3 287.6797315 89502 303522527 512427 a-Alanine, conf. I
394505.3305 0.2023 -5.1669 3 287.6796315 89502 303522528 512428 a-Alanine, conf. I
394505.9221 0.2024 -4.2446 3 287.6796315 89502 303522527 512428 a-Alanine, conf. I
394595.1016 16.7360 -5.2651 3 619.4334471 89502 303782850 772949 a-Alanine, conf. I
394618.4623 0.1152 -5.0643 3 252.0182255 89502 3034236 6 4135 6 a-Alanine, conf. I
394618.4623 0.1152 -3.9265 3 252.0182255 89502 3034236 6 4135 7 a-Alanine, conf. I
394618.4623 0.1152 -3.9265 3 252.0182255 89502 3034236 7 4135 6 a-Alanine, conf. I
394618.4623 0.1152 -5.0643 3 252.0182255 89502 3034236 7 4135 7 a-Alanine, conf. I
394622.9511 0.1907 -4.1967 3 281.7767309 89502 303512626 502525 a-Alanine, conf. I
394622.9687 0.1907 -5.1567 3 281.7767309 89502 303512625 502525 a-Alanine, conf. I
394623.0363 0.1907 -5.1567 3 281.7767309 89502 303512626 502526 a-Alanine, conf. I
394623.0538 0.1907 -4.1967 3 281.7767309 89502 303512625 502526 a-Alanine, conf. I
394627.4253 0.4875 -5.2888 3 151.2313249 89502 30341 932 40 833 a-Alanine, conf. I
394627.7117 0.4874 -5.2888 3 151.2313249 89502 303411032 40 733 a-Alanine, conf. I
394705.7312 1.5920 -4.9353 3 534.4881429 89502 303713240 703239 a-Alanine, conf. I
394706.2418 1.5924 -4.9353 3 534.4881429 89502 303713239 703238 a-Alanine, conf. I
394708.9383 1.0518 -5.1296 3 596.1398435 89502 303724131 714130 a-Alanine, conf. I
394708.9383 1.0518 -5.1296 3 596.1398435 89502 303724132 714131 a-Alanine, conf. I
394932.2859 0.6142 -4.8708 3 554.8757477 89502 303791267 781266 a-Alanine, conf. I
394932.2859 0.6142 -4.3479 3 554.8757477 89502 303791267 781366 a-Alanine, conf. I
394932.2859 0.6142 -4.3479 3 554.8757477 89502 303791367 781266 a-Alanine, conf. I
394932.2859 0.6142 -4.8708 3 554.8757477 89502 303791367 781366 a-Alanine, conf. I
394939.0820 0.9946 -5.2079 3 316.1702339 89502 303562136 552036 a-Alanine, conf. I
395000.8155 2.3502 -4.8561 3 505.1707423 89502 303702842 692841 a-Alanine, conf. I
395003.6395 0.6238 -4.4863 3 528.3092447 89502 303741955 732054 a-Alanine, conf. I
395003.6723 0.6238 -4.8607 3 528.3092447 89502 303742055 732054 a-Alanine, conf. I
395003.7127 0.6238 -4.8607 3 528.3092447 89502 303741955 731954 a-Alanine, conf. I
395003.7455 0.6238 -4.4863 3 528.3092447 89502 303742055 731954 a-Alanine, conf. I
395009.0369 0.6988 -4.7698 3 468.2668411 89502 303682444 672443 a-Alanine, conf. I
395039.5109 1.1670 -4.6748 3 505.2554429 89502 303712348 702447 a-Alanine, conf. I
395070.2971 0.7742 -4.8565 3 570.2304507 89502 30384 579 83 578 a-Alanine, conf. I
395070.2971 0.7742 -4.2559 3 570.2304507 89502 30384 579 83 678 a-Alanine, conf. I
395070.2971 0.7742 -4.2559 3 570.2304507 89502 30384 679 83 578 a-Alanine, conf. I
395070.2971 0.7742 -4.8565 3 570.2304507 89502 30384 679 83 678 a-Alanine, conf. I
395125.1262 1.1032 -5.1060 3 590.0100435 89502 303724032 714031 a-Alanine, conf. I
395125.1262 1.1032 -5.1060 3 590.0100435 89502 303724033 714032 a-Alanine, conf. I
395206.6339 0.9448 -4.8222 3 495.3665423 89502 303702546 692545 a-Alanine, conf. I
395221.8400 2.8586 -4.7763 3 470.2990411 89502 303682543 672542 a-Alanine, conf. I
395325.5133 0.1103 -5.0730 3 254.2745261 89502 3034335 8 4234 8 a-Alanine, conf. I
395325.5133 0.1103 -3.9461 3 254.2745261 89502 3034335 8 4234 9 a-Alanine, conf. I
395325.5133 0.1103 -3.9461 3 254.2745261 89502 3034335 9 4234 8 a-Alanine, conf. I
395325.5133 0.1103 -5.0730 3 254.2745261 89502 3034335 9 4234 9 a-Alanine, conf. I
395413.0623 0.3537 -5.4894 3 138.0417243 89502 30340 733 39 634 a-Alanine, conf. I
395413.0645 0.3537 -5.4894 3 138.0417243 89502 30340 833 39 534 a-Alanine, conf. I
395433.3150 1.2550 -4.8413 3 576.0136525 89502 30387 186 86 185 a-Alanine, conf. I
395433.3150 1.2550 -4.2106 3 576.0136525 89502 30387 186 86 285 a-Alanine, conf. I
395433.3150 1.2550 -4.2106 3 576.0136525 89502 30387 286 86 185 a-Alanine, conf. I
395433.3150 1.2550 -4.8413 3 576.0136525 89502 30387 286 86 285 a-Alanine, conf. I
395444.1959 0.6306 -4.8718 3 546.8023465 89502 303771562 761561 a-Alanine, conf. I
395444.1959 0.6306 -4.3983 3 546.8023465 89502 303771562 761661 a-Alanine, conf. I
395444.1959 0.6306 -4.3983 3 546.8023465 89502 303771662 761561 a-Alanine, conf. I
395444.1959 0.6306 -4.8718 3 546.8023465 89502 303771662 761661 a-Alanine, conf. I
395446.4636 1.2063 -4.4953 3 308.3830333 89502 303552233 542134 a-Alanine, conf. I
395521.6310 2.7207 -4.6893 3 478.9808417 89502 303692446 682345 a-Alanine, conf. I
395581.4588 1.1581 -5.0831 3 584.0575435 89502 303723933 713932 a-Alanine, conf. I
395581.4588 1.1581 -5.0831 3 584.0575435 89502 303723934 713933 a-Alanine, conf. I
395605.9596 0.4330 -5.4039 3 244.6488321 89502 30353 845 52 745 a-Alanine, conf. I
395605.9596 0.4330 -5.4039 3 244.6488321 89502 30353 945 52 845 a-Alanine, conf. I
395712.3402 3.7961 -4.7047 3 466.0415411 89502 303682445 672344 a-Alanine, conf. I
395718.7364 0.6338 -4.8668 3 566.8509495 89502 30382 874 81 873 a-Alanine, conf. I
395718.7364 0.6338 -4.2946 3 566.8509495 89502 30382 874 81 973 a-Alanine, conf. I
395718.7364 0.6338 -4.2946 3 566.8509495 89502 30382 974 81 873 a-Alanine, conf. I
395718.7364 0.6338 -4.8668 3 566.8509495 89502 30382 974 81 973 a-Alanine, conf. I
395768.0376 3.9932 -4.8659 3 249.4778303 89502 303501832 491733 a-Alanine, conf. I
395812.1814 0.4176 -4.4103 3 311.1634333 89502 303552333 542232 a-Alanine, conf. I
395835.7549 1.3588 -5.2143 3 313.4955339 89502 303562037 551937 a-Alanine, conf. I
395838.9519 1.7099 -4.9167 3 530.0743429 89502 303713141 703140 a-Alanine, conf. I
395843.4573 1.7132 -4.9167 3 530.0744429 89502 303713140 703139 a-Alanine, conf. I
395872.4443 0.7300 -5.2743 3 274.0875327 89502 303541341 531241 a-Alanine, conf. I
395872.5614 0.7300 -5.2743 3 274.0875327 89502 303541441 531341 a-Alanine, conf. I
395908.7552 1.9041 -4.8411 3 501.6962423 89502 303702744 692743 a-Alanine, conf. I
395938.6253 0.8857 -5.0835 3 174.6853261 89502 303431231 421132 a-Alanine, conf. I
396018.6681 0.1124 -5.0819 3 256.8860267 89502 303443410 433310 a-Alanine, conf. I
396018.6681 0.1124 -3.9669 3 256.8860267 89502 303443410 433311 a-Alanine, conf. I
396018.6681 0.1124 -3.9669 3 256.8860267 89502 303443411 433310 a-Alanine, conf. I
396018.6681 0.1124 -5.0819 3 256.8860267 89502 303443411 433311 a-Alanine, conf. I
396027.7727 0.8735 -5.0833 3 174.6852261 89502 303431331 421032 a-Alanine, conf. I
396083.8688 1.2167 -5.0610 3 578.2850435 89502 303723834 713833 a-Alanine, conf. I
396083.8688 1.2167 -5.0610 3 578.2850435 89502 303723835 713834 a-Alanine, conf. I
396140.3695 0.6330 -4.4617 3 536.5947453 89502 303751857 741956 a-Alanine, conf. I
396140.3706 0.6330 -4.8675 3 536.5947453 89502 303751957 741956 a-Alanine, conf. I
396140.3721 0.6330 -4.8675 3 536.5947453 89502 303751857 741856 a-Alanine, conf. I
396140.3733 0.6330 -4.4617 3 536.5947453 89502 303751957 741856 a-Alanine, conf. I
396256.5019 0.6158 -4.8734 3 561.4846483 89502 303801169 791168 a-Alanine, conf. I
396256.5019 0.6158 -4.3363 3 561.4846483 89502 303801169 791268 a-Alanine, conf. I
396256.5019 0.6158 -4.3363 3 561.4846483 89502 303801269 791168 a-Alanine, conf. I
396256.5019 0.6158 -4.8734 3 561.4846483 89502 303801269 791268 a-Alanine, conf. I
396300.4042 0.8717 -4.8564 3 575.2901513 89502 30385 481 84 480 a-Alanine, conf. I
396300.4042 0.8717 -4.2474 3 575.2901513 89502 30385 481 84 580 a-Alanine, conf. I
396300.4042 0.8717 -4.2474 3 575.2901513 89502 30385 581 84 480 a-Alanine, conf. I
396300.4042 0.8717 -4.8564 3 575.2901513 89502 30385 581 84 580 a-Alanine, conf. I
396300.4295 0.8102 -5.7268 3 748.2460441 89502 303735914 725913 a-Alanine, conf. I
396300.4295 0.8102 -5.7268 3 748.2460441 89502 303735915 725914 a-Alanine, conf. I
396376.5326 0.2854 -5.1942 3 311.1634333 89502 303552332 542232 a-Alanine, conf. I
396417.2638 0.7848 -5.6810 3 739.1372441 89502 303735815 725814 a-Alanine, conf. I
396417.2638 0.7848 -5.6810 3 739.1372441 89502 303735816 725815 a-Alanine, conf. I
396505.6740 1.4970 -4.8284 3 498.4796423 89502 303702645 692644 a-Alanine, conf. I
396519.2447 0.6292 -4.8328 3 505.2554429 89502 303712448 702447 a-Alanine, conf. I
396523.1185 2.6765 -4.9412 3 217.7386285 89502 303471631 461532 a-Alanine, conf. I
396541.6287 0.2545 -5.7547 3 138.2437225 89502 303371720 361423 a-Alanine, conf. I
396541.9169 0.7647 -5.6374 3 730.1890441 89502 303735716 725715 a-Alanine, conf. I
396541.9169 0.7647 -5.6374 3 730.1890441 89502 303735717 725716 a-Alanine, conf. I
396572.8088 1.4381 -4.8398 3 580.1872531 89502 30388 088 87 087 a-Alanine, conf. I
396572.8088 1.4381 -4.2026 3 580.1872531 89502 30388 088 87 187 a-Alanine, conf. I
396572.8088 1.4381 -4.2026 3 580.1872531 89502 30388 188 87 087 a-Alanine, conf. I
396572.8088 1.4381 -4.8398 3 580.1872531 89502 30388 188 87 187 a-Alanine, conf. I
396639.6719 1.2798 -5.0395 3 572.6954435 89502 303723735 713734 a-Alanine, conf. I
396639.6719 1.2798 -5.0395 3 572.6954435 89502 303723736 713735 a-Alanine, conf. I
396674.9583 0.7500 -5.5958 3 721.4017441 89502 303735617 725616 a-Alanine, conf. I
396674.9583 0.7500 -5.5958 3 721.4017441 89502 303735618 725617 a-Alanine, conf. I
396692.7983 0.1192 -5.0910 3 259.8563273 89502 303453312 443212 a-Alanine, conf. I
396692.7983 0.1192 -3.9892 3 259.8563273 89502 303453312 443213 a-Alanine, conf. I
396692.7983 0.1192 -3.9892 3 259.8563273 89502 303453313 443212 a-Alanine, conf. I
396692.7983 0.1192 -5.0910 3 259.8563273 89502 303453313 443213 a-Alanine, conf. I
396748.4160 0.4449 -5.4459 3 240.1756321 89502 30353 746 52 646 a-Alanine, conf. I
396748.4160 0.4449 -5.4459 3 240.1756321 89502 30353 846 52 746 a-Alanine, conf. I
396755.6055 0.6333 -4.8759 3 554.1023471 89502 303781464 771463 a-Alanine, conf. I
396755.6055 0.6333 -4.3834 3 554.1023471 89502 303781464 771563 a-Alanine, conf. I
396755.6055 0.6333 -4.3834 3 554.1023471 89502 303781564 771463 a-Alanine, conf. I
396755.6055 0.6333 -4.8759 3 554.1023471 89502 303781564 771563 a-Alanine, conf. I
396799.0169 1.8364 -4.6756 3 492.0196423 89502 303702447 692346 a-Alanine, conf. I
396800.0838 0.6285 -4.6009 3 514.8206435 89502 303722250 712349 a-Alanine, conf. I
396817.0163 0.7411 -5.5561 3 712.7758441 89502 303735518 725517 a-Alanine, conf. I
396817.0163 0.7411 -5.5561 3 712.7758441 89502 303735519 725518 a-Alanine, conf. I
396817.9182 1.1369 -5.2356 3 294.2870333 89502 303551639 541539 a-Alanine, conf. I
396874.2868 1.1211 -5.2354 3 294.2876333 89502 303551739 541639 a-Alanine, conf. I
396919.6205 0.6138 -4.8449 3 514.8206435 89502 303722350 712349 a-Alanine, conf. I
396968.7846 0.7381 -5.5180 3 704.3117441 89502 303735419 725418 a-Alanine, conf. I
396968.7846 0.7381 -5.5180 3 704.3117441 89502 303735420 725419 a-Alanine, conf. I
397001.5441 0.6714 -4.8679 3 572.5788501 89502 30383 776 82 775 a-Alanine, conf. I
397001.5441 0.6714 -4.2853 3 572.5788501 89502 30383 776 82 875 a-Alanine, conf. I
397001.5441 0.6714 -4.2853 3 572.5788501 89502 30383 876 82 775 a-Alanine, conf. I
397001.5441 0.6714 -4.8679 3 572.5788501 89502 30383 876 82 875 a-Alanine, conf. I
397032.5141 0.6085 -4.8447 3 514.8128435 89502 303722250 712249 a-Alanine, conf. I
397131.0322 0.7408 -5.4815 3 696.0100441 89502 303735320 725319 a-Alanine, conf. I
397131.0322 0.7408 -5.4815 3 696.0100441 89502 303735321 725320 a-Alanine, conf. I
397152.0509 0.6096 -4.6000 3 514.8128435 89502 303722350 712249 a-Alanine, conf. I
397186.9021 1.8508 -4.8985 3 525.8924429 89502 303713042 703041 a-Alanine, conf. I
397221.7183 1.8740 -4.8984 3 525.8935429 89502 303713041 703040 a-Alanine, conf. I
397258.0496 1.3481 -5.0186 3 567.2926435 89502 303723637 713636 a-Alanine, conf. I
397258.0497 1.3481 -5.0186 3 567.2926435 89502 303723636 713635 a-Alanine, conf. I
397304.6138 0.7491 -5.4465 3 687.8710441 89502 303735221 725220 a-Alanine, conf. I
397304.6138 0.7491 -5.4465 3 687.8710441 89502 303735222 725221 a-Alanine, conf. I
397318.4760 0.5249 -5.2020 3 318.7690339 89502 303562235 552135 a-Alanine, conf. I
397340.9656 0.1285 -5.1002 3 263.1895279 89502 303463214 453114 a-Alanine, conf. I
397340.9656 0.1285 -4.0130 3 263.1895279 89502 303463214 453115 a-Alanine, conf. I
397340.9656 0.1285 -4.0130 3 263.1895279 89502 303463215 453114 a-Alanine, conf. I
397340.9656 0.1285 -5.1002 3 263.1895279 89502 303463215 453115 a-Alanine, conf. I
397345.1367 3.5695 -4.8048 3 485.8076417 89502 303692643 682642 a-Alanine, conf. I
397354.6982 0.6412 -4.4408 3 544.6295459 89502 303761759 751858 a-Alanine, conf. I
397354.6982 0.6412 -4.8735 3 544.6295459 89502 303761859 751858 a-Alanine, conf. I
397354.6983 0.6412 -4.8735 3 544.6295459 89502 303761759 751758 a-Alanine, conf. I
397354.6983 0.6412 -4.4408 3 544.6295459 89502 303761859 751758 a-Alanine, conf. I
397385.8503 1.7568 -5.2236 3 310.6067339 89502 303561838 551738 a-Alanine, conf. I
397490.4822 0.7627 -5.4128 3 679.8954441 89502 303735122 725121 a-Alanine, conf. I
397490.4822 0.7627 -5.4128 3 679.8954441 89502 303735123 725122 a-Alanine, conf. I
397507.8720 0.9922 -4.8560 3 580.1397519 89502 30386 383 85 382 a-Alanine, conf. I
397507.8720 0.9922 -4.2392 3 580.1397519 89502 30386 383 85 482 a-Alanine, conf. I
397507.8720 0.9922 -4.2392 3 580.1397519 89502 30386 483 85 382 a-Alanine, conf. I
397507.8720 0.9922 -4.8560 3 580.1397519 89502 30386 483 85 482 a-Alanine, conf. I
397511.0321 0.6260 -4.5541 3 524.0211441 89502 303732152 722251 a-Alanine, conf. I
397518.3819 0.6255 -4.8555 3 524.0211441 89502 303732252 722251 a-Alanine, conf. I
397526.1708 0.6251 -4.8555 3 524.0206441 89502 303732152 722151 a-Alanine, conf. I
397533.5206 0.6247 -4.5541 3 524.0206441 89502 303732252 722151 a-Alanine, conf. I
397574.0992 0.6212 -4.8757 3 567.8827489 89502 303811071 801070 a-Alanine, conf. I
397574.0992 0.6212 -4.3255 3 567.8827489 89502 303811071 801170 a-Alanine, conf. I
397574.0992 0.6212 -4.3255 3 567.8827489 89502 303811171 801070 a-Alanine, conf. I
397574.0992 0.6212 -4.8757 3 567.8827489 89502 303811171 801170 a-Alanine, conf. I
397599.5778 0.2439 -5.1918 3 311.1038333 89502 303552333 542233 a-Alanine, conf. I
397604.1128 4.8576 -4.7189 3 453.1985405 89502 303672444 662343 a-Alanine, conf. I
397642.4693 0.6383 -5.2931 3 270.2613327 89502 303541242 531142 a-Alanine, conf. I
397642.4779 0.6383 -5.2931 3 270.2613327 89502 303541342 531242 a-Alanine, conf. I
397689.7037 0.7815 -5.3803 3 672.0839441 89502 303735023 725022 a-Alanine, conf. I
397689.7037 0.7815 -5.3803 3 672.0839441 89502 303735024 725023 a-Alanine, conf. I
397693.5563 0.6573 -4.8298 3 505.1669429 89502 303712348 702347 a-Alanine, conf. I
397812.6267 0.4801 -5.4967 3 235.5629321 89502 30353 647 52 547 a-Alanine, conf. I
397812.6267 0.4801 -5.4967 3 235.5629321 89502 30353 747 52 647 a-Alanine, conf. I
397858.4733 0.6896 -5.2182 3 352.4485357 89502 303592237 582137 a-Alanine, conf. I
397864.4222 0.1725 -5.0404 3 254.4235243 89502 3034039 1 3938 1 a-Alanine, conf. I
397864.4222 0.1725 -3.8790 3 254.4235243 89502 3034039 1 3938 2 a-Alanine, conf. I
397864.4222 0.1725 -3.8790 3 254.4235243 89502 3034039 2 3938 1 a-Alanine, conf. I
397864.4222 0.1725 -5.0404 3 254.4235243 89502 3034039 2 3938 2 a-Alanine, conf. I
397903.4758 0.8049 -5.3489 3 664.4370441 89502 303734924 724923 a-Alanine, conf. I
397903.4758 0.8049 -5.3489 3 664.4370441 89502 303734925 724924 a-Alanine, conf. I
397927.2689 1.1083 -5.2372 3 194.3313267 89502 303441827 431528 a-Alanine, conf. I
397950.7748 1.4229 -4.9983 3 562.0808435 89502 303723538 713537 a-Alanine, conf. I
397950.7758 1.4229 -4.9983 3 562.0808435 89502 303723537 713536 a-Alanine, conf. I
397953.6931 0.1393 -5.1096 3 266.8906285 89502 303473116 463016 a-Alanine, conf. I
397953.6931 0.1393 -4.0386 3 266.8906285 89502 303473116 463017 a-Alanine, conf. I
397953.6931 0.1393 -4.0386 3 266.8906285 89502 303473117 463016 a-Alanine, conf. I
397953.6931 0.1393 -5.1096 3 266.8906285 89502 303473117 463017 a-Alanine, conf. I
398017.2669 3.9324 -4.6308 3 365.7196363 89502 303602338 592237 a-Alanine, conf. I
398077.3095 0.6343 -4.8795 3 561.1834477 89502 303791366 781365 a-Alanine, conf. I
398077.3095 0.6343 -4.3701 3 561.1834477 89502 303791366 781465 a-Alanine, conf. I
398077.3095 0.6343 -4.3701 3 561.1834477 89502 303791466 781365 a-Alanine, conf. I
398077.3095 0.6343 -4.8795 3 561.1834477 89502 303791466 781465 a-Alanine, conf. I
398084.2776 1.0332 -4.9519 3 209.2128279 89502 303461730 451431 a-Alanine, conf. I
398133.1488 0.8326 -5.3187 3 656.9557441 89502 303734825 724824 a-Alanine, conf. I
398133.1488 0.8326 -5.3187 3 656.9557441 89502 303734826 724825 a-Alanine, conf. I
398163.9289 0.3566 -4.4063 3 311.1038333 89502 303552332 542233 a-Alanine, conf. I
398266.5021 0.7280 -4.8686 3 578.0981507 89502 30384 678 83 677 a-Alanine, conf. I
398266.5021 0.7280 -4.2765 3 578.0981507 89502 30384 678 83 777 a-Alanine, conf. I
398266.5021 0.7280 -4.2765 3 578.0981507 89502 30384 778 83 677 a-Alanine, conf. I
398266.5021 0.7280 -4.8686 3 578.0981507 89502 30384 778 83 777 a-Alanine, conf. I
398279.4819 0.6865 -5.1270 3 202.7942273 89502 303451828 441529 a-Alanine, conf. I
398380.2527 0.8644 -5.2895 3 649.6406441 89502 303734726 724725 a-Alanine, conf. I
398380.2527 0.8644 -5.2895 3 649.6406441 89502 303734727 724726 a-Alanine, conf. I
398387.0252 0.6364 -4.5191 3 532.8973447 89502 303742054 732153 a-Alanine, conf. I
398387.3867 0.6364 -4.8645 3 532.8973447 89502 303742154 732153 a-Alanine, conf. I
398387.8055 0.6364 -4.8645 3 532.8973447 89502 303742054 732053 a-Alanine, conf. I
398388.1671 0.6364 -4.5191 3 532.8973447 89502 303742154 732053 a-Alanine, conf. I
398517.8577 0.1508 -5.1192 3 270.9661291 89502 303483018 472918 a-Alanine, conf. I
398517.8577 0.1508 -4.0664 3 270.9661291 89502 303483018 472919 a-Alanine, conf. I
398517.8577 0.1508 -4.0664 3 270.9661291 89502 303483019 472918 a-Alanine, conf. I
398517.8577 0.1508 -5.1192 3 270.9661291 89502 303483019 472919 a-Alanine, conf. I
398591.2184 0.1450 -5.0486 3 255.8153249 89502 3034138 3 4037 3 a-Alanine, conf. I
398591.2184 0.1450 -3.8959 3 255.8153249 89502 3034138 3 4037 4 a-Alanine, conf. I
398591.2184 0.1450 -3.8959 3 255.8153249 89502 3034138 4 4037 3 a-Alanine, conf. I
398591.2184 0.1450 -5.0486 3 255.8153249 89502 3034138 4 4037 4 a-Alanine, conf. I
398618.5497 0.6476 -4.8788 3 552.4260465 89502 303771661 761660 a-Alanine, conf. I
398618.5497 0.6476 -4.4227 3 552.4260465 89502 303771661 761760 a-Alanine, conf. I
398618.5497 0.6476 -4.4227 3 552.4260465 89502 303771761 761660 a-Alanine, conf. I
398618.5497 0.6476 -4.8788 3 552.4260465 89502 303771761 761760 a-Alanine, conf. I
398646.5293 0.8998 -5.2613 3 642.4929441 89502 303734627 724626 a-Alanine, conf. I
398646.5293 0.8998 -5.2613 3 642.4929441 89502 303734628 724627 a-Alanine, conf. I
398689.4528 0.2116 -4.3233 3 303.9588327 89502 303542431 532330 a-Alanine, conf. I
398691.3320 1.1355 -4.8553 3 584.7781525 89502 30387 285 86 284 a-Alanine, conf. I
398691.3320 1.1355 -4.2312 3 584.7781525 89502 30387 285 86 384 a-Alanine, conf. I
398691.3320 1.1355 -4.2312 3 584.7781525 89502 30387 385 86 284 a-Alanine, conf. I
398691.3320 1.1355 -4.8553 3 584.7781525 89502 30387 385 86 384 a-Alanine, conf. I
398706.7919 1.4202 -5.2210 3 310.6253339 89502 303561938 551838 a-Alanine, conf. I
398707.8228 0.5862 -4.7851 3 481.4429417 89502 303692445 682444 a-Alanine, conf. I
398723.6347 0.2135 -5.1808 3 303.9588327 89502 303542430 532330 a-Alanine, conf. I
398733.3431 1.5061 -4.9786 3 557.0656435 89502 303723439 713438 a-Alanine, conf. I
398733.3546 1.5061 -4.9786 3 557.0656435 89502 303723438 713437 a-Alanine, conf. I
398790.2568 2.0016 -4.8805 3 521.9607429 89502 303712943 702942 a-Alanine, conf. I
398808.6501 0.5337 -5.5597 3 230.8131321 89502 30353 548 52 448 a-Alanine, conf. I
398808.6501 0.5337 -5.5597 3 230.8131321 89502 30353 648 52 548 a-Alanine, conf. I
398816.8497 0.2204 -5.1806 3 303.9545327 89502 303542431 532331 a-Alanine, conf. I
398851.0316 0.2243 -4.3230 3 303.9545327 89502 303542430 532331 a-Alanine, conf. I
398867.2518 1.0980 -5.0344 3 185.1718267 89502 303441331 431232 a-Alanine, conf. I
398881.2785 0.6339 -4.8776 3 574.0712495 89502 30382 973 81 972 a-Alanine, conf. I
398881.2785 0.6339 -4.3154 3 574.0712495 89502 30382 973 811072 a-Alanine, conf. I
398881.2785 0.6339 -4.3154 3 574.0712495 89502 303821073 81 972 a-Alanine, conf. I
398881.2785 0.6339 -4.8776 3 574.0712495 89502 303821073 811072 a-Alanine, conf. I
398933.9726 0.9386 -5.2340 3 635.5135441 89502 303734528 724527 a-Alanine, conf. I
398933.9726 0.9386 -5.2340 3 635.5135441 89502 303734529 724528 a-Alanine, conf. I
398969.3293 0.7399 -4.4444 3 321.5736339 89502 303562334 552233 a-Alanine, conf. I
399014.9379 0.1630 -5.1289 3 275.4239297 89502 303492920 482820 a-Alanine, conf. I
399014.9379 0.1630 -4.0967 3 275.4239297 89502 303492920 482821 a-Alanine, conf. I
399014.9379 0.1630 -4.0967 3 275.4239297 89502 303492921 482820 a-Alanine, conf. I
399014.9379 0.1630 -5.1289 3 275.4239297 89502 303492921 482821 a-Alanine, conf. I
399020.7567 2.1414 -4.8800 3 521.9684429 89502 303712942 702941 a-Alanine, conf. I
399063.9758 3.2627 -4.8337 3 501.8377423 89502 303702743 692742 a-Alanine, conf. I
399173.2901 1.2229 -4.6644 3 505.1669429 89502 303712448 702347 a-Alanine, conf. I
399190.9443 0.6026 -5.2109 3 161.3696255 89502 303421032 41 933 a-Alanine, conf. I
399192.6221 0.6024 -5.2109 3 161.3696255 89502 303421132 41 833 a-Alanine, conf. I
399230.7755 1.0471 -5.0338 3 185.1715267 89502 303441431 431132 a-Alanine, conf. I
399233.4436 0.5622 -5.3149 3 266.2750327 89502 303541143 531043 a-Alanine, conf. I
399233.4441 0.5622 -5.3149 3 266.2750327 89502 303541243 531143 a-Alanine, conf. I
399244.8792 0.9806 -5.2076 3 628.7036441 89502 303734429 724428 a-Alanine, conf. I
399244.8792 0.9806 -5.2076 3 628.7036441 89502 303734430 724429 a-Alanine, conf. I
399311.9571 0.1262 -5.0570 3 257.5559255 89502 3034237 5 4136 5 a-Alanine, conf. I
399311.9571 0.1262 -3.9137 3 257.5559255 89502 3034237 5 4136 6 a-Alanine, conf. I
399311.9571 0.1262 -3.9137 3 257.5559255 89502 3034237 6 4136 5 a-Alanine, conf. I
399311.9571 0.1262 -5.0570 3 257.5559255 89502 3034237 6 4136 6 a-Alanine, conf. I
399401.8033 0.6348 -4.8828 3 568.0492483 89502 303801268 791267 a-Alanine, conf. I
399401.8033 0.6348 -4.3579 3 568.0492483 89502 303801268 791367 a-Alanine, conf. I
399401.8033 0.6348 -4.3579 3 568.0492483 89502 303801368 791267 a-Alanine, conf. I
399401.8033 0.6348 -4.8828 3 568.0492483 89502 303801368 791367 a-Alanine, conf. I
399418.1026 0.1759 -5.1388 3 280.2741303 89502 303502822 492722 a-Alanine, conf. I
399418.1026 0.1759 -4.1302 3 280.2741303 89502 303502823 492722 a-Alanine, conf. I
399418.1027 0.1759 -4.1302 3 280.2741303 89502 303502822 492723 a-Alanine, conf. I
399418.1027 0.1759 -5.1388 3 280.2741303 89502 303502823 492723 a-Alanine, conf. I
399432.7551 0.6463 -4.4912 3 541.4851453 89502 303751956 742055 a-Alanine, conf. I
399432.7697 0.6463 -4.8723 3 541.4851453 89502 303752056 742055 a-Alanine, conf. I
399432.7879 0.6463 -4.8723 3 541.4851453 89502 303751956 741955 a-Alanine, conf. I
399432.8025 0.6463 -4.4912 3 541.4851453 89502 303752056 741955 a-Alanine, conf. I
399436.6767 0.9807 -5.2468 3 290.8839333 89502 303551540 541440 a-Alanine, conf. I
399443.0825 0.9789 -5.2468 3 290.8840333 89502 303551640 541540 a-Alanine, conf. I
399511.6651 0.8061 -4.8690 3 583.4085513 89502 30385 580 84 579 a-Alanine, conf. I
399511.6651 0.8061 -4.2680 3 583.4085513 89502 30385 580 84 679 a-Alanine, conf. I
399511.6651 0.8061 -4.2680 3 583.4085513 89502 30385 680 84 579 a-Alanine, conf. I
399511.6651 0.8061 -4.8690 3 583.4085513 89502 30385 680 84 679 a-Alanine, conf. I
399518.6587 0.2128 -4.2609 3 297.3388321 89502 303532529 522428 a-Alanine, conf. I
399520.1495 0.2130 -5.1696 3 297.3388321 89502 303532528 522428 a-Alanine, conf. I
399524.9589 0.2135 -5.1696 3 297.3386321 89502 303532529 522429 a-Alanine, conf. I
399526.4496 0.2137 -4.2609 3 297.3386321 89502 303532528 522429 a-Alanine, conf. I
399581.9125 1.0257 -5.1820 3 622.0646441 89502 303734330 724329 a-Alanine, conf. I
399581.9125 1.0257 -5.1820 3 622.0646441 89502 303734331 724330 a-Alanine, conf. I
399626.8077 1.6005 -4.9595 3 552.2538435 89502 303723340 713339 a-Alanine, conf. I
399626.9294 1.6006 -4.9595 3 552.2538435 89502 303723339 713338 a-Alanine, conf. I
399676.0884 1.3747 -5.3590 3 186.0001261 89502 303431826 421527 a-Alanine, conf. I
399687.0520 0.1894 -4.1677 3 285.5300309 89502 303512725 502624 a-Alanine, conf. I
399687.0532 0.1894 -5.1488 3 285.5300309 89502 303512724 502624 a-Alanine, conf. I
399687.0582 0.1894 -5.1488 3 285.5300309 89502 303512725 502625 a-Alanine, conf. I
399687.0594 0.1894 -4.1677 3 285.5300309 89502 303512724 502625 a-Alanine, conf. I
399744.7400 0.6007 -5.6403 3 225.9281321 89502 30353 449 52 349 a-Alanine, conf. I
399744.7400 0.6007 -5.6403 3 225.9281321 89502 30353 549 52 449 a-Alanine, conf. I
399757.9608 0.2026 -4.2105 3 291.2097315 89502 303522627 512526 a-Alanine, conf. I
399758.0092 0.2026 -5.1591 3 291.2097315 89502 303522626 512526 a-Alanine, conf. I
399758.1887 0.2026 -5.1591 3 291.2097315 89502 303522627 512527 a-Alanine, conf. I
399758.2371 0.2026 -4.2105 3 291.2097315 89502 303522626 512527 a-Alanine, conf. I
399849.5468 1.3012 -4.8543 3 589.2039531 89502 30388 187 87 186 a-Alanine, conf. I
399849.5468 1.3012 -4.2234 3 589.2039531 89502 30388 187 87 286 a-Alanine, conf. I
399849.5468 1.3012 -4.2234 3 589.2039531 89502 30388 287 87 186 a-Alanine, conf. I
399849.5468 1.3012 -4.8543 3 589.2039531 89502 30388 287 87 286 a-Alanine, conf. I
399875.5310 2.3687 -5.2242 3 323.8620345 89502 303571938 561838 a-Alanine, conf. I
399913.3064 0.6521 -4.8836 3 559.9929471 89502 303781563 771562 a-Alanine, conf. I
399913.3064 0.6521 -4.4068 3 559.9929471 89502 303781563 771662 a-Alanine, conf. I
399913.3064 0.6521 -4.4068 3 559.9929471 89502 303781663 771562 a-Alanine, conf. I
399913.3064 0.6521 -4.8836 3 559.9929471 89502 303781663 771662 a-Alanine, conf. I
399948.1852 1.0740 -5.1573 3 615.5982441 89502 303734231 724230 a-Alanine, conf. I
399948.1852 1.0740 -5.1573 3 615.5982441 89502 303734232 724231 a-Alanine, conf. I
399948.8326 0.8340 -4.8328 3 508.5492429 89502 303712547 702546 a-Alanine, conf. I
400005.0727 0.8779 -4.6614 3 518.4819435 89502 303722349 712448 a-Alanine, conf. I
400024.2644 0.1165 -5.0656 3 259.6475261 89502 3034336 7 4235 7 a-Alanine, conf. I
400024.2644 0.1165 -3.9326 3 259.6475261 89502 3034336 7 4235 8 a-Alanine, conf. I
400024.2644 0.1165 -3.9326 3 259.6475261 89502 3034336 8 4235 7 a-Alanine, conf. I
400024.2644 0.1165 -5.0656 3 259.6475261 89502 3034336 8 4235 8 a-Alanine, conf. I
400046.6015 2.7650 -4.7571 3 521.8901435 89502 303722448 712547 a-Alanine, conf. I
400099.4466 0.4272 -5.1998 3 321.5736339 89502 303562333 552233 a-Alanine, conf. I
400174.9328 0.6581 -4.8792 3 580.0507501 89502 30383 875 82 874 a-Alanine, conf. I
400174.9328 0.6581 -4.3060 3 580.0507501 89502 30383 875 82 974 a-Alanine, conf. I
400174.9328 0.6581 -4.3060 3 580.0507501 89502 30383 975 82 874 a-Alanine, conf. I
400174.9328 0.6581 -4.8792 3 580.0507501 89502 30383 975 82 974 a-Alanine, conf. I
400250.8140 6.2042 -4.8778 3 538.6930441 89502 303732548 722647 a-Alanine, conf. I
400347.3667 1.1253 -5.1333 3 609.3059441 89502 303734132 724131 a-Alanine, conf. I
400347.3667 1.1253 -5.1333 3 609.3059441 89502 303734133 724132 a-Alanine, conf. I
400400.7659 1.9118 -4.9640 3 206.7057279 89502 303461531 451432 a-Alanine, conf. I
400411.3196 2.9727 -5.2255 3 350.5569357 89502 303592138 582038 a-Alanine, conf. I
400416.5670 3.0475 -5.2271 3 337.2004351 89502 303582038 571938 a-Alanine, conf. I
400553.3304 2.0767 -4.8630 3 518.2978429 89502 303712844 702843 a-Alanine, conf. I
400572.0503 0.4154 -5.3820 3 148.0080249 89502 30341 833 40 734 a-Alanine, conf. I
400572.0677 0.4154 -5.3820 3 148.0080249 89502 30341 933 40 634 a-Alanine, conf. I
400588.2121 0.6555 -4.4680 3 549.8085459 89502 303761858 751957 a-Alanine, conf. I
400588.2126 0.6555 -4.8792 3 549.8085459 89502 303761958 751957 a-Alanine, conf. I
400588.2133 0.6555 -4.8792 3 549.8085459 89502 303761858 751857 a-Alanine, conf. I
400588.2138 0.6555 -4.4680 3 549.8085459 89502 303761958 751857 a-Alanine, conf. I
400660.7574 1.7104 -4.9407 3 547.6541435 89502 303723241 713240 a-Alanine, conf. I
400661.9101 1.7113 -4.9407 3 547.6541435 89502 303723240 713239 a-Alanine, conf. I
400673.3786 1.4064 -4.9942 3 195.8477273 89502 303451431 441332 a-Alanine, conf. I
400679.2559 0.5044 -5.3403 3 262.1345327 89502 303541044 53 944 a-Alanine, conf. I
400679.2559 0.5044 -5.3403 3 262.1345327 89502 303541144 531044 a-Alanine, conf. I
400714.7133 0.2096 -5.7009 3 145.1997231 89502 303381721 371424 a-Alanine, conf. I
400723.3351 0.6367 -4.8856 3 574.7023489 89502 303811170 801169 a-Alanine, conf. I
400723.3351 0.6367 -4.3468 3 574.7023489 89502 303811170 801269 a-Alanine, conf. I
400723.3351 0.6367 -4.3468 3 574.7023489 89502 303811270 801169 a-Alanine, conf. I
400723.3351 0.6367 -4.8856 3 574.7023489 89502 303811270 801269 a-Alanine, conf. I
400724.9708 0.1150 -5.0744 3 262.0927267 89502 3034435 9 4334 9 a-Alanine, conf. I
400724.9708 0.1150 -3.9526 3 262.0927267 89502 3034435 9 433410 a-Alanine, conf. I
400724.9708 0.1150 -3.9526 3 262.0927267 89502 303443510 4334 9 a-Alanine, conf. I
400724.9708 0.1150 -5.0744 3 262.0927267 89502 303443510 433410 a-Alanine, conf. I
400735.3355 0.9071 -4.8692 3 588.5092519 89502 30386 482 85 481 a-Alanine, conf. I
400735.3355 0.9071 -4.2598 3 588.5092519 89502 30386 482 85 581 a-Alanine, conf. I
400735.3355 0.9071 -4.2598 3 588.5092519 89502 30386 582 85 481 a-Alanine, conf. I
400735.3355 0.9071 -4.8692 3 588.5092519 89502 30386 582 85 581 a-Alanine, conf. I
400761.0028 3.0002 -4.5818 3 354.2967357 89502 303592337 582236 a-Alanine, conf. I
400770.5894 0.3550 -5.6202 3 134.6397243 89502 30340 634 39 535 a-Alanine, conf. I
400770.5895 0.3550 -5.6202 3 134.6397243 89502 30340 734 39 435 a-Alanine, conf. I
400783.8262 1.1800 -5.1101 3 603.1900441 89502 303734033 724032 a-Alanine, conf. I
400783.8262 1.1800 -5.1101 3 603.1900441 89502 303734034 724033 a-Alanine, conf. I
400811.2165 0.6354 -4.8448 3 518.4819435 89502 303722449 712448 a-Alanine, conf. I
400981.3861 1.4886 -4.8530 3 593.4155537 89502 30389 089 88 088 a-Alanine, conf. I
400981.3861 1.4886 -4.2157 3 593.4155537 89502 30389 089 88 188 a-Alanine, conf. I
400981.3861 1.4886 -4.2157 3 593.4155537 89502 30389 189 88 088 a-Alanine, conf. I
400981.3861 1.4886 -4.8530 3 593.4155537 89502 30389 189 88 188 a-Alanine, conf. I
401093.3590 1.2803 -4.4846 3 332.2252345 89502 303572335 562234 a-Alanine, conf. I
401107.5318 5.6312 -4.7265 3 440.4614399 89502 303662443 652342 a-Alanine, conf. I
401124.8297 0.2519 -5.0409 3 211.3723279 89502 303461829 451530 a-Alanine, conf. I
401149.0607 0.6425 -4.5981 3 528.0604441 89502 303732251 722350 a-Alanine, conf. I
401209.6560 0.6363 -4.8570 3 528.0604441 89502 303732351 722350 a-Alanine, conf. I
401225.9941 0.6544 -4.8879 3 567.3366477 89502 303791465 781464 a-Alanine, conf. I
401225.9941 0.6544 -4.3927 3 567.3366477 89502 303791465 781564 a-Alanine, conf. I
401225.9941 0.6544 -4.3927 3 567.3366477 89502 303791565 781464 a-Alanine, conf. I
401225.9941 0.6544 -4.8879 3 567.3366477 89502 303791565 781564 a-Alanine, conf. I
401262.8263 1.2384 -5.0875 3 597.2527441 89502 303733934 723933 a-Alanine, conf. I
401262.8263 1.2384 -5.0875 3 597.2527441 89502 303733935 723934 a-Alanine, conf. I
401268.5974 0.6332 -4.8569 3 528.0564441 89502 303732251 722250 a-Alanine, conf. I
401329.1928 0.6315 -4.5977 3 528.0564441 89502 303732351 722250 a-Alanine, conf. I
401409.8386 0.1195 -5.0834 3 264.8945273 89502 303453411 443311 a-Alanine, conf. I
401409.8386 0.1195 -3.9739 3 264.8945273 89502 303453411 443312 a-Alanine, conf. I
401409.8386 0.1195 -3.9739 3 264.8945273 89502 303453412 443311 a-Alanine, conf. I
401409.8386 0.1195 -5.0834 3 264.8945273 89502 303453412 443312 a-Alanine, conf. I
401452.4716 0.6981 -4.8805 3 585.8213507 89502 30384 777 83 776 a-Alanine, conf. I
401452.4716 0.6981 -4.2971 3 585.8213507 89502 30384 777 83 876 a-Alanine, conf. I
401452.4716 0.6981 -4.2971 3 585.8213507 89502 30384 877 83 776 a-Alanine, conf. I
401452.4716 0.6981 -4.8805 3 585.8213507 89502 30384 877 83 876 a-Alanine, conf. I
401484.8066 0.6343 -4.8431 3 518.4325435 89502 303722349 712348 a-Alanine, conf. I
401655.9895 0.8552 -5.2604 3 287.2923333 89502 303551441 541341 a-Alanine, conf. I
401656.6040 0.8550 -5.2604 3 287.2923333 89502 303551541 541441 a-Alanine, conf. I
401715.7914 1.3583 -5.2290 3 307.5234339 89502 303561739 551639 a-Alanine, conf. I
401741.6345 1.2236 -5.2114 3 326.6991345 89502 303572137 562037 a-Alanine, conf. I
401757.8094 0.8916 -4.8024 3 494.7424423 89502 303702446 692445 a-Alanine, conf. I
401761.2735 0.8224 -5.7154 3 761.4652447 89502 303745915 735914 a-Alanine, conf. I
401761.2735 0.8224 -5.7154 3 761.4652447 89502 303745916 735915 a-Alanine, conf. I
401788.4220 2.0576 -4.5312 3 343.1305351 89502 303582336 572235 a-Alanine, conf. I
401790.7910 1.3009 -5.0657 3 591.4969441 89502 303733835 723834 a-Alanine, conf. I
401790.7910 1.3009 -5.0657 3 591.4969441 89502 303733836 723835 a-Alanine, conf. I
401803.3076 2.7363 -4.8602 3 518.3465429 89502 303712843 702842 a-Alanine, conf. I
401813.7217 0.6636 -4.8854 3 557.8838465 89502 303771760 761759 a-Alanine, conf. I
401813.7217 0.6636 -4.4482 3 557.8838465 89502 303771760 761859 a-Alanine, conf. I
401813.7217 0.6636 -4.4482 3 557.8838465 89502 303771860 761759 a-Alanine, conf. I
401813.7217 0.6636 -4.8854 3 557.8838465 89502 303771860 761859 a-Alanine, conf. I
401873.3764 0.6487 -4.5556 3 537.2809447 89502 303742153 732252 a-Alanine, conf. I
401876.9067 0.6485 -4.8675 3 537.2809447 89502 303742253 732252 a-Alanine, conf. I
401877.2042 1.8417 -4.9223 3 543.2780435 89502 303723142 713141 a-Alanine, conf. I
401880.7263 0.6483 -4.8675 3 537.2807447 89502 303742153 732152 a-Alanine, conf. I
401883.4538 0.8006 -5.6714 3 752.3603447 89502 303745816 735815 a-Alanine, conf. I
401883.4538 0.8006 -5.6714 3 752.3603447 89502 303745817 735816 a-Alanine, conf. I
401884.2565 0.6482 -4.5555 3 537.2807447 89502 303742253 732152 a-Alanine, conf. I
401886.8632 1.8487 -4.9223 3 543.2783435 89502 303723141 713140 a-Alanine, conf. I
401908.8715 2.2357 -4.7802 3 483.4822417 89502 303692544 682543 a-Alanine, conf. I
401928.3408 1.2980 -5.2286 3 307.5259339 89502 303561839 551739 a-Alanine, conf. I
401936.0111 1.0314 -4.8690 3 593.3991525 89502 30387 384 86 383 a-Alanine, conf. I
401936.0111 1.0314 -4.2519 3 593.3991525 89502 30387 384 86 483 a-Alanine, conf. I
401936.0111 1.0314 -4.2519 3 593.3991525 89502 30387 484 86 383 a-Alanine, conf. I
401936.0111 1.0314 -4.8690 3 593.3991525 89502 30387 484 86 483 a-Alanine, conf. I
401942.4666 1.3568 -4.8369 3 511.7056429 89502 303712646 702645 a-Alanine, conf. I
401942.6859 1.8836 -4.8475 3 514.9023429 89502 303712745 702744 a-Alanine, conf. I
401949.0803 0.8207 -5.6954 3 150.3473237 89502 303391623 381326 a-Alanine, conf. I
401996.4470 1.2213 -4.9923 3 195.8464273 89502 303451531 441232 a-Alanine, conf. I
402004.6627 0.4687 -5.3701 3 257.8448327 89502 30354 945 53 845 a-Alanine, conf. I
402004.6627 0.4687 -5.3701 3 257.8448327 89502 303541045 53 945 a-Alanine, conf. I
402013.7777 0.7842 -5.6294 3 743.4162447 89502 303745717 735716 a-Alanine, conf. I
402013.7777 0.7842 -5.6294 3 743.4162447 89502 303745718 735717 a-Alanine, conf. I
402037.3801 0.6429 -4.8881 3 581.1443495 89502 303821072 811071 a-Alanine, conf. I
402037.3801 0.6429 -4.3365 3 581.1443495 89502 303821072 811171 a-Alanine, conf. I
402037.3801 0.6429 -4.3365 3 581.1443495 89502 303821172 811071 a-Alanine, conf. I
402037.3801 0.6429 -4.8881 3 581.1443495 89502 303821172 811171 a-Alanine, conf. I
402073.1787 0.1278 -5.0926 3 268.0567279 89502 303463313 453213 a-Alanine, conf. I
402073.1787 0.1278 -3.9966 3 268.0567279 89502 303463313 453214 a-Alanine, conf. I
402073.1787 0.1278 -3.9966 3 268.0567279 89502 303463314 453213 a-Alanine, conf. I
402073.1787 0.1278 -5.0926 3 268.0567279 89502 303463314 453214 a-Alanine, conf. I
402152.8417 0.7737 -5.5894 3 734.6333447 89502 303745618 735617 a-Alanine, conf. I
402152.8417 0.7737 -5.5894 3 734.6333447 89502 303745619 735618 a-Alanine, conf. I
402290.9504 0.8701 -4.6558 3 518.4325435 89502 303722449 712348 a-Alanine, conf. I
402301.3037 0.7690 -5.5509 3 726.0122447 89502 303745519 735518 a-Alanine, conf. I
402301.3037 0.7690 -5.5509 3 726.0122447 89502 303745520 735519 a-Alanine, conf. I
402345.3070 0.2816 -5.1956 3 321.4610339 89502 303562334 552234 a-Alanine, conf. I
402375.6874 1.3682 -5.0445 3 585.9259441 89502 303733737 723736 a-Alanine, conf. I
402375.6875 1.3682 -5.0445 3 585.9259441 89502 303733736 723735 a-Alanine, conf. I
402459.8910 0.7702 -5.5141 3 717.5532447 89502 303745420 735419 a-Alanine, conf. I
402459.8910 0.7702 -5.5141 3 717.5532447 89502 303745421 735420 a-Alanine, conf. I
402547.1983 0.6553 -4.8918 3 574.4618483 89502 303801367 791366 a-Alanine, conf. I
402547.1983 0.6553 -4.3800 3 574.4618483 89502 303801367 791466 a-Alanine, conf. I
402547.1983 0.6553 -4.3800 3 574.4618483 89502 303801467 791366 a-Alanine, conf. I
402547.1983 0.6553 -4.8918 3 574.4618483 89502 303801467 791466 a-Alanine, conf. I
402550.8209 0.1967 -5.0338 3 260.4454243 89502 3034040 0 3939 0 a-Alanine, conf. I
402550.8209 0.1967 -3.8683 3 260.4454243 89502 3034040 0 3939 1 a-Alanine, conf. I
402550.8209 0.1967 -3.8683 3 260.4454243 89502 3034040 1 3939 0 a-Alanine, conf. I
402550.8209 0.1967 -5.0338 3 260.4454243 89502 3034040 1 3939 1 a-Alanine, conf. I
402629.4102 0.7771 -5.4787 3 709.2568447 89502 303745321 735320 a-Alanine, conf. I
402629.4102 0.7771 -5.4787 3 709.2568447 89502 303745322 735321 a-Alanine, conf. I
402707.2981 0.1381 -5.1020 3 271.5837285 89502 303473215 463115 a-Alanine, conf. I
402707.2981 0.1381 -4.0210 3 271.5837285 89502 303473215 463116 a-Alanine, conf. I
402707.2981 0.1381 -4.0210 3 271.5837285 89502 303473216 463115 a-Alanine, conf. I
402707.2981 0.1381 -5.1020 3 271.5837285 89502 303473216 463116 a-Alanine, conf. I
402711.6957 0.7575 -4.8814 3 591.3829513 89502 30385 679 84 678 a-Alanine, conf. I
402711.6957 0.7575 -4.2886 3 591.3829513 89502 30385 679 84 778 a-Alanine, conf. I
402711.6957 0.7575 -4.2886 3 591.3829513 89502 30385 779 84 678 a-Alanine, conf. I
402711.6957 0.7575 -4.8814 3 591.3829513 89502 30385 779 84 778 a-Alanine, conf. I
402739.6370 4.4629 -4.8217 3 270.8606315 89502 303521933 511834 a-Alanine, conf. I
402771.0915 1.4570 -5.4768 3 177.8278255 89502 303421825 411526 a-Alanine, conf. I
402792.4501 0.6593 -4.5231 3 546.1861453 89502 303752055 742154 a-Alanine, conf. I
402792.6162 0.6593 -4.8765 3 546.1861453 89502 303752155 742154 a-Alanine, conf. I
402792.8116 0.6593 -4.8765 3 546.1861453 89502 303752055 742054 a-Alanine, conf. I
402792.9777 0.6593 -4.5231 3 546.1861453 89502 303752155 742054 a-Alanine, conf. I
402810.7587 0.7896 -5.4446 3 701.1237447 89502 303745222 735221 a-Alanine, conf. I
402810.7587 0.7896 -5.4446 3 701.1237447 89502 303745223 735222 a-Alanine, conf. I
402903.4722 0.7189 -5.2057 3 329.3439345 89502 303572236 562136 a-Alanine, conf. I
403004.9377 0.8072 -5.4117 3 693.1543447 89502 303745123 735122 a-Alanine, conf. I
403004.9377 0.8072 -5.4117 3 693.1543447 89502 303745124 735123 a-Alanine, conf. I
403027.5846 1.4415 -5.0239 3 580.5437441 89502 303733638 723637 a-Alanine, conf. I
403027.5848 1.4415 -5.0239 3 580.5437441 89502 303733637 723636 a-Alanine, conf. I
403083.9480 0.6698 -4.8909 3 565.7225471 89502 303781662 771661 a-Alanine, conf. I
403083.9480 0.6698 -4.4311 3 565.7225471 89502 303781662 771761 a-Alanine, conf. I
403083.9480 0.6698 -4.4311 3 565.7225471 89502 303781762 771661 a-Alanine, conf. I
403083.9480 0.6698 -4.8909 3 565.7225471 89502 303781762 771761 a-Alanine, conf. I
403112.3458 1.1787 -4.8685 3 598.0770531 89502 30388 286 87 285 a-Alanine, conf. I
403112.3458 1.1787 -4.2443 3 598.0770531 89502 30388 286 87 385 a-Alanine, conf. I
403112.3458 1.1787 -4.2443 3 598.0770531 89502 30388 386 87 285 a-Alanine, conf. I
403112.3458 1.1787 -4.8685 3 598.0770531 89502 30388 386 87 385 a-Alanine, conf. I
403150.5338 3.5256 -4.6485 3 305.8074333 89502 303552134 542035 a-Alanine, conf. I
403213.0686 0.8298 -5.3800 3 685.3494447 89502 303745024 735023 a-Alanine, conf. I
403213.0686 0.8298 -5.3800 3 685.3494447 89502 303745025 735024 a-Alanine, conf. I
403228.4205 0.4585 -5.4052 3 253.4097327 89502 30354 846 53 746 a-Alanine, conf. I
403228.4205 0.4585 -5.4052 3 253.4097327 89502 30354 946 53 846 a-Alanine, conf. I
403276.0085 0.6479 -5.2066 3 332.2252345 89502 303572334 562234 a-Alanine, conf. I
403279.5810 0.1643 -5.0419 3 261.6755249 89502 3034139 2 4038 2 a-Alanine, conf. I
403279.5810 0.1643 -3.8846 3 261.6755249 89502 3034139 2 4038 3 a-Alanine, conf. I
403279.5810 0.1643 -3.8846 3 261.6755249 89502 3034139 3 4038 2 a-Alanine, conf. I
403279.5810 0.1643 -5.0419 3 261.6755249 89502 3034139 3 4038 3 a-Alanine, conf. I
403301.6802 0.1494 -5.1115 3 275.4809291 89502 303483117 473017 a-Alanine, conf. I
403301.6802 0.1494 -4.0473 3 275.4809291 89502 303483117 473018 a-Alanine, conf. I
403301.6802 0.1494 -4.0473 3 275.4809291 89502 303483118 473017 a-Alanine, conf. I
403301.6802 0.1494 -5.1115 3 275.4809291 89502 303483118 473018 a-Alanine, conf. I
403328.4554 1.9960 -4.9042 3 539.1412435 89502 303723043 713042 a-Alanine, conf. I
403332.0053 0.2203 -4.3457 3 314.0665333 89502 303552432 542331 a-Alanine, conf. I
403340.2953 0.6569 -4.8903 3 587.3764501 89502 30383 974 82 973 a-Alanine, conf. I
403340.2953 0.6569 -4.3269 3 587.3764501 89502 30383 974 821073 a-Alanine, conf. I
403340.2953 0.6569 -4.3269 3 587.3764501 89502 303831074 82 973 a-Alanine, conf. I
403340.2953 0.6569 -4.8903 3 587.3764501 89502 303831074 821073 a-Alanine, conf. I
403398.9441 2.0434 -4.9041 3 539.1434435 89502 303723042 713041 a-Alanine, conf. I
403404.6360 0.7404 -5.1438 3 171.7154261 89502 303431132 421033 a-Alanine, conf. I
403407.5484 2.0033 -4.5440 3 318.7690339 89502 303562234 552135 a-Alanine, conf. I
403408.1707 0.2205 -5.1846 3 314.0665333 89502 303552431 542331 a-Alanine, conf. I
403413.4540 0.7391 -5.1438 3 171.7154261 89502 303431232 42 933 a-Alanine, conf. I
403436.4126 0.8568 -5.3494 3 677.7097447 89502 303744925 734924 a-Alanine, conf. I
403436.4126 0.8568 -5.3494 3 677.7097447 89502 303744926 734925 a-Alanine, conf. I
403475.4243 0.5571 -4.4375 3 321.4610339 89502 303562333 552234 a-Alanine, conf. I
403584.8994 1.5005 -5.2175 3 323.9248345 89502 303572038 561938 a-Alanine, conf. I
403598.4726 0.7479 -5.2764 3 283.5252333 89502 303551342 541242 a-Alanine, conf. I
403598.5229 0.7478 -5.2764 3 283.5252333 89502 303551442 541342 a-Alanine, conf. I
403604.4933 0.2312 -5.1842 3 314.0575333 89502 303552432 542332 a-Alanine, conf. I
403676.3934 0.8880 -5.3198 3 670.2360447 89502 303744826 734825 a-Alanine, conf. I
403676.3934 0.8880 -5.3198 3 670.2360447 89502 303744827 734826 a-Alanine, conf. I
403680.6586 0.2405 -4.3451 3 314.0575333 89502 303552431 542332 a-Alanine, conf. I
403718.0156 1.6973 -5.2227 3 363.9132363 89502 303602238 592138 a-Alanine, conf. I
403759.5033 1.5221 -5.0039 3 575.3550441 89502 303733539 723538 a-Alanine, conf. I
403759.5058 1.5221 -5.0039 3 575.3550441 89502 303733538 723537 a-Alanine, conf. I
403841.7262 0.1615 -5.1212 3 279.7553297 89502 303493019 482919 a-Alanine, conf. I
403841.7262 0.1615 -4.0759 3 279.7553297 89502 303493019 482920 a-Alanine, conf. I
403841.7262 0.1615 -4.0759 3 279.7553297 89502 303493020 482919 a-Alanine, conf. I
403841.7262 0.1615 -5.1212 3 279.7553297 89502 303493020 482920 a-Alanine, conf. I
403865.8160 0.6693 -4.4969 3 554.8087459 89502 303761957 752056 a-Alanine, conf. I
403865.8225 0.6693 -4.8844 3 554.8087459 89502 303762057 752056 a-Alanine, conf. I
403865.8306 0.6693 -4.8844 3 554.8087459 89502 303761957 751956 a-Alanine, conf. I
403865.8371 0.6693 -4.4969 3 554.8087459 89502 303762057 751956 a-Alanine, conf. I
403869.8549 0.6559 -4.8952 3 581.3718489 89502 303811269 801268 a-Alanine, conf. I
403869.8549 0.6559 -4.3684 3 581.3718489 89502 303811269 801368 a-Alanine, conf. I
403869.8549 0.6559 -4.3684 3 581.3718489 89502 303811369 801268 a-Alanine, conf. I
403869.8549 0.6559 -4.8952 3 581.3718489 89502 303811369 801368 a-Alanine, conf. I
403934.6265 0.9230 -5.2912 3 662.9292447 89502 303744727 734726 a-Alanine, conf. I
403934.6265 0.9230 -5.2912 3 662.9292447 89502 303744728 734727 a-Alanine, conf. I
403950.7078 0.8389 -4.8821 3 596.7348519 89502 30386 581 85 580 a-Alanine, conf. I
403950.7078 0.8389 -4.2805 3 596.7348519 89502 30386 581 85 680 a-Alanine, conf. I
403950.7078 0.8389 -4.2805 3 596.7348519 89502 30386 681 85 580 a-Alanine, conf. I
403950.7078 0.8389 -4.8821 3 596.7348519 89502 30386 681 85 680 a-Alanine, conf. I
404003.2464 0.1403 -5.0501 3 263.2535255 89502 3034238 4 4137 4 a-Alanine, conf. I
404003.2464 0.1403 -3.9018 3 263.2535255 89502 3034238 4 4137 5 a-Alanine, conf. I
404003.2464 0.1403 -3.9018 3 263.2535255 89502 3034238 5 4137 4 a-Alanine, conf. I
404003.2464 0.1403 -5.0501 3 263.2535255 89502 3034238 5 4137 5 a-Alanine, conf. I
404212.9540 0.9616 -5.2636 3 655.7903447 89502 303744628 734627 a-Alanine, conf. I
404212.9540 0.9616 -5.2636 3 655.7903447 89502 303744629 734628 a-Alanine, conf. I
404263.1201 1.3484 -4.8677 3 602.5414537 89502 30389 188 88 187 a-Alanine, conf. I
404263.1201 1.3484 -4.2368 3 602.5414537 89502 30389 188 88 287 a-Alanine, conf. I
404263.1201 1.3484 -4.2368 3 602.5414537 89502 30389 288 88 187 a-Alanine, conf. I
404263.1201 1.3484 -4.8677 3 602.5414537 89502 30389 288 88 287 a-Alanine, conf. I
404306.7430 0.1743 -5.1311 3 284.4153303 89502 303502921 492821 a-Alanine, conf. I
404306.7430 0.1743 -4.1071 3 284.4153303 89502 303502921 492822 a-Alanine, conf. I
404306.7430 0.1743 -4.1071 3 284.4153303 89502 303502922 492821 a-Alanine, conf. I
404306.7430 0.1743 -5.1311 3 284.4153303 89502 303502922 492822 a-Alanine, conf. I
404365.1438 0.4743 -5.4471 3 248.8325327 89502 30354 747 53 647 a-Alanine, conf. I
404365.1438 0.4743 -5.4471 3 248.8325327 89502 30354 847 53 747 a-Alanine, conf. I
404381.8476 0.6739 -4.8959 3 573.3326477 89502 303791564 781563 a-Alanine, conf. I
404381.8476 0.6739 -4.4160 3 573.3326477 89502 303791564 781663 a-Alanine, conf. I
404381.8476 0.6739 -4.4160 3 573.3326477 89502 303791664 781563 a-Alanine, conf. I
404381.8476 0.6739 -4.8959 3 573.3326477 89502 303791664 781663 a-Alanine, conf. I
404480.9970 0.2229 -4.2785 3 307.1980327 89502 303542530 532429 a-Alanine, conf. I
404484.6456 0.2233 -5.1729 3 307.1980327 89502 303542529 532429 a-Alanine, conf. I
404495.8907 0.2245 -5.1729 3 307.1975327 89502 303542530 532430 a-Alanine, conf. I
404499.5394 0.2249 -4.2784 3 307.1975327 89502 303542529 532430 a-Alanine, conf. I
404504.8151 0.7584 -4.8445 3 521.8901435 89502 303722548 712547 a-Alanine, conf. I
404513.4883 1.0035 -5.2368 3 648.8205447 89502 303744529 734528 a-Alanine, conf. I
404513.4883 1.0035 -5.2368 3 648.8205447 89502 303744530 734529 a-Alanine, conf. I
404588.7623 1.6124 -4.9845 3 570.3659441 89502 303733440 723439 a-Alanine, conf. I
404588.7902 1.6125 -4.9845 3 570.3659441 89502 303733439 723438 a-Alanine, conf. I
404593.8202 1.0068 -4.8198 3 508.1436429 89502 303712447 702446 a-Alanine, conf. I
404627.7946 1.3443 -4.9596 3 206.6999279 89502 303461631 451332 a-Alanine, conf. I
404629.0862 0.6830 -4.8921 3 593.3991507 89502 30384 876 83 875 a-Alanine, conf. I
404629.0862 0.6830 -4.3179 3 593.3991507 89502 30384 876 83 975 a-Alanine, conf. I
404629.0862 0.6830 -4.3179 3 593.3991507 89502 30384 976 83 875 a-Alanine, conf. I
404629.0862 0.6830 -4.8921 3 593.3991507 89502 30384 976 83 975 a-Alanine, conf. I
404645.8727 0.7506 -4.6527 3 531.8515441 89502 303732350 722449 a-Alanine, conf. I
404666.5469 0.1878 -4.1417 3 289.4720309 89502 303512824 502723 a-Alanine, conf. I
404666.5470 0.1878 -5.1412 3 289.4720309 89502 303512823 502723 a-Alanine, conf. I
404666.5473 0.1878 -5.1412 3 289.4720309 89502 303512824 502724 a-Alanine, conf. I
404666.5474 0.1878 -4.1417 3 289.4720309 89502 303512823 502724 a-Alanine, conf. I
404719.8281 0.1255 -5.0586 3 265.1813261 89502 3034337 6 4236 6 a-Alanine, conf. I
404719.8281 0.1255 -3.9199 3 265.1813261 89502 3034337 6 4236 7 a-Alanine, conf. I
404719.8281 0.1255 -3.9199 3 265.1813261 89502 3034337 7 4236 6 a-Alanine, conf. I
404719.8281 0.1255 -5.0586 3 265.1813261 89502 3034337 7 4236 7 a-Alanine, conf. I
404780.1144 1.1489 -5.2381 3 304.2077339 89502 303561640 551540 a-Alanine, conf. I
404807.5987 1.1406 -5.2380 3 304.2079339 89502 303561740 551640 a-Alanine, conf. I
404838.6679 1.0485 -5.2109 3 642.0210447 89502 303744430 734429 a-Alanine, conf. I
404838.6679 1.0485 -5.2109 3 642.0210447 89502 303744431 734430 a-Alanine, conf. I
404858.0347 22.5078 -5.6779 3 810.3226537 89502 303893356 883455 a-Alanine, conf. I
404859.1536 0.2146 -4.2253 3 300.8389321 89502 303532628 522527 a-Alanine, conf. I
404859.2833 0.2146 -5.1620 3 300.8389321 89502 303532627 522527 a-Alanine, conf. I
404859.7452 0.2147 -5.1620 3 300.8389321 89502 303532628 522528 a-Alanine, conf. I
404859.8749 0.2147 -4.2253 3 300.8389321 89502 303532627 522528 a-Alanine, conf. I
404875.3205 0.2016 -4.1806 3 294.9399315 89502 303522726 512625 a-Alanine, conf. I
404875.3239 0.2016 -5.1515 3 294.9399315 89502 303522725 512625 a-Alanine, conf. I
404875.3380 0.2016 -5.1515 3 294.9399315 89502 303522726 512626 a-Alanine, conf. I
404875.3415 0.2016 -4.1806 3 294.9399315 89502 303522725 512626 a-Alanine, conf. I
405030.5204 2.1418 -4.8863 3 535.2629435 89502 303722944 712943 a-Alanine, conf. I
405037.9604 0.6785 -4.4750 3 563.1707465 89502 303771859 761958 a-Alanine, conf. I
405037.9606 0.6785 -4.8915 3 563.1707465 89502 303771959 761958 a-Alanine, conf. I
405037.9609 0.6785 -4.8915 3 563.1707465 89502 303771859 761858 a-Alanine, conf. I
405037.9611 0.6785 -4.4750 3 563.1707465 89502 303771959 761858 a-Alanine, conf. I
405076.4608 0.6512 -4.8574 3 531.8515441 89502 303732450 722449 a-Alanine, conf. I
405167.8468 0.9435 -4.8824 3 601.8763525 89502 30387 483 86 482 a-Alanine, conf. I
405167.8468 0.9435 -4.2727 3 601.8763525 89502 30387 483 86 582 a-Alanine, conf. I
405167.8468 0.9435 -4.2727 3 601.8763525 89502 30387 583 86 482 a-Alanine, conf. I
405167.8468 0.9435 -4.8824 3 601.8763525 89502 30387 583 86 582 a-Alanine, conf. I
405188.5091 0.6582 -4.8983 3 588.0690495 89502 303821171 811170 a-Alanine, conf. I
405188.5091 0.6582 -4.3578 3 588.0690495 89502 303821171 811270 a-Alanine, conf. I
405188.5091 0.6582 -4.3578 3 588.0690495 89502 303821271 811170 a-Alanine, conf. I
405188.5091 0.6582 -4.8983 3 588.0690495 89502 303821271 811270 a-Alanine, conf. I
405191.3271 1.0967 -5.1858 3 635.3933447 89502 303744331 734330 a-Alanine, conf. I
405191.3271 1.0967 -5.1858 3 635.3933447 89502 303744332 734331 a-Alanine, conf. I
405267.0835 3.5838 -4.8052 3 499.0616423 89502 303702644 692643 a-Alanine, conf. I
405330.2766 0.6561 -5.2952 3 279.5920333 89502 303551243 541143 a-Alanine, conf. I
405330.2802 0.6561 -5.2952 3 279.5920333 89502 303551343 541243 a-Alanine, conf. I
405387.2178 1.5403 -4.8666 3 606.7908543 89502 30390 090 89 089 a-Alanine, conf. I
405387.2178 1.5403 -4.2294 3 606.7908543 89502 30390 090 89 189 a-Alanine, conf. I
405387.2178 1.5403 -4.2294 3 606.7908543 89502 30390 190 89 089 a-Alanine, conf. I
405387.2178 1.5403 -4.8666 3 606.7908543 89502 30390 190 89 189 a-Alanine, conf. I
405426.4808 0.5134 -5.4979 3 244.1159327 89502 30354 648 53 548 a-Alanine, conf. I
405426.4808 0.5134 -5.4979 3 244.1159327 89502 30354 748 53 648 a-Alanine, conf. I
405426.6786 0.1195 -5.0673 3 267.4611267 89502 3034436 8 4335 8 a-Alanine, conf. I
405426.6786 0.1195 -3.9391 3 267.4611267 89502 3034436 8 4335 9 a-Alanine, conf. I
405426.6786 0.1195 -3.9391 3 267.4611267 89502 3034436 9 4335 8 a-Alanine, conf. I
405426.6786 0.1195 -5.0673 3 267.4611267 89502 3034436 9 4335 9 a-Alanine, conf. I
405452.0165 0.6421 -4.8565 3 531.8246441 89502 303732350 722349 a-Alanine, conf. I
405466.4637 2.4057 -4.8854 3 535.2783435 89502 303722943 712942 a-Alanine, conf. I
405484.5776 0.6625 -4.5972 3 541.4433447 89502 303742252 732351 a-Alanine, conf. I
405486.9312 0.5065 -5.2913 3 158.1898255 89502 30342 933 41 834 a-Alanine, conf. I
405487.0491 0.5065 -5.2913 3 158.1898255 89502 303421033 41 734 a-Alanine, conf. I
405514.8922 0.6598 -4.8696 3 541.4433447 89502 303742352 732351 a-Alanine, conf. I
405539.1780 1.7159 -4.9655 3 565.5839441 89502 303733341 723340 a-Alanine, conf. I
405539.4602 1.7161 -4.9655 3 565.5839441 89502 303733340 723339 a-Alanine, conf. I
405545.1729 0.6581 -4.8695 3 541.4413447 89502 303742252 732251 a-Alanine, conf. I
405574.7875 1.1481 -5.1615 3 628.9390447 89502 303744232 734231 a-Alanine, conf. I
405574.7875 1.1481 -5.1615 3 628.9390447 89502 303744233 734232 a-Alanine, conf. I
405575.4876 0.6566 -4.5970 3 541.4413447 89502 303742352 732251 a-Alanine, conf. I
405598.6843 3.4059 -4.9187 3 237.8381297 89502 303491732 481633 a-Alanine, conf. I
405695.4015 0.6760 -4.9004 3 580.7201483 89502 303801466 791465 a-Alanine, conf. I
405695.4015 0.6760 -4.4026 3 580.7201483 89502 303801466 791565 a-Alanine, conf. I
405695.4015 0.6760 -4.4026 3 580.7201483 89502 303801566 791465 a-Alanine, conf. I
405695.4015 0.6760 -4.9004 3 580.7201483 89502 303801566 791565 a-Alanine, conf. I
405744.9480 5.9105 -4.7212 3 427.8538393 89502 303652442 642341 a-Alanine, conf. I
405799.1677 0.2089 -5.6582 3 152.3329237 89502 303391722 381425 a-Alanine, conf. I
405837.6751 0.8883 -5.2139 3 343.1305351 89502 303582335 572235 a-Alanine, conf. I
405882.6045 0.7178 -4.6497 3 531.8246441 89502 303732450 722349 a-Alanine, conf. I
405901.2440 0.7255 -4.8936 3 599.2123513 89502 30385 778 84 777 a-Alanine, conf. I
405901.2440 0.7255 -4.3094 3 599.2123513 89502 30385 778 84 877 a-Alanine, conf. I
405901.2440 0.7255 -4.3094 3 599.2123513 89502 30385 878 84 777 a-Alanine, conf. I
405901.2440 0.7255 -4.8936 3 599.2123513 89502 30385 878 84 877 a-Alanine, conf. I
405992.9770 1.2027 -5.1379 3 622.6601447 89502 303744133 734132 a-Alanine, conf. I
405992.9770 1.2027 -5.1379 3 622.6601447 89502 303744134 734133 a-Alanine, conf. I
406040.5214 1.6792 -5.2255 3 320.9232345 89502 303571839 561739 a-Alanine, conf. I
406120.2754 0.1210 -5.0762 3 270.0958273 89502 303453510 443410 a-Alanine, conf. I
406120.2754 0.1210 -3.9596 3 270.0958273 89502 303453510 443411 a-Alanine, conf. I
406120.2754 0.1210 -3.9596 3 270.0958273 89502 303453511 443410 a-Alanine, conf. I
406120.2754 0.1210 -5.0762 3 270.0958273 89502 303453511 443411 a-Alanine, conf. I
406123.1351 23.3401 -5.6007 3 773.3711525 89502 303873255 863354 a-Alanine, conf. I
406172.1342 0.3782 -5.4915 3 144.6414249 89502 30341 734 40 635 a-Alanine, conf. I
406172.1350 0.3782 -5.4915 3 144.6414249 89502 30341 834 40 535 a-Alanine, conf. I
406176.2687 9.0377 -4.9744 3 569.6748453 89502 303752649 742748 a-Alanine, conf. I
406245.5888 0.6721 -4.5582 3 550.6861453 89502 303752154 742253 a-Alanine, conf. I
406247.2675 0.6720 -4.8800 3 550.6861453 89502 303752254 742253 a-Alanine, conf. I
406249.1191 0.6719 -4.8800 3 550.6860453 89502 303752154 742153 a-Alanine, conf. I
406250.7978 0.6718 -4.5582 3 550.6860453 89502 303752254 742153 a-Alanine, conf. I
406273.4115 0.6864 -4.8978 3 571.2869471 89502 303781761 771760 a-Alanine, conf. I
406273.4115 0.6864 -4.4564 3 571.2869471 89502 303781761 771860 a-Alanine, conf. I
406273.4115 0.6864 -4.4564 3 571.2869471 89502 303781861 771760 a-Alanine, conf. I
406273.4115 0.6864 -4.8978 3 571.2869471 89502 303781861 771860 a-Alanine, conf. I
406294.0004 1.3755 -5.5788 3 169.8454249 89502 303411824 401525 a-Alanine, conf. I
406361.6383 1.0716 -4.8825 3 606.8063531 89502 30388 385 87 384 a-Alanine, conf. I
406361.6383 1.0716 -4.2651 3 606.8063531 89502 30388 385 87 484 a-Alanine, conf. I
406361.6383 1.0716 -4.2651 3 606.8063531 89502 30388 485 87 384 a-Alanine, conf. I
406361.6383 1.0716 -4.8825 3 606.8063531 89502 30388 485 87 484 a-Alanine, conf. I
406363.7952 1.8582 -4.7317 3 535.3829441 89502 303732449 722548 a-Alanine, conf. I
406415.9251 0.4746 -4.9822 3 220.0616285 89502 303471830 461531 a-Alanine, conf. I
406421.8902 0.5706 -5.5608 3 239.2622327 89502 30354 549 53 449 a-Alanine, conf. I
406421.8902 0.5706 -5.5608 3 239.2622327 89502 30354 649 53 549 a-Alanine, conf. I
406450.5898 1.2608 -5.1150 3 616.5587447 89502 303744034 734033 a-Alanine, conf. I
406450.5898 1.2608 -5.1150 3 616.5587447 89502 303744035 734034 a-Alanine, conf. I
406498.8418 0.6652 -4.9011 3 594.5549501 89502 303831073 821072 a-Alanine, conf. I
406498.8418 0.6652 -4.3480 3 594.5549501 89502 303831073 821172 a-Alanine, conf. I
406498.8418 0.6652 -4.3480 3 594.5549501 89502 303831173 821072 a-Alanine, conf. I
406498.8418 0.6652 -4.9011 3 594.5549501 89502 303831173 821172 a-Alanine, conf. I
406644.5161 1.8376 -4.9469 3 561.0187441 89502 303733242 723241 a-Alanine, conf. I
406647.0620 1.8396 -4.9469 3 561.0187441 89502 303733241 723240 a-Alanine, conf. I
406765.7446 1.4755 -5.2240 3 320.9328345 89502 303571939 561839 a-Alanine, conf. I
406770.6955 2.1457 -4.8693 3 531.6588435 89502 303722845 712844 a-Alanine, conf. I
406795.9200 0.1276 -5.0853 3 273.0885279 89502 303463412 453312 a-Alanine, conf. I
406795.9200 0.1276 -3.9814 3 273.0885279 89502 303463412 453313 a-Alanine, conf. I
406795.9200 0.1276 -3.9814 3 273.0885279 89502 303463413 453312 a-Alanine, conf. I
406795.9200 0.1276 -5.0853 3 273.0885279 89502 303463413 453313 a-Alanine, conf. I
406847.9591 3.7836 -4.8358 3 515.1490429 89502 303712744 702743 a-Alanine, conf. I
406894.4912 0.5807 -5.3170 3 275.4997333 89502 303551144 541044 a-Alanine, conf. I
406894.4914 0.5807 -5.3170 3 275.4997333 89502 303551244 541144 a-Alanine, conf. I
406953.3042 1.3229 -5.0928 3 610.6374447 89502 303743935 733934 a-Alanine, conf. I
406953.3042 1.3229 -5.0928 3 610.6374447 89502 303743936 733935 a-Alanine, conf. I
407015.8033 0.6768 -4.9045 3 587.8893489 89502 303811368 801367 a-Alanine, conf. I
407015.8033 0.6768 -4.3905 3 587.8893489 89502 303811368 801467 a-Alanine, conf. I
407015.8033 0.6768 -4.3905 3 587.8893489 89502 303811468 801367 a-Alanine, conf. I
407015.8033 0.6768 -4.9045 3 587.8893489 89502 303811468 801467 a-Alanine, conf. I
407119.1828 1.1995 -4.8469 3 525.1130435 89502 303722647 712646 a-Alanine, conf. I
407154.6302 0.7879 -4.8948 3 604.8159519 89502 30386 680 85 679 a-Alanine, conf. I
407154.6302 0.7879 -4.3013 3 604.8159519 89502 30386 680 85 779 a-Alanine, conf. I
407154.6302 0.7879 -4.3013 3 604.8159519 89502 30386 780 85 679 a-Alanine, conf. I
407154.6302 0.7879 -4.8948 3 604.8159519 89502 30386 780 85 779 a-Alanine, conf. I
407182.4314 0.3511 -5.1999 3 332.0221345 89502 303572335 562235 a-Alanine, conf. I
407189.8662 0.9043 -5.0861 3 182.2640267 89502 303441232 431133 a-Alanine, conf. I
407204.2795 0.6828 -4.5280 3 559.6218459 89502 303762056 752155 a-Alanine, conf. I
407204.3552 0.6828 -4.8890 3 559.6218459 89502 303762156 752155 a-Alanine, conf. I
407204.4456 0.6828 -4.8890 3 559.6218459 89502 303762056 752055 a-Alanine, conf. I
407204.5213 0.6828 -4.5280 3 559.6218459 89502 303762156 752055 a-Alanine, conf. I
407223.1737 0.8378 -5.7063 3 774.8665453 89502 303755916 745915 a-Alanine, conf. I
407223.1737 0.8378 -5.7063 3 774.8665453 89502 303755917 745916 a-Alanine, conf. I
407231.6143 0.8981 -5.0860 3 182.2640267 89502 303441332 431033 a-Alanine, conf. I
407274.4010 0.9986 -5.2495 3 300.6901339 89502 303561541 551441 a-Alanine, conf. I
407277.3688 0.9977 -5.2495 3 300.6902339 89502 303561641 551541 a-Alanine, conf. I
407350.8532 0.8198 -5.6640 3 765.7656453 89502 303755817 745816 a-Alanine, conf. I
407350.8532 0.8198 -5.6640 3 765.7656453 89502 303755818 745817 a-Alanine, conf. I
407359.1748 0.6411 -5.6413 3 234.2731327 89502 30354 450 53 350 a-Alanine, conf. I
407359.1748 0.6411 -5.6413 3 234.2731327 89502 30354 550 53 450 a-Alanine, conf. I
407447.3128 0.1371 -5.0947 3 276.4433285 89502 303473314 463214 a-Alanine, conf. I
407447.3128 0.1371 -4.0046 3 276.4433285 89502 303473314 463215 a-Alanine, conf. I
407447.3128 0.1371 -4.0046 3 276.4433285 89502 303473315 463214 a-Alanine, conf. I
407447.3128 0.1371 -5.0947 3 276.4433285 89502 303473315 463215 a-Alanine, conf. I
407487.0115 0.8075 -5.6235 3 756.8259453 89502 303755718 745717 a-Alanine, conf. I
407487.0115 0.8075 -5.6235 3 756.8259453 89502 303755719 745718 a-Alanine, conf. I
407508.0876 1.3895 -5.0713 3 604.8992447 89502 303743836 733835 a-Alanine, conf. I
407508.0876 1.3895 -5.0713 3 604.8992447 89502 303743837 733836 a-Alanine, conf. I
407516.1476 1.4185 -4.7892 3 496.8884423 89502 303702545 692544 a-Alanine, conf. I
407530.7580 1.2228 -4.8822 3 611.5234537 89502 30389 287 88 286 a-Alanine, conf. I
407530.7580 1.2228 -4.2578 3 611.5234537 89502 30389 287 88 386 a-Alanine, conf. I
407530.7580 1.2228 -4.2578 3 611.5234537 89502 30389 387 88 286 a-Alanine, conf. I
407530.7580 1.2228 -4.8822 3 611.5234537 89502 30389 387 88 386 a-Alanine, conf. I
407549.2152 0.6924 -4.9035 3 579.1679477 89502 303791663 781662 a-Alanine, conf. I
407549.2152 0.6924 -4.4401 3 579.1679477 89502 303791663 781762 a-Alanine, conf. I
407549.2152 0.6924 -4.4401 3 579.1679477 89502 303791763 781662 a-Alanine, conf. I
407549.2152 0.6924 -4.9035 3 579.1679477 89502 303791763 781762 a-Alanine, conf. I
407562.9454 0.9383 -4.8364 3 521.6393435 89502 303722448 712447 a-Alanine, conf. I
407632.2729 0.8012 -5.5847 3 748.0477453 89502 303755619 745618 a-Alanine, conf. I
407632.2729 0.8012 -5.5847 3 748.0477453 89502 303755620 745619 a-Alanine, conf. I
407771.8899 0.2492 -4.3706 3 324.3851339 89502 303562433 552332 a-Alanine, conf. I
407787.3263 0.8008 -5.5475 3 739.4315453 89502 303755520 745519 a-Alanine, conf. I
407787.3263 0.8008 -5.5475 3 739.4315453 89502 303755521 745520 a-Alanine, conf. I
407797.3559 0.6806 -4.9034 3 600.8304507 89502 30384 975 83 974 a-Alanine, conf. I
407797.3559 0.6806 -4.3389 3 600.8304507 89502 30384 975 831074 a-Alanine, conf. I
407797.3559 0.6806 -4.3389 3 600.8304507 89502 303841075 83 974 a-Alanine, conf. I
407797.3559 0.6806 -4.9034 3 600.8304507 89502 303841075 831074 a-Alanine, conf. I
407804.9896 1.8068 -4.8552 3 528.3097435 89502 303722746 712745 a-Alanine, conf. I
407933.2561 0.9993 -5.2206 3 354.2967357 89502 303592336 582236 a-Alanine, conf. I
407936.6321 0.2339 -5.1892 3 324.3851339 89502 303562432 552332 a-Alanine, conf. I
407951.8223 1.9835 -4.9287 3 556.6832441 89502 303733143 723142 a-Alanine, conf. I
407952.9342 0.8063 -5.5117 3 730.9778453 89502 303755421 745420 a-Alanine, conf. I
407952.9342 0.8063 -5.5117 3 730.9778453 89502 303755422 745421 a-Alanine, conf. I
407966.6724 0.1868 -5.0356 3 267.6949249 89502 3034140 1 4039 1 a-Alanine, conf. I
407966.6724 0.1868 -3.8740 3 267.6949249 89502 3034140 1 4039 2 a-Alanine, conf. I
407966.6724 0.1868 -3.8740 3 267.6949249 89502 3034140 2 4039 1 a-Alanine, conf. I
407966.6724 0.1868 -5.0356 3 267.6949249 89502 3034140 2 4039 2 a-Alanine, conf. I
407972.0578 1.9984 -4.9286 3 556.6838441 89502 303733142 723141 a-Alanine, conf. I
407979.1693 1.3057 -4.9400 3 217.7164285 89502 303471731 461432 a-Alanine, conf. I
408065.9340 0.1481 -5.1042 3 280.1649291 89502 303483216 473116 a-Alanine, conf. I
408065.9340 0.1481 -4.0296 3 280.1649291 89502 303483216 473117 a-Alanine, conf. I
408065.9340 0.1481 -4.0296 3 280.1649291 89502 303483217 473116 a-Alanine, conf. I
408065.9340 0.1481 -5.1042 3 280.1649291 89502 303483217 473117 a-Alanine, conf. I
408087.9722 23.0653 -5.5143 3 737.2825513 89502 303853154 843253 a-Alanine, conf. I
408123.6335 1.4615 -5.0504 3 599.3477447 89502 303743737 733736 a-Alanine, conf. I
408123.6335 1.4615 -5.0504 3 599.3477447 89502 303743738 733737 a-Alanine, conf. I
408129.9424 0.8175 -5.4773 3 722.6871453 89502 303755322 745321 a-Alanine, conf. I
408129.9424 0.8175 -5.4773 3 722.6871453 89502 303755323 745322 a-Alanine, conf. I
408302.2553 0.6928 -4.5034 3 568.2802465 89502 303771958 762057 a-Alanine, conf. I
408302.2581 0.6928 -4.8970 3 568.2802465 89502 303772058 762057 a-Alanine, conf. I
408302.2617 0.6928 -4.8970 3 568.2802465 89502 303771958 761957 a-Alanine, conf. I
408302.2646 0.6928 -4.5034 3 568.2802465 89502 303772058 761957 a-Alanine, conf. I
408319.2928 0.8340 -5.4440 3 714.5600453 89502 303755223 745222 a-Alanine, conf. I
408319.2928 0.8340 -5.4440 3 714.5600453 89502 303755224 745223 a-Alanine, conf. I
408321.6020 0.5247 -5.3423 3 271.2542333 89502 303551045 54 945 a-Alanine, conf. I
408321.6020 0.5247 -5.3423 3 271.2542333 89502 303551145 541045 a-Alanine, conf. I
408336.2410 0.2437 -5.1884 3 324.3663339 89502 303562433 552333 a-Alanine, conf. I
408336.3901 0.6774 -4.9082 3 594.8435495 89502 303821270 811269 a-Alanine, conf. I
408336.3901 0.6774 -4.3795 3 594.8435495 89502 303821270 811369 a-Alanine, conf. I
408336.3901 0.6774 -4.3795 3 594.8435495 89502 303821370 811269 a-Alanine, conf. I
408336.3901 0.6774 -4.9082 3 594.8435495 89502 303821370 811369 a-Alanine, conf. I
408387.3932 0.8726 -4.8956 3 610.2092525 89502 30387 582 86 581 a-Alanine, conf. I
408387.3932 0.8726 -4.2935 3 610.2092525 89502 30387 582 86 681 a-Alanine, conf. I
408387.3932 0.8726 -4.2935 3 610.2092525 89502 30387 682 86 581 a-Alanine, conf. I
408387.3932 0.8726 -4.8956 3 610.2092525 89502 30387 682 86 681 a-Alanine, conf. I
408500.9833 0.2673 -4.3693 3 324.3663339 89502 303562432 552333 a-Alanine, conf. I
408522.0376 0.8556 -5.4120 3 706.5971453 89502 303755124 745123 a-Alanine, conf. I
408522.0376 0.8556 -5.4120 3 706.5971453 89502 303755125 745124 a-Alanine, conf. I
408640.1204 0.1601 -5.1139 3 284.2593297 89502 303493118 483018 a-Alanine, conf. I
408640.1204 0.1601 -4.0566 3 284.2593297 89502 303493118 483019 a-Alanine, conf. I
408640.1204 0.1601 -4.0566 3 284.2593297 89502 303493119 483018 a-Alanine, conf. I
408640.1204 0.1601 -5.1139 3 284.2593297 89502 303493119 483019 a-Alanine, conf. I
408674.0036 1.3969 -4.8816 3 616.0262543 89502 30390 189 89 188 a-Alanine, conf. I
408674.0036 1.3969 -4.2506 3 616.0262543 89502 30390 189 89 288 a-Alanine, conf. I
408674.0036 1.3969 -4.2506 3 616.0262543 89502 30390 289 89 188 a-Alanine, conf. I
408674.0036 1.3969 -4.8816 3 616.0262543 89502 30390 289 89 288 a-Alanine, conf. I
408692.7243 0.1577 -5.0437 3 269.1109255 89502 3034239 3 4138 3 a-Alanine, conf. I
408692.7243 0.1577 -3.8906 3 269.1109255 89502 3034239 3 4138 4 a-Alanine, conf. I
408692.7243 0.1577 -3.8906 3 269.1109255 89502 3034239 4 4138 3 a-Alanine, conf. I
408692.7243 0.1577 -5.0437 3 269.1109255 89502 3034239 4 4138 4 a-Alanine, conf. I
408739.3564 0.8819 -5.3810 3 698.7991453 89502 303755025 745024 a-Alanine, conf. I
408739.3564 0.8819 -5.3810 3 698.7991453 89502 303755026 745025 a-Alanine, conf. I
408811.0114 1.5401 -5.0301 3 593.9872447 89502 303743639 733638 a-Alanine, conf. I
408811.0119 1.5401 -5.0301 3 593.9872447 89502 303743638 733637 a-Alanine, conf. I
408849.7167 0.6962 -4.9087 3 586.8213483 89502 303801565 791564 a-Alanine, conf. I
408849.7167 0.6962 -4.4259 3 586.8213483 89502 303801565 791664 a-Alanine, conf. I
408849.7167 0.6962 -4.4259 3 586.8213483 89502 303801665 791564 a-Alanine, conf. I
408849.7167 0.6962 -4.9087 3 586.8213483 89502 303801665 791664 a-Alanine, conf. I
408897.4332 0.9551 -5.2100 3 340.0998351 89502 303582237 572137 a-Alanine, conf. I
408917.4097 3.2367 -4.8645 3 531.7492435 89502 303722844 712843 a-Alanine, conf. I
408922.5262 0.7196 -4.8571 3 535.3829441 89502 303732549 722548 a-Alanine, conf. I
408951.6936 1.4417 -5.2156 3 337.3869351 89502 303582138 572038 a-Alanine, conf. I
408972.5770 0.9125 -5.3511 3 691.1669453 89502 303754926 744925 a-Alanine, conf. I
408972.5770 0.9125 -5.3511 3 691.1669453 89502 303754927 744926 a-Alanine, conf. I
409081.1619 0.7088 -4.9055 3 606.8960513 89502 30385 877 84 876 a-Alanine, conf. I
409081.1619 0.7088 -4.3303 3 606.8960513 89502 30385 877 84 976 a-Alanine, conf. I
409081.1619 0.7088 -4.3303 3 606.8960513 89502 30385 977 84 876 a-Alanine, conf. I
409081.1619 0.7088 -4.9055 3 606.8960513 89502 30385 977 84 976 a-Alanine, conf. I
409109.7509 0.7114 -4.6473 3 545.3634447 89502 303742351 732450 a-Alanine, conf. I
409153.6324 0.1727 -5.1238 3 288.7336303 89502 303503020 492920 a-Alanine, conf. I
409153.6324 0.1727 -4.0860 3 288.7336303 89502 303503020 492921 a-Alanine, conf. I
409153.6324 0.1727 -4.0860 3 288.7336303 89502 303503021 492920 a-Alanine, conf. I
409153.6324 0.1727 -5.1238 3 288.7336303 89502 303503021 492921 a-Alanine, conf. I
409223.2009 0.9470 -5.3221 3 683.7012453 89502 303754827 744826 a-Alanine, conf. I
409223.2009 0.9470 -5.3221 3 683.7012453 89502 303754828 744827 a-Alanine, conf. I
409319.1397 2.1994 -5.2256 3 334.4673351 89502 303581939 571839 a-Alanine, conf. I
409335.7964 0.6720 -4.8705 3 545.3634447 89502 303742451 732450 a-Alanine, conf. I
409361.6753 1.1799 -5.6620 3 162.0818243 89502 303401823 391524 a-Alanine, conf. I
409365.0809 0.9439 -4.4736 3 332.0221345 89502 303572334 562235 a-Alanine, conf. I
409378.7472 0.2318 -4.2975 3 317.2587333 89502 303552531 542430 a-Alanine, conf. I
409387.4251 0.2327 -5.1768 3 317.2587333 89502 303552530 542430 a-Alanine, conf. I
409412.7947 0.1374 -5.0520 3 270.8755261 89502 3034338 5 4237 5 a-Alanine, conf. I
409412.7947 0.1374 -3.9081 3 270.8755261 89502 3034338 5 4237 6 a-Alanine, conf. I
409412.7947 0.1374 -3.9081 3 270.8755261 89502 3034338 6 4237 5 a-Alanine, conf. I
409412.7947 0.1374 -5.0520 3 270.8755261 89502 3034338 6 4237 6 a-Alanine, conf. I
409412.9292 0.2353 -5.1767 3 317.2576333 89502 303552531 542431 a-Alanine, conf. I
409419.8102 0.8738 -5.2632 3 296.9878339 89502 303561442 551342 a-Alanine, conf. I
409420.0826 0.8737 -5.2632 3 296.9878339 89502 303561542 551442 a-Alanine, conf. I
409421.6070 0.2363 -4.2974 3 317.2576333 89502 303552530 542431 a-Alanine, conf. I
409472.4778 4.4405 -4.8303 3 552.4374447 89502 303742549 732648 a-Alanine, conf. I
409489.2831 0.7020 -4.4828 3 576.6813471 89502 303781860 771959 a-Alanine, conf. I
409489.2832 0.7020 -4.9042 3 576.6813471 89502 303781960 771959 a-Alanine, conf. I
409489.2833 0.7020 -4.9042 3 576.6813471 89502 303781860 771859 a-Alanine, conf. I
409489.2834 0.7020 -4.4828 3 576.6813471 89502 303781960 771859 a-Alanine, conf. I
409492.9339 0.9853 -5.2941 3 676.4030453 89502 303754728 744727 a-Alanine, conf. I
409492.9339 0.9853 -5.2941 3 676.4030453 89502 303754729 744728 a-Alanine, conf. I
409510.7917 2.1487 -4.9107 3 552.5948441 89502 303733044 723043 a-Alanine, conf. I
409540.3389 0.6635 -4.8700 3 545.3490447 89502 303742351 732350 a-Alanine, conf. I
409583.3345 0.1861 -5.1339 3 293.5972309 89502 303512922 502822 a-Alanine, conf. I
409583.3345 0.1861 -4.1182 3 293.5972309 89502 303512922 502823 a-Alanine, conf. I
409583.3345 0.1861 -4.1182 3 293.5972309 89502 303512923 502822 a-Alanine, conf. I
409583.3345 0.1861 -5.1339 3 293.5972309 89502 303512923 502823 a-Alanine, conf. I
409584.6679 1.6272 -5.0103 3 588.8230447 89502 303743540 733539 a-Alanine, conf. I
409584.6741 1.6272 -5.0103 3 588.8230447 89502 303743539 733538 a-Alanine, conf. I
409597.9063 0.9808 -4.8962 3 615.3913531 89502 30388 484 87 483 a-Alanine, conf. I
409597.9063 0.9808 -4.2861 3 615.3913531 89502 30388 484 87 583 a-Alanine, conf. I
409597.9063 0.9808 -4.2861 3 615.3913531 89502 30388 584 87 483 a-Alanine, conf. I
409597.9063 0.9808 -4.8962 3 615.3913531 89502 30388 584 87 583 a-Alanine, conf. I
409634.1970 0.4919 -5.3721 3 266.8600333 89502 30355 946 54 846 a-Alanine, conf. I
409634.1970 0.4919 -5.3721 3 266.8600333 89502 303551046 54 946 a-Alanine, conf. I
409649.9128 2.2427 -4.9104 3 552.5993441 89502 303733043 723042 a-Alanine, conf. I
409651.9803 0.6802 -4.9115 3 601.5846501 89502 303831172 821171 a-Alanine, conf. I
409651.9803 0.6802 -4.3694 3 601.5846501 89502 303831172 821271 a-Alanine, conf. I
409651.9803 0.6802 -4.3694 3 601.5846501 89502 303831272 821171 a-Alanine, conf. I
409651.9803 0.6802 -4.9115 3 601.5846501 89502 303831272 821271 a-Alanine, conf. I
409744.6189 4.7387 -4.7723 3 293.0911327 89502 303542034 531935 a-Alanine, conf. I
409766.3844 0.6806 -4.6457 3 545.3490447 89502 303742451 732350 a-Alanine, conf. I
409783.7247 1.0270 -5.2670 3 669.2734453 89502 303754629 744628 a-Alanine, conf. I
409783.7247 1.0270 -5.2670 3 669.2734453 89502 303754630 744629 a-Alanine, conf. I
409790.2728 1.5931 -4.8808 3 620.3130549 89502 30391 091 90 090 a-Alanine, conf. I
409790.2728 1.5931 -4.2434 3 620.3130549 89502 30391 091 90 190 a-Alanine, conf. I
409790.2728 1.5931 -4.2434 3 620.3130549 89502 30391 191 90 090 a-Alanine, conf. I
409790.2728 1.5931 -4.8808 3 620.3130549 89502 30391 191 90 190 a-Alanine, conf. I
409820.9006 0.6851 -4.5979 3 554.9698453 89502 303752253 742352 a-Alanine, conf. I
409833.5282 1.3555 -5.2320 3 317.7097345 89502 303571740 561640 a-Alanine, conf. I
409835.8836 0.6839 -4.8825 3 554.9698453 89502 303752353 742352 a-Alanine, conf. I
409851.2153 0.6830 -4.8825 3 554.9688453 89502 303752253 742252 a-Alanine, conf. I
409866.1983 0.6821 -4.5978 3 554.9688453 89502 303752353 742252 a-Alanine, conf. I
409895.2156 0.2001 -4.1540 3 298.8621315 89502 303522825 512724 a-Alanine, conf. I
409895.2159 0.2001 -5.1442 3 298.8621315 89502 303522824 512724 a-Alanine, conf. I
409895.2168 0.2001 -5.1442 3 298.8621315 89502 303522825 512725 a-Alanine, conf. I
409895.2171 0.2001 -4.1540 3 298.8621315 89502 303522824 512725 a-Alanine, conf. I
409922.4970 0.2267 -4.2412 3 310.6654327 89502 303542629 532528 a-Alanine, conf. I
409922.8345 0.2267 -5.1655 3 310.6654327 89502 303542628 532528 a-Alanine, conf. I
409923.9878 0.2269 -5.1655 3 310.6654327 89502 303542629 532529 a-Alanine, conf. I
409924.3252 0.2269 -4.2412 3 310.6654327 89502 303542628 532529 a-Alanine, conf. I
409941.5777 1.3224 -5.2317 3 317.7109345 89502 303571840 561740 a-Alanine, conf. I
409979.9962 12.3656 -5.0820 3 601.4978465 89502 303772750 762849 a-Alanine, conf. I
410037.0219 0.2142 -4.1944 3 304.5442321 89502 303532727 522626 a-Alanine, conf. I
410037.0318 0.2142 -5.1547 3 304.5442321 89502 303532726 522626 a-Alanine, conf. I
410037.0703 0.2142 -5.1547 3 304.5442321 89502 303532727 522627 a-Alanine, conf. I
410037.0802 0.2142 -4.1944 3 304.5442321 89502 303532726 522627 a-Alanine, conf. I
410050.8826 0.7924 -5.2252 3 365.7196363 89502 303602337 592237 a-Alanine, conf. I
410097.8122 1.0720 -5.2407 3 662.3136453 89502 303754530 744529 a-Alanine, conf. I
410097.8122 1.0720 -5.2407 3 662.3136453 89502 303754531 744530 a-Alanine, conf. I
410123.5282 0.6225 -5.2138 3 168.5837261 89502 303431033 42 934 a-Alanine, conf. I
410124.2441 0.6224 -5.2138 3 168.5837261 89502 303431133 42 834 a-Alanine, conf. I
410124.6627 0.1265 -5.0606 3 272.9909267 89502 3034437 7 4336 7 a-Alanine, conf. I
410124.6627 0.1265 -3.9266 3 272.9909267 89502 3034437 7 4336 8 a-Alanine, conf. I
410124.6627 0.1265 -3.9266 3 272.9909267 89502 3034437 8 4336 7 a-Alanine, conf. I
410124.6627 0.1265 -5.0606 3 272.9909267 89502 3034437 8 4336 8 a-Alanine, conf. I
410135.1483 21.5816 -5.4170 3 702.0543501 89502 303833053 823152 a-Alanine, conf. I
410163.7522 0.6981 -4.9135 3 594.2526489 89502 303811467 801466 a-Alanine, conf. I
410163.7522 0.6981 -4.4131 3 594.2526489 89502 303811467 801566 a-Alanine, conf. I
410163.7522 0.6981 -4.4131 3 594.2526489 89502 303811567 801466 a-Alanine, conf. I
410163.7522 0.6981 -4.9135 3 594.2526489 89502 303811567 801566 a-Alanine, conf. I
410347.8281 0.7538 -4.9072 3 612.7517519 89502 30386 779 85 778 a-Alanine, conf. I
410347.8281 0.7538 -4.3222 3 612.7517519 89502 30386 779 85 878 a-Alanine, conf. I
410347.8281 0.7538 -4.3222 3 612.7517519 89502 30386 879 85 778 a-Alanine, conf. I
410347.8281 0.7538 -4.9072 3 612.7517519 89502 30386 879 85 878 a-Alanine, conf. I
410408.9562 1.1061 -5.0367 3 193.0101273 89502 303451332 441233 a-Alanine, conf. I
410437.7862 1.1201 -5.2152 3 655.5249453 89502 303754431 744430 a-Alanine, conf. I
410437.7862 1.1201 -5.2152 3 655.5249453 89502 303754432 744431 a-Alanine, conf. I
410464.0334 1.7256 -4.9911 3 583.8615447 89502 303743441 733440 a-Alanine, conf. I
410464.0998 1.7256 -4.9911 3 583.8615447 89502 303743440 733439 a-Alanine, conf. I
410587.1651 1.0788 -5.0364 3 193.0100273 89502 303451432 441133 a-Alanine, conf. I
410618.5133 3.4646 -5.2326 3 361.8244363 89502 303602139 592039 a-Alanine, conf. I
410627.2041 0.6960 -4.5620 3 564.2370459 89502 303762155 752254 a-Alanine, conf. I
410627.9949 0.6959 -4.8929 3 564.2370459 89502 303762255 752254 a-Alanine, conf. I
410628.8828 0.6959 -4.8929 3 564.2370459 89502 303762155 752154 a-Alanine, conf. I
410629.6736 0.6959 -4.5620 3 564.2370459 89502 303762255 752154 a-Alanine, conf. I
410733.5618 0.7097 -4.9107 3 584.8387477 89502 303791762 781761 a-Alanine, conf. I
410733.5618 0.7097 -4.4652 3 584.8387477 89502 303791762 781861 a-Alanine, conf. I
410733.5618 0.7097 -4.4652 3 584.8387477 89502 303791862 781761 a-Alanine, conf. I
410733.5618 0.7097 -4.9107 3 584.8387477 89502 303791862 781861 a-Alanine, conf. I
410760.3103 5.6372 -4.6992 3 415.4094387 89502 303642441 632340 a-Alanine, conf. I
410784.7220 1.1128 -4.8965 3 620.3610537 89502 30389 386 88 385 a-Alanine, conf. I
410784.7220 1.1128 -4.2788 3 620.3610537 89502 30389 386 88 485 a-Alanine, conf. I
410784.7220 1.1128 -4.2788 3 620.3610537 89502 30389 486 88 385 a-Alanine, conf. I
410784.7220 1.1128 -4.8965 3 620.3610537 89502 30389 486 88 485 a-Alanine, conf. I
410806.6649 1.1714 -5.1905 3 648.9090453 89502 303754332 744331 a-Alanine, conf. I
410806.6649 1.1714 -5.1905 3 648.9090453 89502 303754333 744332 a-Alanine, conf. I
410822.0088 0.8209 -4.8523 3 535.2342441 89502 303732449 722448 a-Alanine, conf. I
410825.3848 0.1241 -5.0694 3 275.4594273 89502 3034536 9 4435 9 a-Alanine, conf. I
410825.3848 0.1241 -3.9462 3 275.4594273 89502 3034536 9 443510 a-Alanine, conf. I
410825.3848 0.1241 -3.9462 3 275.4594273 89502 303453610 4435 9 a-Alanine, conf. I
410825.3848 0.1241 -5.0694 3 275.4594273 89502 303453610 443510 a-Alanine, conf. I
410827.5931 2.9626 -5.2294 3 348.1207357 89502 303592039 581939 a-Alanine, conf. I
410849.5729 0.4855 -5.4071 3 262.3207333 89502 30355 847 54 747 a-Alanine, conf. I
410849.5729 0.4855 -5.4071 3 262.3207333 89502 30355 947 54 847 a-Alanine, conf. I
410958.4455 0.6881 -4.9145 3 608.1142507 89502 303841074 831073 a-Alanine, conf. I
410958.4455 0.6881 -4.3601 3 608.1142507 89502 303841074 831173 a-Alanine, conf. I
410958.4455 0.6881 -4.3601 3 608.1142507 89502 303841174 831073 a-Alanine, conf. I
410958.4455 0.6881 -4.9145 3 608.1142507 89502 303841174 831173 a-Alanine, conf. I
411207.9950 1.2260 -5.1666 3 642.4675453 89502 303754233 744232 a-Alanine, conf. I
411207.9950 1.2260 -5.1666 3 642.4675453 89502 303754234 744233 a-Alanine, conf. I
411288.9486 2.2713 -4.8930 3 548.7733441 89502 303732945 722944 a-Alanine, conf. I
411312.9026 0.7663 -5.2792 3 293.1123339 89502 303561343 551243 a-Alanine, conf. I
411312.9240 0.7663 -5.2792 3 293.1123339 89502 303561443 551343 a-Alanine, conf. I
411366.7151 0.4367 -5.3847 3 154.8620255 89502 30342 834 41 735 a-Alanine, conf. I
411366.7219 0.4367 -5.3847 3 154.8620255 89502 30342 934 41 635 a-Alanine, conf. I
411473.3603 2.7533 -5.2305 3 375.5212369 89502 303612239 602139 a-Alanine, conf. I
411476.1486 1.8393 -4.9723 3 579.1112447 89502 303743342 733341 a-Alanine, conf. I
411476.7894 1.8398 -4.9723 3 579.1112447 89502 303743341 733340 a-Alanine, conf. I
411483.0652 0.6987 -4.9178 3 601.4659495 89502 303821369 811368 a-Alanine, conf. I
411483.0652 0.6987 -4.4016 3 601.4659495 89502 303821369 811468 a-Alanine, conf. I
411483.0652 0.6987 -4.4016 3 601.4659495 89502 303821469 811368 a-Alanine, conf. I
411483.0652 0.6987 -4.9178 3 601.4659495 89502 303821469 811468 a-Alanine, conf. I
411501.3137 0.3867 -5.6225 3 141.1358249 89502 30341 635 40 536 a-Alanine, conf. I
411501.3137 0.3867 -5.6225 3 141.1358249 89502 30341 735 40 436 a-Alanine, conf. I
411511.0566 0.1282 -5.0785 3 278.2841279 89502 303463511 453411 a-Alanine, conf. I
411511.0566 0.1282 -3.9671 3 278.2841279 89502 303463511 453412 a-Alanine, conf. I
411511.0566 0.1282 -3.9671 3 278.2841279 89502 303463512 453411 a-Alanine, conf. I
411511.0566 0.1282 -5.0785 3 278.2841279 89502 303463512 453412 a-Alanine, conf. I
411516.9000 1.6110 -5.2214 3 334.5010351 89502 303582039 571939 a-Alanine, conf. I
411554.4632 19.0617 -5.3095 3 667.6833489 89502 303812952 803051 a-Alanine, conf. I
411595.2733 0.8192 -4.9086 3 618.3971525 89502 30387 681 86 680 a-Alanine, conf. I
411595.2733 0.8192 -4.3145 3 618.3971525 89502 30387 681 86 780 a-Alanine, conf. I
411595.2733 0.8192 -4.3145 3 618.3971525 89502 30387 781 86 680 a-Alanine, conf. I
411595.2733 0.8192 -4.9086 3 618.3971525 89502 30387 781 86 780 a-Alanine, conf. I
411621.6700 0.7067 -4.5338 3 573.2047465 89502 303772057 762156 a-Alanine, conf. I
411621.7042 0.7067 -4.9020 3 573.2047465 89502 303772157 762156 a-Alanine, conf. I
411621.7457 0.7067 -4.9020 3 573.2047465 89502 303772057 762056 a-Alanine, conf. I
411621.7799 0.7067 -4.5338 3 573.2047465 89502 303772157 762056 a-Alanine, conf. I
411645.9851 1.2839 -5.1434 3 636.2025453 89502 303754134 744133 a-Alanine, conf. I
411645.9851 1.2839 -5.1434 3 636.2025453 89502 303754135 744134 a-Alanine, conf. I
411676.4094 15.8490 -5.1959 3 634.1659477 89502 303792851 782950 a-Alanine, conf. I
411744.8922 2.4991 -4.9404 3 226.3686291 89502 303481632 471533 a-Alanine, conf. I
411818.4327 1.2857 -4.7149 3 549.0231447 89502 303742450 732549 a-Alanine, conf. I
411897.1333 0.3462 -4.3985 3 334.9195345 89502 303572434 562333 a-Alanine, conf. I
411946.5372 1.2681 -4.8964 3 625.1171543 89502 30390 288 89 287 a-Alanine, conf. I
411946.5372 1.2681 -4.2718 3 625.1171543 89502 30390 288 89 387 a-Alanine, conf. I
411946.5372 1.2681 -4.2718 3 625.1171543 89502 30390 388 89 287 a-Alanine, conf. I
411946.5372 1.2681 -4.8964 3 625.1171543 89502 30390 388 89 387 a-Alanine, conf. I
411981.3222 0.5054 -5.4490 3 257.6395333 89502 30355 748 54 648 a-Alanine, conf. I
411981.3222 0.5054 -5.4490 3 257.6395333 89502 30355 848 54 748 a-Alanine, conf. I
412000.1493 0.6919 -4.8031 3 510.4817429 89502 303712546 702545 a-Alanine, conf. I
412014.2149 0.7154 -4.9166 3 592.7623483 89502 303801664 791663 a-Alanine, conf. I
412014.2149 0.7154 -4.4498 3 592.7623483 89502 303801664 791763 a-Alanine, conf. I
412014.2149 0.7154 -4.4498 3 592.7623483 89502 303801764 791663 a-Alanine, conf. I
412014.2149 0.7154 -4.9166 3 592.7623483 89502 303801764 791763 a-Alanine, conf. I
412021.1590 3.0183 -4.7256 3 521.6393435 89502 303722548 712447 a-Alanine, conf. I
412044.2484 1.0488 -4.8582 3 538.6930441 89502 303732648 722647 a-Alanine, conf. I
412087.7695 2.7500 -4.8913 3 548.8032441 89502 303732944 722943 a-Alanine, conf. I
412110.1640 4.2522 -4.7389 3 508.1436429 89502 303712547 702446 a-Alanine, conf. I
412125.6839 1.3457 -5.1208 3 630.1164453 89502 303754035 744034 a-Alanine, conf. I
412125.6839 1.3457 -5.1208 3 630.1164453 89502 303754036 744035 a-Alanine, conf. I
412176.4796 0.1364 -5.0878 3 281.4684285 89502 303473413 463313 a-Alanine, conf. I
412176.4796 0.1364 -3.9894 3 281.4684285 89502 303473413 463314 a-Alanine, conf. I
412176.4796 0.1364 -3.9894 3 281.4684285 89502 303473414 463313 a-Alanine, conf. I
412176.4796 0.1364 -5.0878 3 281.4684285 89502 303473414 463314 a-Alanine, conf. I
412189.3837 0.3707 -5.6317 3 159.6355243 89502 303401723 391426 a-Alanine, conf. I
412195.4050 0.4700 -5.2047 3 342.7834351 89502 303582336 572236 a-Alanine, conf. I
412242.8428 0.2738 -5.1948 3 334.9195345 89502 303572433 562333 a-Alanine, conf. I
412252.4243 0.7051 -4.9171 3 614.4331513 89502 30385 976 84 975 a-Alanine, conf. I
412252.4243 0.7051 -4.3514 3 614.4331513 89502 30385 976 841075 a-Alanine, conf. I
412252.4243 0.7051 -4.3514 3 614.4331513 89502 303851076 84 975 a-Alanine, conf. I
412252.4243 0.7051 -4.9171 3 614.4331513 89502 303851076 841075 a-Alanine, conf. I
412652.6892 0.2124 -5.0298 3 273.8730249 89502 3034141 0 4040 0 a-Alanine, conf. I
412652.6892 0.2124 -3.8642 3 273.8730249 89502 3034141 0 4040 1 a-Alanine, conf. I
412652.6892 0.2124 -3.8642 3 273.8730249 89502 3034141 1 4040 0 a-Alanine, conf. I
412652.6892 0.2124 -5.0298 3 273.8730249 89502 3034141 1 4040 1 a-Alanine, conf. I
412653.2271 1.4117 -5.0990 3 624.2119453 89502 303753936 743935 a-Alanine, conf. I
412653.2271 1.4117 -5.0990 3 624.2119453 89502 303753937 743936 a-Alanine, conf. I
412659.4841 1.9744 -4.9539 3 574.5829447 89502 303743243 733242 a-Alanine, conf. I
412664.9844 1.9788 -4.9539 3 574.5830447 89502 303743242 733241 a-Alanine, conf. I
412686.1314 0.8566 -5.6994 3 788.4500459 89502 303765917 755916 a-Alanine, conf. I
412686.1314 0.8566 -5.6994 3 788.4500459 89502 303765918 755917 a-Alanine, conf. I
412694.9635 3.1725 -4.8078 3 512.5798429 89502 303712645 702644 a-Alanine, conf. I
412695.7669 1.1645 -5.2413 3 314.2753345 89502 303571641 561541 a-Alanine, conf. I
412708.9585 1.1602 -5.2413 3 314.2755345 89502 303571741 561641 a-Alanine, conf. I
412741.5757 0.7168 -4.5107 3 581.8997471 89502 303781959 772058 a-Alanine, conf. I
412741.5769 0.7168 -4.9101 3 581.8997471 89502 303782059 772058 a-Alanine, conf. I
412741.5785 0.7168 -4.9101 3 581.8997471 89502 303781959 771958 a-Alanine, conf. I
412741.5798 0.7168 -4.5107 3 581.8997471 89502 303782059 771958 a-Alanine, conf. I
412775.8379 1.3787 -4.9954 3 203.9477279 89502 303461432 451333 a-Alanine, conf. I
412801.3599 0.6995 -4.9217 3 608.4641501 89502 303831271 821270 a-Alanine, conf. I
412801.3599 0.6995 -4.3912 3 608.4641501 89502 303831271 821370 a-Alanine, conf. I
412801.3599 0.6995 -4.3912 3 608.4641501 89502 303831371 821270 a-Alanine, conf. I
412801.3599 0.6995 -4.9217 3 608.4641501 89502 303831371 821370 a-Alanine, conf. I
412814.6876 0.1469 -5.0972 3 285.0165291 89502 303483315 473215 a-Alanine, conf. I
412814.6876 0.1469 -4.0132 3 285.0165291 89502 303483315 473216 a-Alanine, conf. I
412814.6876 0.1469 -4.0132 3 285.0165291 89502 303483316 473215 a-Alanine, conf. I
412814.6876 0.1469 -5.0972 3 285.0165291 89502 303483316 473216 a-Alanine, conf. I
412819.4658 0.8427 -5.6586 3 779.3534459 89502 303765818 755817 a-Alanine, conf. I
412819.4658 0.8427 -5.6586 3 779.3534459 89502 303765819 755818 a-Alanine, conf. I
412821.6891 0.9073 -4.9097 3 623.8315531 89502 30388 583 87 582 a-Alanine, conf. I
412821.6891 0.9073 -4.3071 3 623.8315531 89502 30388 583 87 682 a-Alanine, conf. I
412821.6891 0.9073 -4.3071 3 623.8315531 89502 30388 683 87 582 a-Alanine, conf. I
412821.6891 0.9073 -4.9097 3 623.8315531 89502 30388 683 87 682 a-Alanine, conf. I
412911.1643 2.1670 -4.8767 3 545.2272441 89502 303732846 722845 a-Alanine, conf. I
412930.3967 0.2919 -5.2284 3 377.3798369 89502 303612338 602238 a-Alanine, conf. I
412961.6248 0.8346 -5.6194 3 770.4182459 89502 303765719 755718 a-Alanine, conf. I
412961.6248 0.8346 -5.6194 3 770.4182459 89502 303765720 755719 a-Alanine, conf. I
413010.3350 0.6747 -5.2979 3 289.0723339 89502 303561244 551144 a-Alanine, conf. I
413010.3365 0.6747 -5.2979 3 289.0723339 89502 303561344 551244 a-Alanine, conf. I
413027.2506 0.2602 -5.1933 3 334.8818345 89502 303572434 562334 a-Alanine, conf. I
413040.3546 0.5484 -5.4996 3 252.8189333 89502 30355 649 54 549 a-Alanine, conf. I
413040.3546 0.5484 -5.4996 3 252.8189333 89502 30355 749 54 649 a-Alanine, conf. I
413082.1661 1.4464 -4.8960 3 629.6581549 89502 30391 190 90 189 a-Alanine, conf. I
413082.1661 1.4464 -4.2648 3 629.6581549 89502 30391 190 90 289 a-Alanine, conf. I
413082.1661 1.4464 -4.2648 3 629.6581549 89502 30391 290 90 189 a-Alanine, conf. I
413082.1661 1.4464 -4.8960 3 629.6581549 89502 30391 290 90 289 a-Alanine, conf. I
413113.2616 0.8327 -5.5818 3 761.6449459 89502 303765620 755619 a-Alanine, conf. I
413113.2616 0.8327 -5.5818 3 761.6449459 89502 303765621 755620 a-Alanine, conf. I
413236.1838 1.4827 -5.0777 3 618.4922453 89502 303753837 743836 a-Alanine, conf. I
413236.1838 1.4827 -5.0777 3 618.4922453 89502 303753838 743837 a-Alanine, conf. I
413248.4050 0.7094 -4.8704 3 549.0231447 89502 303742550 732549 a-Alanine, conf. I
413275.0976 0.8367 -5.5457 3 753.0338459 89502 303765521 755520 a-Alanine, conf. I
413275.0976 0.8367 -5.5457 3 753.0338459 89502 303765522 755521 a-Alanine, conf. I
413310.4552 3.1293 -4.6035 3 329.3439345 89502 303572235 562136 a-Alanine, conf. I
413316.8177 0.7189 -4.9220 3 600.4590489 89502 303811566 801565 a-Alanine, conf. I
413316.8177 0.7189 -4.4363 3 600.4590489 89502 303811566 801665 a-Alanine, conf. I
413316.8177 0.7189 -4.4363 3 600.4590489 89502 303811666 801565 a-Alanine, conf. I
413316.8177 0.7189 -4.9220 3 600.4590489 89502 303811666 801665 a-Alanine, conf. I
413372.9601 0.3238 -4.3960 3 334.8818345 89502 303572433 562334 a-Alanine, conf. I
413380.6980 0.1782 -5.0377 3 275.1275255 89502 3034240 2 4139 2 a-Alanine, conf. I
413380.6980 0.1782 -3.8802 3 275.1275255 89502 3034240 2 4139 3 a-Alanine, conf. I
413380.6980 0.1782 -3.8802 3 275.1275255 89502 3034240 3 4139 2 a-Alanine, conf. I
413380.6980 0.1782 -5.0377 3 275.1275255 89502 3034240 3 4139 3 a-Alanine, conf. I
413380.7398 2.0284 -4.7142 3 535.2342441 89502 303732549 722448 a-Alanine, conf. I
413416.2547 0.1587 -5.1069 3 288.9336297 89502 303493217 483117 a-Alanine, conf. I
413416.2547 0.1587 -4.0389 3 288.9336297 89502 303493217 483118 a-Alanine, conf. I
413416.2547 0.1587 -4.0389 3 288.9336297 89502 303493218 483117 a-Alanine, conf. I
413416.2547 0.1587 -5.1069 3 288.9336297 89502 303493218 483118 a-Alanine, conf. I
413447.9316 0.8465 -5.5108 3 744.5856459 89502 303765422 755421 a-Alanine, conf. I
413447.9316 0.8465 -5.5108 3 744.5856459 89502 303765423 755422 a-Alanine, conf. I
413448.8695 1.6777 -4.8643 3 541.9126441 89502 303732747 722746 a-Alanine, conf. I
413459.6613 1.2727 -4.9944 3 203.9470279 89502 303461532 451233 a-Alanine, conf. I
413484.9498 0.7113 -4.6445 3 559.0174453 89502 303752352 742451 a-Alanine, conf. I
413531.1258 0.7353 -4.9193 3 620.5415519 89502 30386 878 85 877 a-Alanine, conf. I
413531.1258 0.7353 -4.3432 3 620.5415519 89502 30386 878 85 977 a-Alanine, conf. I
413531.1258 0.7353 -4.3432 3 620.5415519 89502 30386 978 85 877 a-Alanine, conf. I
413531.1258 0.7353 -4.9193 3 620.5415519 89502 30386 978 85 977 a-Alanine, conf. I
413545.8208 4.1817 -4.8950 3 258.7851309 89502 303511833 501734 a-Alanine, conf. I
413601.7974 0.6952 -4.8840 3 559.0174453 89502 303752452 742451 a-Alanine, conf. I
413632.6509 0.8618 -5.4772 3 736.3008459 89502 303765323 755322 a-Alanine, conf. I
413632.6509 0.8618 -5.4772 3 736.3008459 89502 303765324 755323 a-Alanine, conf. I
413647.3188 1.8020 -4.9631 3 215.0697285 89502 303471532 461433 a-Alanine, conf. I
413710.9953 0.6894 -4.8837 3 559.0098453 89502 303752352 742351 a-Alanine, conf. I
413787.7515 0.9303 -4.9469 3 228.8675291 89502 303481831 471532 a-Alanine, conf. I
413827.8429 0.6903 -4.6437 3 559.0098453 89502 303752452 742351 a-Alanine, conf. I
413830.2439 0.8824 -5.4448 3 728.1800459 89502 303765224 755223 a-Alanine, conf. I
413830.2439 0.8824 -5.4448 3 728.1800459 89502 303765225 755224 a-Alanine, conf. I
413884.0609 1.5598 -5.0571 3 612.9612453 89502 303753739 743738 a-Alanine, conf. I
413884.0610 1.5598 -5.0571 3 612.9612453 89502 303753738 743737 a-Alanine, conf. I
413919.1409 5.5185 -4.7515 3 494.7424423 89502 303702546 692445 a-Alanine, conf. I
413941.8850 0.7259 -4.4913 3 590.3404477 89502 303791861 781960 a-Alanine, conf. I
413941.8850 0.7259 -4.9174 3 590.3404477 89502 303791961 781960 a-Alanine, conf. I
413941.8851 0.7259 -4.9174 3 590.3404477 89502 303791861 781860 a-Alanine, conf. I
413941.8851 0.7259 -4.4913 3 590.3404477 89502 303791961 781860 a-Alanine, conf. I
413968.2510 0.1712 -5.1168 3 293.2260303 89502 303503119 493019 a-Alanine, conf. I
413968.2510 0.1712 -4.0666 3 293.2260303 89502 303503119 493020 a-Alanine, conf. I
413968.2510 0.1712 -4.0666 3 293.2260303 89502 303503120 493019 a-Alanine, conf. I
413968.2510 0.1712 -5.1168 3 293.2260303 89502 303503120 493020 a-Alanine, conf. I
414025.4822 1.0192 -4.9104 3 629.0540537 89502 30389 485 88 484 a-Alanine, conf. I
414025.4822 1.0192 -4.2999 3 629.0540537 89502 30389 485 88 584 a-Alanine, conf. I
414025.4822 1.0192 -4.2999 3 629.0540537 89502 30389 585 88 484 a-Alanine, conf. I
414025.4822 1.0192 -4.9104 3 629.0540537 89502 30389 585 88 584 a-Alanine, conf. I
414035.5815 0.6093 -5.5624 3 247.8612333 89502 30355 550 54 450 a-Alanine, conf. I
414035.5815 0.6093 -5.5624 3 247.8612333 89502 30355 650 54 550 a-Alanine, conf. I
414041.8162 0.9078 -5.4135 3 720.2239459 89502 303765125 755124 a-Alanine, conf. I
414041.8162 0.9078 -5.4135 3 720.2239459 89502 303765126 755125 a-Alanine, conf. I
414065.2505 2.1356 -4.9358 3 570.2910447 89502 303743144 733143 a-Alanine, conf. I
414103.6277 0.1526 -5.0460 3 276.7296261 89502 3034339 4 4238 4 a-Alanine, conf. I
414103.6277 0.1526 -3.8971 3 276.7296261 89502 3034339 4 4238 5 a-Alanine, conf. I
414103.6277 0.1526 -3.8971 3 276.7296261 89502 3034339 5 4238 4 a-Alanine, conf. I
414103.6277 0.1526 -5.0460 3 276.7296261 89502 3034339 5 4238 5 a-Alanine, conf. I
414106.6615 2.1664 -4.9357 3 570.2923447 89502 303743143 733142 a-Alanine, conf. I
414113.7063 0.7028 -4.9252 3 615.2491507 89502 303841173 831172 a-Alanine, conf. I
414113.7063 0.7028 -4.3816 3 615.2491507 89502 303841173 831272 a-Alanine, conf. I
414113.7063 0.7028 -4.3816 3 615.2491507 89502 303841273 831172 a-Alanine, conf. I
414113.7063 0.7028 -4.9252 3 615.2491507 89502 303841273 831272 a-Alanine, conf. I
414164.5569 0.7090 -4.5999 3 568.6405459 89502 303762254 752353 a-Alanine, conf. I
414171.8796 0.7084 -4.8959 3 568.6405459 89502 303762354 752353 a-Alanine, conf. I
414179.5399 0.7080 -4.8959 3 568.6400459 89502 303762254 752253 a-Alanine, conf. I
414186.8626 0.7075 -4.5999 3 568.6400459 89502 303762354 752253 a-Alanine, conf. I
414190.5198 1.6472 -4.8953 3 633.9822555 89502 30392 092 91 091 a-Alanine, conf. I
414190.5198 1.6472 -4.2580 3 633.9822555 89502 30392 092 91 191 a-Alanine, conf. I
414190.5198 1.6472 -4.2580 3 633.9822555 89502 30392 192 91 091 a-Alanine, conf. I
414190.5198 1.6472 -4.8953 3 633.9822555 89502 30392 192 91 191 a-Alanine, conf. I
414195.0993 0.2392 -4.3182 3 327.5228339 89502 303562532 552431 a-Alanine, conf. I
414215.1610 0.2409 -5.1813 3 327.5228339 89502 303562531 552431 a-Alanine, conf. I
414268.6084 0.9377 -5.3832 3 712.4332459 89502 303765026 755025 a-Alanine, conf. I
414268.6084 0.9377 -5.3832 3 712.4332459 89502 303765027 755026 a-Alanine, conf. I
414271.2647 0.2459 -5.1812 3 327.5202339 89502 303562532 552432 a-Alanine, conf. I
414291.3264 0.2484 -4.3180 3 327.5202339 89502 303562531 552432 a-Alanine, conf. I
414377.1637 0.7422 -4.8676 3 548.9377447 89502 303742450 732449 a-Alanine, conf. I
414437.0034 0.7616 -5.1471 3 179.1859267 89502 303441133 431034 a-Alanine, conf. I
414440.9076 0.7610 -5.1471 3 179.1858267 89502 303441233 43 934 a-Alanine, conf. I
414450.0485 1.6347 -5.2286 3 331.3803351 89502 303581840 571740 a-Alanine, conf. I
414452.6079 0.1844 -5.1269 3 297.9015309 89502 303513021 502921 a-Alanine, conf. I
414452.6079 0.1844 -4.0968 3 297.9015309 89502 303513021 502922 a-Alanine, conf. I
414452.6079 0.1844 -4.0968 3 297.9015309 89502 303513022 502921 a-Alanine, conf. I
414452.6079 0.1844 -5.1269 3 297.9015309 89502 303513022 502922 a-Alanine, conf. I
414512.0190 0.9718 -5.3539 3 704.8087459 89502 303764927 754926 a-Alanine, conf. I
414512.0190 0.9718 -5.3539 3 704.8087459 89502 303764928 754927 a-Alanine, conf. I
414550.3673 0.6002 -5.3197 3 284.8744339 89502 303561145 551045 a-Alanine, conf. I
414550.3674 0.6002 -5.3197 3 284.8744339 89502 303561245 551145 a-Alanine, conf. I
414609.0605 1.6444 -5.0371 3 607.6237453 89502 303753640 743639 a-Alanine, conf. I
414609.0618 1.6444 -5.0371 3 607.6237453 89502 303753639 743638 a-Alanine, conf. I
414630.9740 0.7205 -4.9270 3 607.9342495 89502 303821468 811467 a-Alanine, conf. I
414630.9740 0.7205 -4.4242 3 607.9342495 89502 303821468 811567 a-Alanine, conf. I
414630.9740 0.7205 -4.4242 3 607.9342495 89502 303821568 811467 a-Alanine, conf. I
414630.9740 0.7205 -4.9270 3 607.9342495 89502 303821568 811567 a-Alanine, conf. I
414773.6313 1.0097 -5.3255 3 697.3514459 89502 303764828 754827 a-Alanine, conf. I
414773.6313 1.0097 -5.3255 3 697.3514459 89502 303764829 754828 a-Alanine, conf. I
414792.1907 0.7830 -4.9213 3 626.4394525 89502 30387 780 86 779 a-Alanine, conf. I
414792.1907 0.7830 -4.3355 3 626.4394525 89502 30387 780 86 879 a-Alanine, conf. I
414792.1907 0.7830 -4.3355 3 626.4394525 89502 30387 880 86 779 a-Alanine, conf. I
414792.1907 0.7830 -4.9213 3 626.4394525 89502 30387 880 86 879 a-Alanine, conf. I
414819.6087 0.1364 -5.0544 3 278.6813267 89502 3034438 6 4337 6 a-Alanine, conf. I
414819.6087 0.1364 -3.9149 3 278.6813267 89502 3034438 6 4337 7 a-Alanine, conf. I
414819.6087 0.1364 -3.9149 3 278.6813267 89502 3034438 7 4337 6 a-Alanine, conf. I
414819.6087 0.1364 -5.0544 3 278.6813267 89502 3034438 7 4337 7 a-Alanine, conf. I
414837.1297 1.5163 -5.2278 3 331.3851351 89502 303581940 571840 a-Alanine, conf. I
414843.4337 0.1984 -5.1372 3 302.9702315 89502 303522923 512823 a-Alanine, conf. I
414843.4337 0.1984 -4.1300 3 302.9702315 89502 303522924 512823 a-Alanine, conf. I
414843.4337 0.1984 -5.1372 3 302.9702315 89502 303522924 512824 a-Alanine, conf. I
414843.4338 0.1984 -4.1300 3 302.9702315 89502 303522923 512824 a-Alanine, conf. I
414867.5610 4.1163 -4.8377 3 528.7200435 89502 303722745 712744 a-Alanine, conf. I
414943.0581 0.2385 -4.2583 3 320.6902333 89502 303552630 542529 a-Alanine, conf. I
414943.9113 0.2386 -5.1697 3 320.6902333 89502 303552629 542529 a-Alanine, conf. I
414946.7068 0.2389 -5.1696 3 320.6901333 89502 303552630 542530 a-Alanine, conf. I
414947.5599 0.2391 -4.2583 3 320.6901333 89502 303552629 542530 a-Alanine, conf. I
414974.3911 0.6834 -5.6429 3 242.7680333 89502 30355 451 54 351 a-Alanine, conf. I
414974.3911 0.6834 -5.6429 3 242.7680333 89502 30355 551 54 451 a-Alanine, conf. I
415017.3641 0.7204 -4.5668 3 577.9341465 89502 303772156 762255 a-Alanine, conf. I
415017.7334 0.7204 -4.9062 3 577.9341465 89502 303772256 762255 a-Alanine, conf. I
415018.1549 0.7204 -4.9062 3 577.9341465 89502 303772156 762155 a-Alanine, conf. I
415018.5242 0.7204 -4.5668 3 577.9341465 89502 303772256 762155 a-Alanine, conf. I
415055.2472 1.0512 -5.2980 3 690.0622459 89502 303764729 754728 a-Alanine, conf. I
415055.2472 1.0512 -5.2980 3 690.0622459 89502 303764730 754729 a-Alanine, conf. I
415087.2598 1.0176 -5.2529 3 310.6446345 89502 303571542 561442 a-Alanine, conf. I
415088.6177 1.0171 -5.2529 3 310.6446345 89502 303571642 561542 a-Alanine, conf. I
415102.3279 0.2129 -4.1671 3 308.4451321 89502 303532826 522725 a-Alanine, conf. I
415102.3285 0.2129 -5.1478 3 308.4451321 89502 303532825 522725 a-Alanine, conf. I
415102.3314 0.2129 -5.1478 3 308.4451321 89502 303532826 522726 a-Alanine, conf. I
415102.3320 0.2129 -4.1671 3 308.4451321 89502 303532825 522726 a-Alanine, conf. I
415169.4664 0.2271 -4.2092 3 314.3436327 89502 303542728 532627 a-Alanine, conf. I
415169.4938 0.2271 -5.1585 3 314.3436327 89502 303542727 532627 a-Alanine, conf. I
415169.5961 0.2271 -5.1585 3 314.3436327 89502 303542728 532628 a-Alanine, conf. I
415169.6235 0.2271 -4.2092 3 314.3436327 89502 303542727 532628 a-Alanine, conf. I
415193.9859 0.7334 -4.9241 3 598.5393483 89502 303801763 791762 a-Alanine, conf. I
415193.9859 0.7334 -4.4746 3 598.5393483 89502 303801763 791862 a-Alanine, conf. I
415193.9859 0.7334 -4.4746 3 598.5393483 89502 303801863 791762 a-Alanine, conf. I
415193.9859 0.7334 -4.9241 3 598.5393483 89502 303801863 791862 a-Alanine, conf. I
415205.2308 1.1551 -4.9109 3 634.0633543 89502 30390 387 89 386 a-Alanine, conf. I
415205.2308 1.1551 -4.2930 3 634.0633543 89502 30390 387 89 486 a-Alanine, conf. I
415205.2308 1.1551 -4.2930 3 634.0633543 89502 30390 487 89 386 a-Alanine, conf. I
415205.2308 1.1551 -4.9109 3 634.0633543 89502 30390 487 89 486 a-Alanine, conf. I
415306.2351 4.8842 -4.6609 3 403.1651381 89502 303632440 622339 a-Alanine, conf. I
415338.6151 1.2167 -5.2150 3 351.0281357 89502 303592238 582138 a-Alanine, conf. I
415358.9284 1.0960 -5.2713 3 682.9423459 89502 303764630 754629 a-Alanine, conf. I
415358.9284 1.0960 -5.2713 3 682.9423459 89502 303764631 754630 a-Alanine, conf. I
415416.1527 0.7117 -4.9284 3 621.8223513 89502 303851075 841074 a-Alanine, conf. I
415416.1527 0.7117 -4.3727 3 621.8223513 89502 303851075 841174 a-Alanine, conf. I
415416.1527 0.7117 -4.3727 3 621.8223513 89502 303851175 841074 a-Alanine, conf. I
415416.1527 0.7117 -4.9284 3 621.8223513 89502 303851175 841174 a-Alanine, conf. I
415427.2652 1.7386 -5.0175 3 602.4852453 89502 303753541 743540 a-Alanine, conf. I
415427.2802 1.7387 -5.0175 3 602.4852453 89502 303753540 743539 a-Alanine, conf. I
415525.1307 0.5809 -4.4304 3 345.6771351 89502 303582435 572334 a-Alanine, conf. I
415526.1702 0.1294 -5.0631 3 280.9847273 89502 3034537 8 4436 8 a-Alanine, conf. I
415526.1702 0.1294 -3.9338 3 280.9847273 89502 3034537 8 4436 9 a-Alanine, conf. I
415526.1702 0.1294 -3.9338 3 280.9847273 89502 3034537 9 4436 8 a-Alanine, conf. I
415526.1702 0.1294 -5.0631 3 280.9847273 89502 3034537 9 4436 9 a-Alanine, conf. I
415531.1119 0.7337 -4.8206 3 524.2245435 89502 303722547 712546 a-Alanine, conf. I
415687.0488 1.1441 -5.2455 3 675.9930459 89502 303764531 754530 a-Alanine, conf. I
415687.0488 1.1441 -5.2455 3 675.9930459 89502 303764532 754531 a-Alanine, conf. I
415731.0069 2.3050 -4.9178 3 566.2546447 89502 303743045 733044 a-Alanine, conf. I
415807.1360 1.3529 -4.7053 3 548.9377447 89502 303742550 732449 a-Alanine, conf. I
415948.9269 0.7210 -4.9315 3 615.1915501 89502 303831370 821369 a-Alanine, conf. I
415948.9269 0.7210 -4.4133 3 615.1915501 89502 303831370 821469 a-Alanine, conf. I
415948.9269 0.7210 -4.4133 3 615.1915501 89502 303831470 821369 a-Alanine, conf. I
415948.9269 0.7210 -4.9315 3 615.1915501 89502 303831470 821469 a-Alanine, conf. I
415960.5745 0.5462 -5.3451 3 280.5239339 89502 303561046 55 946 a-Alanine, conf. I
415960.5745 0.5462 -5.3451 3 280.5239339 89502 303561146 551046 a-Alanine, conf. I
415982.4150 1.4465 -4.9601 3 215.0669285 89502 303471632 461333 a-Alanine, conf. I
415998.3519 2.4858 -4.9173 3 566.2638447 89502 303743044 733043 a-Alanine, conf. I
416033.5923 0.8515 -4.9229 3 632.1264531 89502 30388 682 87 681 a-Alanine, conf. I
416033.5923 0.8515 -4.3281 3 632.1264531 89502 30388 682 87 781 a-Alanine, conf. I
416033.5923 0.8515 -4.3281 3 632.1264531 89502 30388 782 87 681 a-Alanine, conf. I
416033.5923 0.8515 -4.9229 3 632.1264531 89502 30388 782 87 781 a-Alanine, conf. I
416042.3604 1.1954 -5.2205 3 669.2157459 89502 303764432 754431 a-Alanine, conf. I
416042.3604 1.1954 -5.2205 3 669.2157459 89502 303764433 754432 a-Alanine, conf. I
416043.8696 0.7312 -4.5405 3 586.9349471 89502 303782058 772157 a-Alanine, conf. I
416043.8850 0.7312 -4.9154 3 586.9349471 89502 303782158 772157 a-Alanine, conf. I
416043.9039 0.7312 -4.9154 3 586.9349471 89502 303782058 772057 a-Alanine, conf. I
416043.9192 0.7312 -4.5405 3 586.9349471 89502 303782158 772057 a-Alanine, conf. I
416220.0494 0.1301 -5.0721 3 283.6425279 89502 303463610 453510 a-Alanine, conf. I
416220.0494 0.1301 -3.9539 3 283.6425279 89502 303463610 453511 a-Alanine, conf. I
416220.0494 0.1301 -3.9539 3 283.6425279 89502 303463611 453510 a-Alanine, conf. I
416220.0494 0.1301 -5.0721 3 283.6425279 89502 303463611 453511 a-Alanine, conf. I
416228.2748 0.3768 -5.2014 3 345.6771351 89502 303582434 572334 a-Alanine, conf. I
416244.6581 1.6076 -4.5166 3 342.7834351 89502 303582335 572236 a-Alanine, conf. I
416329.8601 0.5267 -5.2945 3 165.2986261 89502 30343 934 42 835 a-Alanine, conf. I
416329.9082 0.5267 -5.2945 3 165.2986261 89502 303431034 42 735 a-Alanine, conf. I
416359.6519 1.3145 -4.9110 3 638.8582549 89502 30391 289 90 288 a-Alanine, conf. I
416359.6519 1.3145 -4.2862 3 638.8582549 89502 30391 289 90 388 a-Alanine, conf. I
416359.6519 1.3145 -4.2862 3 638.8582549 89502 30391 389 90 288 a-Alanine, conf. I
416359.6519 1.3145 -4.9110 3 638.8582549 89502 30391 389 90 388 a-Alanine, conf. I
416360.5613 1.8460 -4.9985 3 597.5531453 89502 303753442 743441 a-Alanine, conf. I
416360.7159 1.8461 -4.9985 3 597.5531453 89502 303753441 743440 a-Alanine, conf. I
416412.8336 3.8293 -4.8688 3 545.3893441 89502 303732845 722844 a-Alanine, conf. I
416428.0789 1.2499 -5.1962 3 662.6120459 89502 303764333 754332 a-Alanine, conf. I
416428.0789 1.2499 -5.1962 3 662.6120459 89502 303764334 754333 a-Alanine, conf. I
416478.8213 0.7389 -4.9302 3 606.5056489 89502 303811665 801664 a-Alanine, conf. I
416478.8213 0.7389 -4.4601 3 606.5056489 89502 303811665 801764 a-Alanine, conf. I
416478.8213 0.7389 -4.4601 3 606.5056489 89502 303811765 801664 a-Alanine, conf. I
416478.8213 0.7389 -4.9302 3 606.5056489 89502 303811765 801764 a-Alanine, conf. I
416501.7012 1.6339 -5.2204 3 348.2277357 89502 303592139 582039 a-Alanine, conf. I
416705.4647 0.7302 -4.9312 3 628.1843519 89502 30386 977 85 976 a-Alanine, conf. I
416705.4647 0.7302 -4.3644 3 628.1843519 89502 30386 977 851076 a-Alanine, conf. I
416705.4647 0.7302 -4.3644 3 628.1843519 89502 303861077 85 976 a-Alanine, conf. I
416705.4647 0.7302 -4.9312 3 628.1843519 89502 303861077 851076 a-Alanine, conf. I
416739.9780 0.9759 -4.7042 3 562.8076453 89502 303752451 742550 a-Alanine, conf. I
416746.5347 0.9266 -4.8708 3 552.4374447 89502 303742649 732648 a-Alanine, conf. I
416847.9947 1.3078 -5.1726 3 656.1839459 89502 303764234 754233 a-Alanine, conf. I
416847.9947 1.3078 -5.1726 3 656.1839459 89502 303764235 754234 a-Alanine, conf. I
416896.9279 0.1364 -5.0812 3 286.6578285 89502 303473512 463412 a-Alanine, conf. I
416896.9279 0.1364 -3.9752 3 286.6578285 89502 303473512 463413 a-Alanine, conf. I
416896.9279 0.1364 -3.9752 3 286.6578285 89502 303473513 463412 a-Alanine, conf. I
416896.9279 0.1364 -5.0812 3 286.6578285 89502 303473513 463413 a-Alanine, conf. I
416925.6691 0.4049 -5.4943 3 151.3914255 89502 30342 735 41 636 a-Alanine, conf. I
416925.6695 0.4049 -5.4943 3 151.3914255 89502 30342 835 41 536 a-Alanine, conf. I
416954.4381 3.0307 -4.7971 3 566.3385453 89502 303752550 742649 a-Alanine, conf. I
417168.0322 0.8931 -5.2666 3 306.8322345 89502 303571443 561343 a-Alanine, conf. I
417168.1518 0.8931 -5.2666 3 306.8322345 89502 303571543 561443 a-Alanine, conf. I
417183.3398 0.7413 -4.5188 3 595.6673477 89502 303791960 782059 a-Alanine, conf. I
417183.3403 0.7413 -4.9236 3 595.6673477 89502 303792060 782059 a-Alanine, conf. I
417183.3410 0.7413 -4.9236 3 595.6673477 89502 303791960 781959 a-Alanine, conf. I
417183.3416 0.7413 -4.5188 3 595.6673477 89502 303792060 781959 a-Alanine, conf. I
417236.3974 4.7618 -4.7212 3 316.1702339 89502 303562135 552036 a-Alanine, conf. I
417253.5636 0.9430 -4.9242 3 637.6017537 89502 30389 584 88 583 a-Alanine, conf. I
417253.5636 0.9430 -4.3211 3 637.6017537 89502 30389 584 88 683 a-Alanine, conf. I
417253.5636 0.9430 -4.3211 3 637.6017537 89502 30389 684 88 583 a-Alanine, conf. I
417253.5636 0.9430 -4.9242 3 637.6017537 89502 30389 684 88 683 a-Alanine, conf. I
417261.6483 0.5166 -5.3747 3 276.0252339 89502 30356 947 55 847 a-Alanine, conf. I
417261.6483 0.5166 -5.3747 3 276.0252339 89502 303561047 55 947 a-Alanine, conf. I
417264.7165 0.7220 -4.9356 3 622.2337507 89502 303841272 831271 a-Alanine, conf. I
417264.7165 0.7220 -4.4034 3 622.2337507 89502 303841272 831371 a-Alanine, conf. I
417264.7165 0.7220 -4.4034 3 622.2337507 89502 303841372 831271 a-Alanine, conf. I
417264.7165 0.7220 -4.9356 3 622.2337507 89502 303841372 831371 a-Alanine, conf. I
417270.2272 0.9870 -5.2325 3 389.2465375 89502 303622339 612239 a-Alanine, conf. I
417306.6210 1.3693 -5.1497 3 649.9336459 89502 303764135 754134 a-Alanine, conf. I
417306.6210 1.3693 -5.1497 3 649.9336459 89502 303764136 754135 a-Alanine, conf. I
417377.5022 6.8649 -4.9160 3 583.8171459 89502 303762650 752749 a-Alanine, conf. I
417420.3298 6.5064 -4.7587 3 481.4429417 89502 303692545 682444 a-Alanine, conf. I
417439.7339 1.9714 -4.9799 3 592.8366453 89502 303753343 743342 a-Alanine, conf. I
417441.1580 1.9727 -4.9799 3 592.8366453 89502 303753342 743341 a-Alanine, conf. I
417478.1728 0.6486 -5.2100 3 353.7391357 89502 303592337 582237 a-Alanine, conf. I
417487.5761 1.4972 -4.9109 3 643.4370555 89502 30392 191 91 190 a-Alanine, conf. I
417487.5761 1.4972 -4.2796 3 643.4370555 89502 30392 191 91 290 a-Alanine, conf. I
417487.5761 1.4972 -4.2796 3 643.4370555 89502 30392 291 91 190 a-Alanine, conf. I
417487.5761 1.4972 -4.9109 3 643.4370555 89502 30392 291 91 290 a-Alanine, conf. I
417521.6182 0.7174 -4.8843 3 562.8076453 89502 303752551 742550 a-Alanine, conf. I
417541.7879 2.3767 -4.9005 3 562.4924447 89502 303742946 732945 a-Alanine, conf. I
417551.0638 0.1460 -5.0907 3 290.0343291 89502 303483414 473314 a-Alanine, conf. I
417551.0638 0.1460 -3.9980 3 290.0343291 89502 303483414 473315 a-Alanine, conf. I
417551.0638 0.1460 -3.9980 3 290.0343291 89502 303483415 473314 a-Alanine, conf. I
417551.0638 0.1460 -5.0907 3 290.0343291 89502 303483415 473315 a-Alanine, conf. I
417707.7802 0.2863 -5.1986 3 345.6043351 89502 303582435 572335 a-Alanine, conf. I
417783.0605 0.7421 -4.9358 3 614.2458495 89502 303821567 811566 a-Alanine, conf. I
417783.0605 0.7421 -4.4473 3 614.2458495 89502 303821567 811666 a-Alanine, conf. I
417783.0605 0.7421 -4.4473 3 614.2458495 89502 303821667 811566 a-Alanine, conf. I
417783.0605 0.7421 -4.9358 3 614.2458495 89502 303821667 811666 a-Alanine, conf. I
417809.3950 1.4349 -5.1275 3 643.8634459 89502 303764036 754035 a-Alanine, conf. I
417809.3950 1.4349 -5.1275 3 643.8634459 89502 303764037 754036 a-Alanine, conf. I
417821.4734 0.7268 -4.6438 3 572.8136459 89502 303762353 752452 a-Alanine, conf. I
417868.1452 1.3622 -5.2357 3 328.0414351 89502 303581741 571641 a-Alanine, conf. I
417881.0355 0.7199 -4.8979 3 572.8136459 89502 303762453 752452 a-Alanine, conf. I
417922.0502 1.3445 -5.2356 3 328.0420351 89502 303581841 571741 a-Alanine, conf. I
417938.3210 0.7164 -4.8977 3 572.8097459 89502 303762353 752352 a-Alanine, conf. I
417978.9435 0.7626 -4.9337 3 634.3354525 89502 30387 879 86 878 a-Alanine, conf. I
417978.9435 0.7626 -4.3567 3 634.3354525 89502 30387 879 86 978 a-Alanine, conf. I
417978.9435 0.7626 -4.3567 3 634.3354525 89502 30387 979 86 878 a-Alanine, conf. I
417978.9435 0.7626 -4.9337 3 634.3354525 89502 30387 979 86 978 a-Alanine, conf. I
417997.8831 0.7144 -4.6434 3 572.8097459 89502 303762453 752352 a-Alanine, conf. I
418067.4057 0.2019 -5.0323 3 281.3032255 89502 3034241 1 4140 1 a-Alanine, conf. I
418067.4057 0.2019 -3.8706 3 281.3032255 89502 3034241 1 4140 2 a-Alanine, conf. I
418067.4057 0.2019 -3.8706 3 281.3032255 89502 3034241 2 4140 1 a-Alanine, conf. I
418067.4057 0.2019 -5.0323 3 281.3032255 89502 3034241 2 4140 2 a-Alanine, conf. I
418150.1471 0.8792 -5.6945 3 802.2157465 89502 303775918 765917 a-Alanine, conf. I
418150.1471 0.8792 -5.6945 3 802.2157465 89502 303775919 765918 a-Alanine, conf. I
418169.9504 0.7170 -4.8828 3 562.7599453 89502 303752451 742450 a-Alanine, conf. I
418174.7640 0.1573 -5.1003 3 293.7766297 89502 303493316 483216 a-Alanine, conf. I
418174.7640 0.1573 -4.0224 3 293.7766297 89502 303493316 483217 a-Alanine, conf. I
418174.7640 0.1573 -4.0224 3 293.7766297 89502 303493317 483216 a-Alanine, conf. I
418174.7640 0.1573 -5.1003 3 293.7766297 89502 303493317 483217 a-Alanine, conf. I
418289.2948 0.8694 -5.6550 3 793.1236465 89502 303775819 765818 a-Alanine, conf. I
418289.2948 0.8694 -5.6550 3 793.1236465 89502 303775820 765819 a-Alanine, conf. I
418306.8203 2.0657 -5.2283 3 345.2048357 89502 303591940 581840 a-Alanine, conf. I
418362.9557 1.5051 -5.1059 3 637.9765459 89502 303763937 753936 a-Alanine, conf. I
418362.9557 1.5051 -5.1059 3 637.9765459 89502 303763938 753937 a-Alanine, conf. I
418364.1877 0.9257 -5.0896 3 189.9919273 89502 303451233 441134 a-Alanine, conf. I
418378.3346 1.0216 -4.4673 3 356.6678357 89502 303592436 582335 a-Alanine, conf. I
418383.4104 0.9226 -5.0895 3 189.9919273 89502 303451333 441034 a-Alanine, conf. I
418395.5020 0.7503 -4.9311 3 604.1480483 89502 303801862 791861 a-Alanine, conf. I
418395.5020 0.7503 -4.5005 3 604.1480483 89502 303801862 791961 a-Alanine, conf. I
418395.5020 0.7503 -4.9311 3 604.1480483 89502 303801962 791961 a-Alanine, conf. I
418395.5021 0.7503 -4.5005 3 604.1480483 89502 303801962 791861 a-Alanine, conf. I
418410.9243 0.4543 -4.4258 3 345.6043351 89502 303582434 572335 a-Alanine, conf. I
418437.6238 0.8658 -5.6170 3 784.1931465 89502 303775720 765719 a-Alanine, conf. I
418437.6238 0.8658 -5.6170 3 784.1931465 89502 303775721 765720 a-Alanine, conf. I
418450.5428 1.0586 -4.9251 3 642.8644543 89502 30390 486 89 485 a-Alanine, conf. I
418450.5428 1.0586 -4.3142 3 642.8644543 89502 30390 486 89 585 a-Alanine, conf. I
418450.5428 1.0586 -4.3142 3 642.8644543 89502 30390 586 89 485 a-Alanine, conf. I
418450.5428 1.0586 -4.9251 3 642.8644543 89502 30390 586 89 585 a-Alanine, conf. I
418469.5891 0.5141 -5.4097 3 271.3817339 89502 30356 848 55 748 a-Alanine, conf. I
418469.5891 0.5141 -5.4097 3 271.3817339 89502 30356 948 55 848 a-Alanine, conf. I
418474.4237 1.0754 -4.8397 3 538.0852441 89502 303732548 722547 a-Alanine, conf. I
418517.9997 0.7338 -4.6033 3 582.4558465 89502 303772255 762354 a-Alanine, conf. I
418521.5413 0.7335 -4.9097 3 582.4558465 89502 303772355 762354 a-Alanine, conf. I
418525.3224 0.7333 -4.9097 3 582.4555465 89502 303772255 762254 a-Alanine, conf. I
418528.8639 0.7331 -4.6033 3 582.4555465 89502 303772355 762254 a-Alanine, conf. I
418573.6451 0.7259 -4.9394 3 629.0625513 89502 303851174 841173 a-Alanine, conf. I
418573.6451 0.7259 -4.3943 3 629.0625513 89502 303851174 841273 a-Alanine, conf. I
418573.6451 0.7259 -4.3943 3 629.0625513 89502 303851274 841173 a-Alanine, conf. I
418573.6451 0.7259 -4.9394 3 629.0625513 89502 303851274 841273 a-Alanine, conf. I
418587.9277 1.7025 -4.9104 3 647.7981561 89502 30393 093 92 092 a-Alanine, conf. I
418587.9277 1.7025 -4.2730 3 647.7981561 89502 30393 093 92 192 a-Alanine, conf. I
418587.9277 1.7025 -4.2730 3 647.7981561 89502 30393 193 92 092 a-Alanine, conf. I
418587.9277 1.7025 -4.9104 3 647.7981561 89502 30393 193 92 192 a-Alanine, conf. I
418595.8174 0.8683 -5.5805 3 775.4248465 89502 303775621 765620 a-Alanine, conf. I
418595.8174 0.8683 -5.5805 3 775.4248465 89502 303775622 765621 a-Alanine, conf. I
418629.4020 3.8245 -4.6118 3 391.1536375 89502 303622439 612338 a-Alanine, conf. I
418672.2857 1.5161 -4.9356 3 226.3574291 89502 303481732 471433 a-Alanine, conf. I
418708.3105 2.1216 -4.9616 3 588.3477453 89502 303753244 743243 a-Alanine, conf. I
418719.9341 2.1310 -4.9616 3 588.3480453 89502 303753243 743242 a-Alanine, conf. I
418757.6068 0.1697 -5.1102 3 297.8900303 89502 303503218 493118 a-Alanine, conf. I
418757.6068 0.1697 -4.0487 3 297.8900303 89502 303503218 493119 a-Alanine, conf. I
418757.6068 0.1697 -4.0487 3 297.8900303 89502 303503219 493118 a-Alanine, conf. I
418757.6068 0.1697 -5.1102 3 297.8900303 89502 303503219 493119 a-Alanine, conf. I
418764.6308 0.8767 -5.5453 3 766.8192465 89502 303775522 765521 a-Alanine, conf. I
418764.6308 0.8767 -5.5453 3 766.8192465 89502 303775523 765522 a-Alanine, conf. I
418792.6909 0.1711 -5.0403 3 282.7434261 89502 3034340 3 4239 3 a-Alanine, conf. I
418792.6909 0.1711 -3.8868 3 282.7434261 89502 3034340 3 4239 4 a-Alanine, conf. I
418792.6909 0.1711 -3.8868 3 282.7434261 89502 3034340 4 4239 3 a-Alanine, conf. I
418792.6909 0.1711 -5.0403 3 282.7434261 89502 3034340 4 4239 4 a-Alanine, conf. I
418842.4812 1.5110 -4.8749 3 555.7037447 89502 303742748 732747 a-Alanine, conf. I
418902.9083 0.2463 -4.3406 3 337.9924345 89502 303572533 562432 a-Alanine, conf. I
418923.3091 2.1292 -4.8852 3 559.0005447 89502 303742847 732846 a-Alanine, conf. I
418944.9011 0.8907 -5.5113 3 758.3768465 89502 303775423 765422 a-Alanine, conf. I
418944.9011 0.8907 -5.5113 3 758.3768465 89502 303775424 765423 a-Alanine, conf. I
418947.9966 0.2482 -5.1866 3 337.9924345 89502 303572532 562432 a-Alanine, conf. I
418951.5905 0.9696 -4.6990 3 562.7599453 89502 303752551 742450 a-Alanine, conf. I
418953.9976 3.2045 -4.8975 3 562.5490447 89502 303742945 732944 a-Alanine, conf. I
418975.5417 1.5809 -5.0850 3 632.2763459 89502 303763839 753838 a-Alanine, conf. I
418975.5418 1.5809 -5.0850 3 632.2763459 89502 303763838 753837 a-Alanine, conf. I
419016.9838 0.7855 -5.2827 3 302.8488345 89502 303571344 561244 a-Alanine, conf. I
419016.9929 0.7855 -5.2827 3 302.8488345 89502 303571444 561344 a-Alanine, conf. I
419067.6506 0.2568 -5.1863 3 337.9869345 89502 303572533 562433 a-Alanine, conf. I
419096.9987 0.7435 -4.9410 3 621.7648501 89502 303831469 821468 a-Alanine, conf. I
419096.9987 0.7435 -4.4358 3 621.7648501 89502 303831469 821568 a-Alanine, conf. I
419096.9987 0.7435 -4.4358 3 621.7648501 89502 303831569 821468 a-Alanine, conf. I
419096.9987 0.7435 -4.9410 3 621.7648501 89502 303831569 821568 a-Alanine, conf. I
419112.7389 0.2625 -4.3402 3 337.9869345 89502 303572532 562433 a-Alanine, conf. I
419137.5584 0.9102 -5.4785 3 750.0981465 89502 303775324 765323 a-Alanine, conf. I
419137.5584 0.9102 -5.4785 3 750.0981465 89502 303775325 765324 a-Alanine, conf. I
419228.3463 2.4010 -4.8145 3 526.3459435 89502 303722646 712645 a-Alanine, conf. I
419234.2986 0.8130 -4.9358 3 640.2754531 89502 30388 781 87 780 a-Alanine, conf. I
419234.2986 0.8130 -4.3493 3 640.2754531 89502 30388 781 87 880 a-Alanine, conf. I
419234.2986 0.8130 -4.3493 3 640.2754531 89502 30388 881 87 780 a-Alanine, conf. I
419234.2986 0.8130 -4.9358 3 640.2754531 89502 30388 881 87 880 a-Alanine, conf. I
419285.2608 0.1828 -5.1202 3 302.3815309 89502 303513120 503020 a-Alanine, conf. I
419285.2608 0.1828 -4.0772 3 302.3815309 89502 303513120 503021 a-Alanine, conf. I
419285.2608 0.1828 -4.0772 3 302.3815309 89502 303513121 503020 a-Alanine, conf. I
419285.2608 0.1828 -5.1202 3 302.3815309 89502 303513121 503021 a-Alanine, conf. I
419343.6404 0.9347 -5.4468 3 741.9839465 89502 303775225 765224 a-Alanine, conf. I
419343.6404 0.9347 -5.4468 3 741.9839465 89502 303775226 765225 a-Alanine, conf. I
419415.1061 0.7453 -4.5726 3 591.7776471 89502 303782157 772256 a-Alanine, conf. I
419415.2771 0.7453 -4.9201 3 591.7776471 89502 303782257 772256 a-Alanine, conf. I
419415.4753 0.7453 -4.9201 3 591.7776471 89502 303782157 772156 a-Alanine, conf. I
419415.6463 0.7453 -4.5726 3 591.7776471 89502 303782257 772156 a-Alanine, conf. I
419512.0576 0.1494 -5.0486 3 284.5320267 89502 3034439 5 4338 5 a-Alanine, conf. I
419512.0576 0.1494 -3.9040 3 284.5320267 89502 3034439 5 4338 6 a-Alanine, conf. I
419512.0576 0.1494 -3.9040 3 284.5320267 89502 3034439 6 4338 5 a-Alanine, conf. I
419512.0576 0.1494 -5.0486 3 284.5320267 89502 3034439 6 4338 6 a-Alanine, conf. I
419555.3219 1.6932 -5.2259 3 345.2225357 89502 303592040 581940 a-Alanine, conf. I
419564.3084 0.9639 -5.4162 3 734.0349465 89502 303775126 765125 a-Alanine, conf. I
419564.3084 0.9639 -5.4162 3 734.0349465 89502 303775127 765126 a-Alanine, conf. I
419597.0708 0.5382 -5.4515 3 266.5965339 89502 30356 749 55 649 a-Alanine, conf. I
419597.0708 0.5382 -5.4515 3 266.5965339 89502 30356 849 55 749 a-Alanine, conf. I
419623.1330 1.1984 -4.9258 3 647.9131549 89502 30391 388 90 387 a-Alanine, conf. I
419623.1330 1.1984 -4.3076 3 647.9131549 89502 30391 388 90 487 a-Alanine, conf. I
419623.1330 1.1984 -4.3076 3 647.9131549 89502 30391 488 90 387 a-Alanine, conf. I
419623.1330 1.1984 -4.9258 3 647.9131549 89502 30391 488 90 487 a-Alanine, conf. I
419654.5137 0.7576 -4.9380 3 612.3887489 89502 303811764 801763 a-Alanine, conf. I
419654.5137 0.7576 -4.4847 3 612.3887489 89502 303811764 801863 a-Alanine, conf. I
419654.5137 0.7576 -4.4847 3 612.3887489 89502 303811864 801763 a-Alanine, conf. I
419654.5137 0.7576 -4.9380 3 612.3887489 89502 303811864 801863 a-Alanine, conf. I
419657.5732 1.6634 -5.0646 3 626.7669459 89502 303763740 753739 a-Alanine, conf. I
419657.5735 1.6634 -5.0646 3 626.7669459 89502 303763739 753738 a-Alanine, conf. I
419737.6129 0.1966 -5.1305 3 307.2595315 89502 303523022 512922 a-Alanine, conf. I
419737.6129 0.1966 -4.1083 3 307.2595315 89502 303523022 512923 a-Alanine, conf. I
419737.6129 0.1966 -4.1083 3 307.2595315 89502 303523023 512922 a-Alanine, conf. I
419737.6129 0.1966 -5.1305 3 307.2595315 89502 303523023 512923 a-Alanine, conf. I
419762.1114 0.5732 -5.2092 3 356.6678357 89502 303592435 582335 a-Alanine, conf. I
419800.8675 0.9974 -5.3865 3 726.2517465 89502 303775027 765026 a-Alanine, conf. I
419800.8675 0.9974 -5.3865 3 726.2517465 89502 303775028 765027 a-Alanine, conf. I
419871.9254 0.7359 -4.9427 3 635.6791519 89502 303861076 851075 a-Alanine, conf. I
419871.9254 0.7359 -4.3858 3 635.6791519 89502 303861076 851175 a-Alanine, conf. I
419871.9254 0.7359 -4.3858 3 635.6791519 89502 303861176 851075 a-Alanine, conf. I
419871.9254 0.7359 -4.9427 3 635.6791519 89502 303861176 851175 a-Alanine, conf. I
419914.5211 0.2498 -4.2765 3 330.9144339 89502 303562631 552530 a-Alanine, conf. I
419916.6185 0.2501 -5.1744 3 330.9144339 89502 303562630 552530 a-Alanine, conf. I
419923.1990 0.2508 -5.1743 3 330.9141339 89502 303562631 552531 a-Alanine, conf. I
419925.2963 0.2511 -4.2765 3 330.9141339 89502 303562630 552531 a-Alanine, conf. I
420054.7905 1.0349 -5.3577 3 718.6354465 89502 303774928 764927 a-Alanine, conf. I
420054.7905 1.0349 -5.3577 3 718.6354465 89502 303774929 764928 a-Alanine, conf. I
420085.1748 1.7260 -4.5104 3 367.9039363 89502 303602437 592336 a-Alanine, conf. I
420085.6497 0.2112 -5.1411 3 312.5348321 89502 303532924 522824 a-Alanine, conf. I
420085.6497 0.2112 -4.1426 3 312.5348321 89502 303532925 522824 a-Alanine, conf. I
420085.6499 0.2112 -4.1426 3 312.5348321 89502 303532924 522825 a-Alanine, conf. I
420085.6499 0.2112 -5.1411 3 312.5348321 89502 303532925 522825 a-Alanine, conf. I
420219.0702 2.2974 -4.9435 3 584.1028453 89502 303753145 743144 a-Alanine, conf. I
420223.4234 0.1372 -5.0572 3 286.6711273 89502 3034538 7 4437 7 a-Alanine, conf. I
420223.4234 0.1372 -3.9222 3 286.6711273 89502 3034538 7 4437 8 a-Alanine, conf. I
420223.4234 0.1372 -3.9222 3 286.6711273 89502 3034538 8 4437 7 a-Alanine, conf. I
420223.4234 0.1372 -5.0572 3 286.6711273 89502 3034538 8 4437 8 a-Alanine, conf. I
420251.5295 2.6977 -4.5595 3 379.3974369 89502 303612438 602337 a-Alanine, conf. I
420269.5727 0.2401 -4.2249 3 324.3390333 89502 303552729 542628 a-Alanine, conf. I
420269.6460 0.2401 -5.1629 3 324.3390333 89502 303552728 542628 a-Alanine, conf. I
420269.9101 0.2402 -5.1629 3 324.3389333 89502 303552729 542629 a-Alanine, conf. I
420269.9835 0.2402 -4.2249 3 324.3389333 89502 303552728 542629 a-Alanine, conf. I
420285.9107 0.2261 -4.1811 3 318.2215327 89502 303542827 532726 a-Alanine, conf. I
420285.9126 0.2261 -5.1518 3 318.2215327 89502 303542826 532726 a-Alanine, conf. I
420285.9206 0.2261 -5.1518 3 318.2215327 89502 303542827 532727 a-Alanine, conf. I
420285.9225 0.2261 -4.1811 3 318.2215327 89502 303542826 532727 a-Alanine, conf. I
420301.8043 2.3593 -4.9434 3 584.1054453 89502 303753144 743143 a-Alanine, conf. I
420327.7474 1.0761 -5.3299 3 711.1867465 89502 303774829 764828 a-Alanine, conf. I
420327.7474 1.0761 -5.3299 3 711.1867465 89502 303774830 764829 a-Alanine, conf. I
420331.8328 0.6942 -5.6280 3 167.1005249 89502 303411724 401427 a-Alanine, conf. I
420413.3336 0.7439 -4.9457 3 629.0661507 89502 303841371 831370 a-Alanine, conf. I
420413.3336 0.7439 -4.4255 3 629.0661507 89502 303841371 831470 a-Alanine, conf. I
420413.3336 0.7439 -4.4255 3 629.0661507 89502 303841471 831370 a-Alanine, conf. I
420413.3336 0.7439 -4.9457 3 629.0661507 89502 303841471 831470 a-Alanine, conf. I
420422.5403 1.7545 -5.0448 3 621.4536459 89502 303763641 753640 a-Alanine, conf. I
420422.5436 1.7545 -5.0448 3 621.4536459 89502 303763640 753639 a-Alanine, conf. I
420469.5549 0.8846 -4.9376 3 646.0038537 89502 30389 683 88 682 a-Alanine, conf. I
420469.5549 0.8846 -4.3423 3 646.0038537 89502 30389 683 88 782 a-Alanine, conf. I
420469.5549 0.8846 -4.3423 3 646.0038537 89502 30389 783 88 682 a-Alanine, conf. I
420469.5549 0.8846 -4.9376 3 646.0038537 89502 30389 783 88 782 a-Alanine, conf. I
420470.2159 0.7562 -4.5480 3 600.8126477 89502 303792059 782158 a-Alanine, conf. I
420470.2227 0.7562 -4.9293 3 600.8126477 89502 303792159 782158 a-Alanine, conf. I
420470.2312 0.7562 -4.9293 3 600.8126477 89502 303792059 782058 a-Alanine, conf. I
420470.2381 0.7562 -4.5480 3 600.8126477 89502 303792159 782058 a-Alanine, conf. I
420574.4983 1.1825 -5.2453 3 324.4904351 89502 303581642 571542 a-Alanine, conf. I
420580.7397 1.1803 -5.2453 3 324.4905351 89502 303581742 571642 a-Alanine, conf. I
420597.6896 4.9192 -4.8668 3 280.5780321 89502 303531934 521835 a-Alanine, conf. I
420621.6418 1.1208 -5.3029 3 703.9069465 89502 303774730 764729 a-Alanine, conf. I
420621.6418 1.1208 -5.3029 3 703.9069465 89502 303774731 764730 a-Alanine, conf. I
420654.3329 0.5852 -5.5020 3 261.6719339 89502 30356 650 55 550 a-Alanine, conf. I
420654.3329 0.5852 -5.5020 3 261.6719339 89502 30356 750 55 650 a-Alanine, conf. I
420683.4227 0.6940 -5.3014 3 298.7023345 89502 303571245 561145 a-Alanine, conf. I
420683.4233 0.6940 -5.3014 3 298.7023345 89502 303571345 561245 a-Alanine, conf. I
420770.0708 1.3621 -4.9262 3 652.7465555 89502 30392 290 91 289 a-Alanine, conf. I
420770.0708 1.3621 -4.3011 3 652.7465555 89502 30392 290 91 389 a-Alanine, conf. I
420770.0708 1.3621 -4.3011 3 652.7465555 89502 30392 390 91 289 a-Alanine, conf. I
420770.0708 1.3621 -4.9262 3 652.7465555 89502 30392 390 91 389 a-Alanine, conf. I
420778.2202 2.7641 -5.2318 3 359.1580363 89502 303602040 591940 a-Alanine, conf. I
420866.4521 3.6254 -5.2400 3 387.2451375 89502 303622240 612140 a-Alanine, conf. I
420924.0485 0.1338 -5.0660 3 289.1631279 89502 3034637 9 4536 9 a-Alanine, conf. I
420924.0485 0.1338 -3.9415 3 289.1631279 89502 3034637 9 453610 a-Alanine, conf. I
420924.0485 0.1338 -3.9415 3 289.1631279 89502 303463710 4536 9 a-Alanine, conf. I
420924.0485 0.1338 -5.0660 3 289.1631279 89502 303463710 453610 a-Alanine, conf. I
420938.6561 1.1688 -5.2767 3 696.7972465 89502 303774631 764630 a-Alanine, conf. I
420938.6561 1.1688 -5.2767 3 696.7972465 89502 303774632 764631 a-Alanine, conf. I
420942.9179 0.7627 -4.9443 3 620.3978495 89502 303821666 811665 a-Alanine, conf. I
420942.9179 0.7627 -4.4710 3 620.3978495 89502 303821666 811765 a-Alanine, conf. I
420942.9179 0.7627 -4.4710 3 620.3978495 89502 303821766 811665 a-Alanine, conf. I
420942.9179 0.7627 -4.9443 3 620.3978495 89502 303821766 811765 a-Alanine, conf. I
421003.2149 1.3025 -5.1838 3 221.9386285 89502 303471929 461630 a-Alanine, conf. I
421031.1564 0.6433 -5.2175 3 175.9478267 89502 303441034 43 935 a-Alanine, conf. I
421031.4584 0.6432 -5.2175 3 175.9478267 89502 303441134 43 835 a-Alanine, conf. I
421156.4413 0.7561 -4.9458 3 642.0841525 89502 30387 978 86 977 a-Alanine, conf. I
421156.4413 0.7561 -4.3780 3 642.0841525 89502 30387 978 861077 a-Alanine, conf. I
421156.4413 0.7561 -4.3780 3 642.0841525 89502 303871078 86 977 a-Alanine, conf. I
421156.4413 0.7561 -4.9458 3 642.0841525 89502 303871078 861077 a-Alanine, conf. I
421249.2575 3.5909 -5.2379 3 373.1937369 89502 303612140 602040 a-Alanine, conf. I
421265.9123 1.1646 -4.8587 3 552.0440447 89502 303742549 732548 a-Alanine, conf. I
421268.7633 0.8456 -4.8844 3 566.3385453 89502 303752650 742649 a-Alanine, conf. I
421281.3079 1.2200 -5.2513 3 689.8588465 89502 303774532 764531 a-Alanine, conf. I
421281.3079 1.2200 -5.2513 3 689.8588465 89502 303774533 764532 a-Alanine, conf. I
421288.4122 1.8569 -5.0255 3 616.3424459 89502 303763542 753541 a-Alanine, conf. I
421288.4481 1.8569 -5.0255 3 616.3424459 89502 303763541 753540 a-Alanine, conf. I
421352.3009 0.8413 -4.6978 3 576.7346459 89502 303762452 752551 a-Alanine, conf. I
421610.3245 0.1374 -5.0751 3 292.0106285 89502 303473611 463511 a-Alanine, conf. I
421610.3245 0.1374 -3.9620 3 292.0106285 89502 303473611 463512 a-Alanine, conf. I
421610.3245 0.1374 -3.9620 3 292.0106285 89502 303473612 463511 a-Alanine, conf. I
421610.3245 0.1374 -5.0751 3 292.0106285 89502 303473612 463512 a-Alanine, conf. I
421615.6377 0.7466 -5.0830 3 230.9652291 89502 303481930 471631 a-Alanine, conf. I
421627.1612 0.7663 -4.5276 3 609.5830483 89502 303801961 792060 a-Alanine, conf. I
421627.1614 0.7663 -4.9377 3 609.5830483 89502 303802061 792060 a-Alanine, conf. I
421627.1617 0.7663 -4.9377 3 609.5830483 89502 303801961 791960 a-Alanine, conf. I
421627.1619 0.7663 -4.5276 3 609.5830483 89502 303802061 791960 a-Alanine, conf. I
421649.7859 0.6498 -5.5648 3 256.6101339 89502 30356 551 55 451 a-Alanine, conf. I
421649.7859 0.6498 -5.5648 3 256.6101339 89502 30356 651 55 551 a-Alanine, conf. I
421652.5235 1.2745 -5.2266 3 683.0933465 89502 303774433 764432 a-Alanine, conf. I
421652.5235 1.2745 -5.2266 3 683.0933465 89502 303774434 764433 a-Alanine, conf. I
421675.3053 26.6283 -5.6660 3 827.0658543 89502 303903357 893456 a-Alanine, conf. I
421682.9846 0.9797 -4.9391 3 651.5198543 89502 30390 585 89 584 a-Alanine, conf. I
421682.9846 0.9797 -4.3356 3 651.5198543 89502 30390 585 89 684 a-Alanine, conf. I
421682.9846 0.9797 -4.3356 3 651.5198543 89502 30390 685 89 584 a-Alanine, conf. I
421682.9846 0.9797 -4.9391 3 651.5198543 89502 30390 685 89 684 a-Alanine, conf. I
421726.4136 0.7451 -4.9500 3 636.1521513 89502 303851273 841272 a-Alanine, conf. I
421726.4136 0.7451 -4.4161 3 636.1521513 89502 303851273 841372 a-Alanine, conf. I
421726.4136 0.7451 -4.4161 3 636.1521513 89502 303851373 841272 a-Alanine, conf. I
421726.4136 0.7451 -4.9500 3 636.1521513 89502 303851373 841372 a-Alanine, conf. I
421771.5105 0.7353 -4.8987 3 576.7346459 89502 303762552 752551 a-Alanine, conf. I
421804.1406 1.1222 -5.0401 3 200.9970279 89502 303461333 451234 a-Alanine, conf. I
421889.7520 1.1079 -5.0400 3 200.9969279 89502 303461433 451134 a-Alanine, conf. I
421890.2024 1.5491 -4.9262 3 657.3629561 89502 30393 192 92 191 a-Alanine, conf. I
421890.2024 1.5491 -4.2948 3 657.3629561 89502 30393 192 92 291 a-Alanine, conf. I
421890.2024 1.5491 -4.2948 3 657.3629561 89502 30393 292 92 191 a-Alanine, conf. I
421890.2024 1.5491 -4.9262 3 657.3629561 89502 30393 292 92 291 a-Alanine, conf. I
421954.0303 3.2401 -4.9228 3 246.8813303 89502 303501733 491634 a-Alanine, conf. I
421981.0604 2.4577 -4.9258 3 580.1219453 89502 303753046 743045 a-Alanine, conf. I
422055.7312 1.3323 -5.2027 3 676.5026465 89502 303774334 764333 a-Alanine, conf. I
422055.7312 1.3323 -5.2027 3 676.5026465 89502 303774335 764334 a-Alanine, conf. I
422133.9410 0.7256 -4.8979 3 576.7085459 89502 303762452 752451 a-Alanine, conf. I
422146.1932 0.7486 -4.6449 3 586.7526465 89502 303772354 762453 a-Alanine, conf. I
422152.1164 0.4599 -5.3881 3 161.8663261 89502 30343 835 42 736 a-Alanine, conf. I
422152.1191 0.4599 -5.3881 3 161.8663261 89502 30343 935 42 636 a-Alanine, conf. I
422176.1687 0.7455 -4.9122 3 586.7526465 89502 303772454 762453 a-Alanine, conf. I
422192.3991 6.9538 -4.7542 3 468.2668411 89502 303682544 672443 a-Alanine, conf. I
422201.5771 0.6207 -5.3231 3 294.3989345 89502 303571146 561046 a-Alanine, conf. I
422201.5771 0.6207 -5.3231 3 294.3989345 89502 303571246 561146 a-Alanine, conf. I
422205.7553 0.7436 -4.9121 3 586.7507465 89502 303772354 762353 a-Alanine, conf. I
422223.7950 1.4821 -5.2206 3 362.1207363 89502 303602239 592139 a-Alanine, conf. I
422229.8000 0.4210 -5.6253 3 147.7823255 89502 30342 636 41 537 a-Alanine, conf. I
422229.8000 0.4210 -5.6253 3 147.7823255 89502 30342 736 41 437 a-Alanine, conf. I
422235.7308 0.7419 -4.6447 3 586.7507465 89502 303772454 762353 a-Alanine, conf. I
422248.3604 0.7657 -4.9501 3 628.1816501 89502 303831568 821567 a-Alanine, conf. I
422248.3604 0.7657 -4.4589 3 628.1816501 89502 303831568 821667 a-Alanine, conf. I
422248.3604 0.7657 -4.4589 3 628.1816501 89502 303831668 821567 a-Alanine, conf. I
422248.3604 0.7657 -4.9501 3 628.1816501 89502 303831668 821667 a-Alanine, conf. I
422277.4852 0.1455 -5.0844 3 295.2171291 89502 303483513 473413 a-Alanine, conf. I
422277.4852 0.1455 -3.9838 3 295.2171291 89502 303483513 473414 a-Alanine, conf. I
422277.4852 0.1455 -3.9838 3 295.2171291 89502 303483514 473413 a-Alanine, conf. I
422277.4852 0.1455 -5.0844 3 295.2171291 89502 303483514 473414 a-Alanine, conf. I
422279.9364 1.9744 -5.0066 3 611.4414459 89502 303763443 753442 a-Alanine, conf. I
422280.2892 1.9748 -5.0066 3 611.4414459 89502 303763442 753441 a-Alanine, conf. I
422424.5810 0.7907 -4.9485 3 648.2777531 89502 30388 880 87 879 a-Alanine, conf. I
422424.5810 0.7907 -4.3706 3 648.2777531 89502 30388 880 87 979 a-Alanine, conf. I
422424.5810 0.7907 -4.3706 3 648.2777531 89502 30388 980 87 879 a-Alanine, conf. I
422424.5810 0.7907 -4.9485 3 648.2777531 89502 30388 980 87 979 a-Alanine, conf. I
422427.5876 0.3342 -5.2045 3 356.5327357 89502 303592436 582336 a-Alanine, conf. I
422480.3518 2.7940 -4.9247 3 580.1400453 89502 303753045 743044 a-Alanine, conf. I
422494.9852 1.3936 -5.1795 3 670.0885465 89502 303774235 764234 a-Alanine, conf. I
422494.9852 1.3936 -5.1795 3 670.0885465 89502 303774236 764235 a-Alanine, conf. I
422553.1506 0.8063 -4.6951 3 576.7085459 89502 303762552 752451 a-Alanine, conf. I
422590.4355 0.7274 -5.6451 3 251.4127339 89502 30356 452 55 352 a-Alanine, conf. I
422590.4355 0.7274 -5.6451 3 251.4127339 89502 30356 552 55 452 a-Alanine, conf. I
422686.6037 1.6889 -5.2988 3 213.0371279 89502 303461928 451629 a-Alanine, conf. I
422692.3259 1.6144 -5.2327 3 341.9800357 89502 303591841 581741 a-Alanine, conf. I
422712.8159 0.8528 -5.2181 3 367.9039363 89502 303602436 592336 a-Alanine, conf. I
422753.0314 0.2288 -5.0272 3 287.6376255 89502 3034242 0 4141 0 a-Alanine, conf. I
422753.0314 0.2288 -3.8616 3 287.6376255 89502 3034242 0 4141 1 a-Alanine, conf. I
422753.0314 0.2288 -3.8616 3 287.6376255 89502 3034242 1 4141 0 a-Alanine, conf. I
422753.0314 0.2288 -5.0272 3 287.6376255 89502 3034242 1 4141 1 a-Alanine, conf. I
422756.9480 1.3250 -4.9281 3 237.7979297 89502 303491832 481533 a-Alanine, conf. I
422772.2141 4.0464 -4.8404 3 542.5585441 89502 303732746 722745 a-Alanine, conf. I
422849.8965 0.7752 -4.9453 3 618.1042489 89502 303811863 801862 a-Alanine, conf. I
422849.8965 0.7752 -4.5103 3 618.1042489 89502 303811863 801962 a-Alanine, conf. I
422849.8965 0.7752 -4.5103 3 618.1042489 89502 303811963 801862 a-Alanine, conf. I
422849.8965 0.7752 -4.9453 3 618.1042489 89502 303811963 801962 a-Alanine, conf. I
422873.0563 1.0990 -4.9403 3 656.8224549 89502 30391 487 90 486 a-Alanine, conf. I
422873.0563 1.0990 -4.3290 3 656.8224549 89502 30391 487 90 586 a-Alanine, conf. I
422873.0563 1.0990 -4.3290 3 656.8224549 89502 30391 587 90 486 a-Alanine, conf. I
422873.0563 1.0990 -4.9403 3 656.8224549 89502 30391 587 90 586 a-Alanine, conf. I
422878.8024 1.0376 -5.2570 3 320.7475351 89502 303581543 571443 a-Alanine, conf. I
422879.4165 1.0374 -5.2570 3 320.7475351 89502 303581643 571543 a-Alanine, conf. I
422881.6516 0.7592 -4.6078 3 596.4161471 89502 303782256 772355 a-Alanine, conf. I
422883.3478 0.7591 -4.9239 3 596.4161471 89502 303782356 772355 a-Alanine, conf. I
422885.1932 0.7590 -4.9239 3 596.4160471 89502 303782256 772255 a-Alanine, conf. I
422886.8894 0.7589 -4.6078 3 596.4160471 89502 303782356 772255 a-Alanine, conf. I
422894.0975 1.5477 -5.2323 3 341.9823357 89502 303591941 581841 a-Alanine, conf. I
422919.1979 0.1562 -5.0940 3 298.7865297 89502 303493415 483315 a-Alanine, conf. I
422919.1979 0.1562 -4.0072 3 298.7865297 89502 303493415 483316 a-Alanine, conf. I
422919.1979 0.1562 -4.0072 3 298.7865297 89502 303493416 483315 a-Alanine, conf. I
422919.1979 0.1562 -5.0940 3 298.7865297 89502 303493416 483316 a-Alanine, conf. I
422975.1307 1.4589 -5.1569 3 663.8534465 89502 303774136 764135 a-Alanine, conf. I
422975.1307 1.4589 -5.1569 3 663.8534465 89502 303774137 764136 a-Alanine, conf. I
422982.4651 1.7589 -4.9259 3 661.7607567 89502 30394 094 93 093 a-Alanine, conf. I
422982.4651 1.7589 -4.2885 3 661.7607567 89502 30394 094 93 193 a-Alanine, conf. I
422982.4651 1.7589 -4.2885 3 661.7607567 89502 30394 194 93 093 a-Alanine, conf. I
422982.4651 1.7589 -4.9259 3 661.7607567 89502 30394 194 93 193 a-Alanine, conf. I
423031.7559 0.7496 -4.9540 3 643.0246519 89502 303861175 851174 a-Alanine, conf. I
423031.7559 0.7496 -4.4075 3 643.0246519 89502 303861175 851274 a-Alanine, conf. I
423031.7559 0.7496 -4.4075 3 643.0246519 89502 303861275 851174 a-Alanine, conf. I
423031.7559 0.7496 -4.9540 3 643.0246519 89502 303861275 851274 a-Alanine, conf. I
423119.2379 0.8851 -5.2158 3 364.8823363 89502 303602338 592238 a-Alanine, conf. I
423179.0649 2.0364 -4.7751 3 580.3905459 89502 303762551 752650 a-Alanine, conf. I
423360.5731 10.0652 -5.0149 3 616.0317471 89502 303782751 772850 a-Alanine, conf. I
423432.1931 2.1133 -4.9882 3 606.7609459 89502 303763344 753343 a-Alanine, conf. I
423435.2918 2.1160 -4.9882 3 606.7609459 89502 303763343 753342 a-Alanine, conf. I
423456.7623 0.2610 -4.3652 3 348.6705351 89502 303582534 572433 a-Alanine, conf. I
423480.2693 0.1928 -5.0351 3 288.9164261 89502 3034341 2 4240 2 a-Alanine, conf. I
423480.2693 0.1928 -3.8773 3 288.9164261 89502 3034341 2 4240 3 a-Alanine, conf. I
423480.2693 0.1928 -3.8773 3 288.9164261 89502 3034341 3 4240 2 a-Alanine, conf. I
423480.2693 0.1928 -5.0351 3 288.9164261 89502 3034341 3 4240 3 a-Alanine, conf. I
423480.6172 2.2010 -5.2396 3 401.2837381 89502 303632340 622240 a-Alanine, conf. I
423502.0304 1.5285 -5.1350 3 657.8001465 89502 303774037 764036 a-Alanine, conf. I
423502.0304 1.5285 -5.1350 3 657.8001465 89502 303774038 764037 a-Alanine, conf. I
423513.2157 0.3104 -5.6790 3 161.6145243 89502 303401822 391525 a-Alanine, conf. I
423526.9746 0.1683 -5.1038 3 302.7237303 89502 303503317 493217 a-Alanine, conf. I
423526.9746 0.1683 -4.0322 3 302.7237303 89502 303503317 493218 a-Alanine, conf. I
423526.9746 0.1683 -4.0322 3 302.7237303 89502 303503318 493217 a-Alanine, conf. I
423526.9746 0.1683 -5.1038 3 302.7237303 89502 303503318 493218 a-Alanine, conf. I
423555.2704 0.2575 -5.1925 3 348.6705351 89502 303582533 572433 a-Alanine, conf. I
423561.7610 0.7668 -4.9555 3 635.7444507 89502 303841470 831469 a-Alanine, conf. I
423561.7610 0.7668 -4.4480 3 635.7444507 89502 303841470 831569 a-Alanine, conf. I
423561.7610 0.7668 -4.4480 3 635.7444507 89502 303841570 831469 a-Alanine, conf. I
423561.7610 0.7668 -4.9555 3 635.7444507 89502 303841570 831569 a-Alanine, conf. I
423596.5103 0.5690 -5.3484 3 289.9435345 89502 303571047 56 947 a-Alanine, conf. I
423596.5103 0.5690 -5.3484 3 289.9435345 89502 303571147 561047 a-Alanine, conf. I
423615.2215 0.9056 -5.6914 3 816.1637471 89502 303785919 775918 a-Alanine, conf. I
423615.2215 0.9056 -5.6914 3 816.1637471 89502 303785920 775919 a-Alanine, conf. I
423674.1189 0.8439 -4.9508 3 654.2596537 89502 30389 782 88 781 a-Alanine, conf. I
423674.1189 0.8439 -4.3636 3 654.2596537 89502 30389 782 88 881 a-Alanine, conf. I
423674.1189 0.8439 -4.3636 3 654.2596537 89502 30389 882 88 781 a-Alanine, conf. I
423674.1189 0.8439 -4.9508 3 654.2596537 89502 30389 882 88 881 a-Alanine, conf. I
423754.2040 2.4422 -4.9089 3 576.4201453 89502 303752947 742946 a-Alanine, conf. I
423760.3436 0.9002 -5.6530 3 807.0762471 89502 303785820 775819 a-Alanine, conf. I
423760.3436 0.9002 -5.6530 3 807.0762471 89502 303785821 775820 a-Alanine, conf. I
423802.4718 0.2686 -5.1920 3 348.6589351 89502 303582534 572434 a-Alanine, conf. I
423811.3645 0.7315 -4.4594 3 356.5327357 89502 303592435 582336 a-Alanine, conf. I
423819.4929 0.7708 -4.5793 3 605.7678477 89502 303792158 782257 a-Alanine, conf. I
423819.5714 0.7708 -4.9343 3 605.7678477 89502 303792258 782257 a-Alanine, conf. I
423819.6638 0.7708 -4.9343 3 605.7678477 89502 303792158 782157 a-Alanine, conf. I
423819.7424 0.7708 -4.5793 3 605.7678477 89502 303792258 782157 a-Alanine, conf. I
423900.9799 0.2820 -4.3644 3 348.6589351 89502 303582533 572434 a-Alanine, conf. I
423915.0149 0.9011 -5.6162 3 798.1507471 89502 303785721 775720 a-Alanine, conf. I
423915.0149 0.9011 -5.6162 3 798.1507471 89502 303785722 775721 a-Alanine, conf. I
423974.9868 1.3297 -4.8869 3 569.6748453 89502 303752749 742748 a-Alanine, conf. I
424038.3970 1.2429 -4.9412 3 661.9102555 89502 30392 389 91 388 a-Alanine, conf. I
424038.3970 1.2429 -4.3227 3 661.9102555 89502 30392 389 91 488 a-Alanine, conf. I
424038.3970 1.2429 -4.3227 3 661.9102555 89502 30392 489 91 388 a-Alanine, conf. I
424038.3970 1.2429 -4.9412 3 661.9102555 89502 30392 489 91 488 a-Alanine, conf. I
424079.9501 0.9080 -5.5806 3 789.3877471 89502 303785622 775621 a-Alanine, conf. I
424079.9501 0.9080 -5.5806 3 789.3877471 89502 303785623 775622 a-Alanine, conf. I
424082.8801 1.6033 -5.1137 3 651.9316465 89502 303773938 763937 a-Alanine, conf. I
424082.8801 1.6033 -5.1137 3 651.9316465 89502 303773939 763938 a-Alanine, conf. I
424089.2988 0.1813 -5.1139 3 307.0345309 89502 303513219 503119 a-Alanine, conf. I
424089.2988 0.1813 -4.0592 3 307.0345309 89502 303513219 503120 a-Alanine, conf. I
424089.2988 0.1813 -4.0592 3 307.0345309 89502 303513220 503119 a-Alanine, conf. I
424089.2988 0.1813 -5.1139 3 307.0345309 89502 303513220 503120 a-Alanine, conf. I
424114.9894 0.7822 -4.9524 3 626.3869495 89502 303821765 811764 a-Alanine, conf. I
424114.9894 0.7822 -4.4955 3 626.3869495 89502 303821765 811864 a-Alanine, conf. I
424114.9894 0.7822 -4.4955 3 626.3869495 89502 303821865 811764 a-Alanine, conf. I
424114.9894 0.7822 -4.9524 3 626.3869495 89502 303821865 811864 a-Alanine, conf. I
424123.0043 26.2937 -5.5751 3 789.7600531 89502 303883256 873355 a-Alanine, conf. I
424202.4363 0.1656 -5.0433 3 290.5426267 89502 3034440 4 4339 4 a-Alanine, conf. I
424202.4363 0.1656 -3.8939 3 290.5426267 89502 3034440 4 4339 5 a-Alanine, conf. I
424202.4363 0.1656 -3.8939 3 290.5426267 89502 3034440 5 4339 4 a-Alanine, conf. I
424202.4363 0.1656 -5.0433 3 290.5426267 89502 3034440 5 4339 5 a-Alanine, conf. I
424228.4950 1.0627 -4.8769 3 566.0959453 89502 303752550 742549 a-Alanine, conf. I
424255.9398 0.9208 -5.5463 3 780.7877471 89502 303785523 775522 a-Alanine, conf. I
424255.9398 0.9208 -5.5463 3 780.7877471 89502 303785524 775523 a-Alanine, conf. I
424280.6491 4.3958 -4.8728 3 559.2793447 89502 303742846 732845 a-Alanine, conf. I
424307.0600 1.7913 -5.2257 3 359.2174363 89502 303602140 592040 a-Alanine, conf. I
424325.7261 0.7608 -4.9576 3 649.6845525 89502 303871077 861076 a-Alanine, conf. I
424325.7261 0.7608 -4.3995 3 649.6845525 89502 303871077 861176 a-Alanine, conf. I
424325.7261 0.7608 -4.3995 3 649.6845525 89502 303871177 861076 a-Alanine, conf. I
424325.7261 0.7608 -4.9576 3 649.6845525 89502 303871177 861176 a-Alanine, conf. I
424443.8607 0.9391 -5.5131 3 772.3513471 89502 303785424 775423 a-Alanine, conf. I
424443.8607 0.9391 -5.5131 3 772.3513471 89502 303785425 775424 a-Alanine, conf. I
424565.1253 1.3726 -4.9983 3 212.1954285 89502 303471433 461334 a-Alanine, conf. I
424590.2847 0.1949 -5.1242 3 311.7262315 89502 303523121 513021 a-Alanine, conf. I
424590.2847 0.1949 -4.0885 3 311.7262315 89502 303523121 513022 a-Alanine, conf. I
424590.2847 0.1949 -4.0885 3 311.7262315 89502 303523122 513021 a-Alanine, conf. I
424590.2847 0.1949 -5.1242 3 311.7262315 89502 303523122 513022 a-Alanine, conf. I
424644.6883 0.9626 -5.4810 3 764.0791471 89502 303785325 775324 a-Alanine, conf. I
424644.6883 0.9626 -5.4810 3 764.0791471 89502 303785326 775325 a-Alanine, conf. I
424648.0904 1.4472 -4.8261 3 540.3298441 89502 303732647 722646 a-Alanine, conf. I
424650.4261 2.6305 -4.5687 3 353.7391357 89502 303592336 582237 a-Alanine, conf. I
424726.6646 1.6842 -5.0930 3 646.2518465 89502 303773840 763839 a-Alanine, conf. I
424726.6647 1.6842 -5.0930 3 646.2518465 89502 303773839 763838 a-Alanine, conf. I
424754.8062 2.0285 -4.8950 3 572.9742453 89502 303752848 742847 a-Alanine, conf. I
424793.6446 2.2798 -4.9700 3 602.3143459 89502 303763245 753244 a-Alanine, conf. I
424817.6650 2.2995 -4.9699 3 602.3150459 89502 303763244 753243 a-Alanine, conf. I
424818.7670 0.2667 -5.0068 3 240.1029297 89502 303491931 481632 a-Alanine, conf. I
424828.3096 0.2601 -4.2961 3 341.3395345 89502 303572632 562531 a-Alanine, conf. I
424833.3253 0.2607 -5.1797 3 341.3395345 89502 303572631 562531 a-Alanine, conf. I
424848.3713 0.2624 -5.1796 3 341.3389345 89502 303572632 562532 a-Alanine, conf. I
424853.3870 0.2631 -4.2961 3 341.3389345 89502 303572631 562532 a-Alanine, conf. I
424859.5115 0.9910 -5.4500 3 755.9717471 89502 303785226 775225 a-Alanine, conf. I
424859.5115 0.9910 -5.4500 3 755.9717471 89502 303785227 775226 a-Alanine, conf. I
424876.2321 0.7672 -4.9604 3 643.0896513 89502 303851372 841371 a-Alanine, conf. I
424876.2321 0.7672 -4.4382 3 643.0896513 89502 303851372 841471 a-Alanine, conf. I
424876.2321 0.7672 -4.4382 3 643.0896513 89502 303851472 841371 a-Alanine, conf. I
424876.2321 0.7672 -4.9604 3 643.0896513 89502 303851472 841471 a-Alanine, conf. I
424887.2457 0.5428 -5.3780 3 285.3404345 89502 30357 948 56 848 a-Alanine, conf. I
424887.2457 0.5428 -5.3780 3 285.3404345 89502 303571048 56 948 a-Alanine, conf. I
424900.1271 0.7817 -4.5563 3 614.8380483 89502 303802060 792159 a-Alanine, conf. I
424900.1301 0.7817 -4.9437 3 614.8380483 89502 303802160 792159 a-Alanine, conf. I
424900.1340 0.7817 -4.9437 3 614.8380483 89502 303802060 792059 a-Alanine, conf. I
424900.1370 0.7817 -4.5563 3 614.8380483 89502 303802160 792059 a-Alanine, conf. I
424902.4591 0.9131 -5.2707 3 316.8257351 89502 303581444 571344 a-Alanine, conf. I
424902.5111 0.9131 -5.2707 3 316.8257351 89502 303581544 571444 a-Alanine, conf. I
424903.1287 0.9187 -4.9529 3 660.0292543 89502 30390 684 89 683 a-Alanine, conf. I
424903.1287 0.9187 -4.3569 3 660.0292543 89502 30390 684 89 783 a-Alanine, conf. I
424903.1287 0.9187 -4.3569 3 660.0292543 89502 30390 784 89 683 a-Alanine, conf. I
424903.1287 0.9187 -4.9529 3 660.0292543 89502 30390 784 89 783 a-Alanine, conf. I
424909.6475 1.3140 -4.9978 3 212.1951285 89502 303471533 461234 a-Alanine, conf. I
424917.7713 0.1479 -5.0517 3 292.5182273 89502 3034539 6 4438 6 a-Alanine, conf. I
424917.7713 0.1479 -3.9114 3 292.5182273 89502 3034539 6 4438 7 a-Alanine, conf. I
424917.7713 0.1479 -3.9114 3 292.5182273 89502 3034539 7 4438 6 a-Alanine, conf. I
424917.7713 0.1479 -5.0517 3 292.5182273 89502 3034539 7 4438 7 a-Alanine, conf. I
425007.5268 0.2094 -5.1347 3 316.8079321 89502 303533023 522923 a-Alanine, conf. I
425007.5268 0.2094 -4.1205 3 316.8079321 89502 303533023 522924 a-Alanine, conf. I
425007.5268 0.2094 -4.1205 3 316.8079321 89502 303533024 522923 a-Alanine, conf. I
425007.5268 0.2094 -5.1347 3 316.8079321 89502 303533024 522924 a-Alanine, conf. I
425044.8054 1.1253 -5.2274 3 379.3974369 89502 303612437 602337 a-Alanine, conf. I
425089.5504 1.0239 -5.4200 3 748.0300471 89502 303785127 775126 a-Alanine, conf. I
425089.5504 1.0239 -5.4200 3 748.0300471 89502 303785128 775127 a-Alanine, conf. I
425177.7623 1.4107 -4.9417 3 666.7818561 89502 30393 291 92 290 a-Alanine, conf. I
425177.7623 1.4107 -4.3165 3 666.7818561 89502 30393 291 92 390 a-Alanine, conf. I
425177.7623 1.4107 -4.3165 3 666.7818561 89502 30393 391 92 290 a-Alanine, conf. I
425177.7623 1.4107 -4.9417 3 666.7818561 89502 30393 391 92 390 a-Alanine, conf. I
425308.4629 0.2245 -4.1560 3 322.2914327 89502 303542926 532825 a-Alanine, conf. I
425308.4630 0.2245 -5.1454 3 322.2914327 89502 303542925 532825 a-Alanine, conf. I
425308.4636 0.2245 -5.1454 3 322.2914327 89502 303542926 532826 a-Alanine, conf. I
425308.4637 0.2245 -4.1560 3 322.2914327 89502 303542925 532826 a-Alanine, conf. I
425333.7502 0.2532 -4.2417 3 334.5312339 89502 303562730 552629 a-Alanine, conf. I
425333.9414 0.2532 -5.1678 3 334.5312339 89502 303562729 552629 a-Alanine, conf. I
425334.6034 0.2533 -5.1678 3 334.5312339 89502 303562730 552630 a-Alanine, conf. I
425334.7946 0.2533 -4.2417 3 334.5312339 89502 303562729 552630 a-Alanine, conf. I
425336.1778 1.0609 -5.3908 3 740.2548471 89502 303785028 775027 a-Alanine, conf. I
425336.1778 1.0609 -5.3908 3 740.2548471 89502 303785029 775028 a-Alanine, conf. I
425406.3962 0.7871 -4.9588 3 634.4390501 89502 303831667 821666 a-Alanine, conf. I
425406.3962 0.7871 -4.4825 3 634.4390501 89502 303831667 821766 a-Alanine, conf. I
425406.3962 0.7871 -4.4825 3 634.4390501 89502 303831767 821666 a-Alanine, conf. I
425406.3962 0.7871 -4.9588 3 634.4390501 89502 303831767 821766 a-Alanine, conf. I
425431.6283 0.7839 -5.1512 3 186.8061273 89502 303451134 441035 a-Alanine, conf. I
425433.3341 0.7836 -5.1512 3 186.8061273 89502 303451234 44 935 a-Alanine, conf. I
425443.7639 0.2396 -4.1959 3 328.1921333 89502 303552828 542727 a-Alanine, conf. I
425443.7695 0.2396 -5.1565 3 328.1921333 89502 303552827 542727 a-Alanine, conf. I
425443.7913 0.2396 -5.1565 3 328.1921333 89502 303552828 542728 a-Alanine, conf. I
425443.7968 0.2396 -4.1959 3 328.1921333 89502 303552827 542728 a-Alanine, conf. I
425444.8341 1.7728 -5.0729 3 640.7652465 89502 303773741 763740 a-Alanine, conf. I
425444.8347 1.7728 -5.0729 3 640.7652465 89502 303773740 763739 a-Alanine, conf. I
425600.9451 1.1017 -5.3626 3 732.6469471 89502 303784929 774928 a-Alanine, conf. I
425600.9451 1.1017 -5.3626 3 732.6469471 89502 303784930 774929 a-Alanine, conf. I
425605.3189 0.7827 -4.9608 3 656.1324531 89502 30388 979 87 978 a-Alanine, conf. I
425605.3189 0.7827 -4.3920 3 656.1324531 89502 30388 979 871078 a-Alanine, conf. I
425605.3189 0.7827 -4.3920 3 656.1324531 89502 303881079 87 978 a-Alanine, conf. I
425605.3189 0.7827 -4.9608 3 656.1324531 89502 303881079 871078 a-Alanine, conf. I
425614.6032 4.5123 -4.6729 3 340.0998351 89502 303582236 572137 a-Alanine, conf. I
425623.9636 0.1398 -5.0604 3 294.8452279 89502 3034638 8 4537 8 a-Alanine, conf. I
425623.9636 0.1398 -3.9300 3 294.8452279 89502 3034638 8 4537 9 a-Alanine, conf. I
425623.9636 0.1398 -3.9300 3 294.8452279 89502 3034638 9 4537 8 a-Alanine, conf. I
425623.9636 0.1398 -5.0604 3 294.8452279 89502 3034638 9 4537 9 a-Alanine, conf. I
425659.0202 0.8056 -4.8989 3 580.3905459 89502 303762651 752650 a-Alanine, conf. I
425796.6615 0.8006 -4.6946 3 590.8034465 89502 303772453 762552 a-Alanine, conf. I
425841.7382 1.3750 -5.2403 3 338.5193357 89502 303591742 581642 a-Alanine, conf. I
425868.1831 1.3657 -5.2402 3 338.5195357 89502 303591842 581742 a-Alanine, conf. I
425873.1651 2.3230 -4.9397 3 235.1449297 89502 303491633 481534 a-Alanine, conf. I
425885.6142 1.1462 -5.3353 3 725.2074471 89502 303784830 774829 a-Alanine, conf. I
425885.6142 1.1462 -5.3353 3 725.2074471 89502 303784831 774830 a-Alanine, conf. I
425965.3929 1.8503 -5.4128 3 204.2863273 89502 303451927 441628 a-Alanine, conf. I
426017.7671 0.7582 -4.9136 3 590.8034465 89502 303772553 762552 a-Alanine, conf. I
426072.6968 0.7918 -4.5371 3 623.6470489 89502 303811962 802061 a-Alanine, conf. I
426072.6969 0.7918 -4.9522 3 623.6470489 89502 303812062 802061 a-Alanine, conf. I
426072.6971 0.7918 -4.9522 3 623.6470489 89502 303811962 801961 a-Alanine, conf. I
426072.6972 0.7918 -4.5371 3 623.6470489 89502 303812062 801961 a-Alanine, conf. I
426088.6275 0.5443 -5.4129 3 280.5927345 89502 30357 849 56 749 a-Alanine, conf. I
426088.6275 0.5443 -5.4129 3 280.5927345 89502 30357 949 56 849 a-Alanine, conf. I
426109.9201 1.0173 -4.9546 3 665.5857549 89502 30391 586 90 585 a-Alanine, conf. I
426109.9201 1.0173 -4.3505 3 665.5857549 89502 30391 586 90 685 a-Alanine, conf. I
426109.9201 1.0173 -4.3505 3 665.5857549 89502 30391 686 90 585 a-Alanine, conf. I
426109.9201 1.0173 -4.9546 3 665.5857549 89502 30391 686 90 685 a-Alanine, conf. I
426147.0523 3.7867 -4.9038 3 576.5238453 89502 303752946 742945 a-Alanine, conf. I
426186.4058 0.7687 -4.9649 3 650.2194519 89502 303861274 851273 a-Alanine, conf. I
426186.4058 0.7687 -4.4293 3 650.2194519 89502 303861274 851373 a-Alanine, conf. I
426186.4058 0.7687 -4.4293 3 650.2194519 89502 303861374 851273 a-Alanine, conf. I
426186.4058 0.7687 -4.9649 3 650.2194519 89502 303861374 851373 a-Alanine, conf. I
426192.1966 1.1941 -5.3087 3 717.9374471 89502 303784731 774730 a-Alanine, conf. I
426192.1966 1.1941 -5.3087 3 717.9374471 89502 303784732 774731 a-Alanine, conf. I
426215.8711 0.7490 -4.9131 3 590.7894465 89502 303772453 762452 a-Alanine, conf. I
426227.7841 1.7331 -4.9645 3 223.5805291 89502 303481533 471434 a-Alanine, conf. I
426252.3500 1.8711 -5.0533 3 635.4773465 89502 303773642 763641 a-Alanine, conf. I
426252.3580 1.8711 -5.0533 3 635.4773465 89502 303773641 763640 a-Alanine, conf. I
426290.0137 1.6022 -4.9420 3 671.4357567 89502 30394 193 93 192 a-Alanine, conf. I
426290.0137 1.6022 -4.3104 3 671.4357567 89502 30394 193 93 292 a-Alanine, conf. I
426290.0137 1.6022 -4.3104 3 671.4357567 89502 30394 293 93 192 a-Alanine, conf. I
426290.0137 1.6022 -4.9420 3 671.4357567 89502 30394 293 93 292 a-Alanine, conf. I
426317.9827 0.1398 -5.0694 3 297.5261285 89502 303473710 463610 a-Alanine, conf. I
426317.9827 0.1398 -3.9497 3 297.5261285 89502 303473710 463611 a-Alanine, conf. I
426317.9827 0.1398 -3.9497 3 297.5261285 89502 303473711 463610 a-Alanine, conf. I
426317.9827 0.1398 -5.0694 3 297.5261285 89502 303473711 463611 a-Alanine, conf. I
426412.9968 2.4665 -4.9520 3 598.1198459 89502 303763146 753145 a-Alanine, conf. I
426436.9768 0.7670 -4.6932 3 590.7894465 89502 303772553 762452 a-Alanine, conf. I
426450.9500 4.8806 -4.8729 3 598.1223465 89502 303772651 762750 a-Alanine, conf. I
426472.6414 0.7732 -4.6475 3 600.8349471 89502 303782355 772454 a-Alanine, conf. I
426487.5504 0.7718 -4.9269 3 600.8349471 89502 303782455 772454 a-Alanine, conf. I
426502.6170 0.7707 -4.9269 3 600.8339471 89502 303782355 772354 a-Alanine, conf. I
426517.5259 0.7697 -4.6474 3 600.8339471 89502 303782455 772354 a-Alanine, conf. I
426523.0029 1.2453 -5.2830 3 710.8382471 89502 303784632 774631 a-Alanine, conf. I
426523.0029 1.2453 -5.2830 3 710.8382471 89502 303784633 774632 a-Alanine, conf. I
426574.2241 2.5876 -4.9517 3 598.1252459 89502 303763145 753144 a-Alanine, conf. I
426607.9582 24.5485 -5.4729 3 753.3126519 89502 303863155 853254 a-Alanine, conf. I
426711.7904 0.8053 -5.2868 3 312.7348351 89502 303581345 571245 a-Alanine, conf. I
426711.7942 0.8053 -5.2868 3 312.7348351 89502 303581445 571345 a-Alanine, conf. I
426712.6373 0.7897 -4.9649 3 642.2662507 89502 303841569 831568 a-Alanine, conf. I
426712.6373 0.7897 -4.4710 3 642.2662507 89502 303841569 831668 a-Alanine, conf. I
426712.6373 0.7897 -4.4710 3 642.2662507 89502 303841669 831568 a-Alanine, conf. I
426712.6373 0.7897 -4.9649 3 642.2662507 89502 303841669 831668 a-Alanine, conf. I
426868.0045 0.8196 -4.9637 3 662.3683537 89502 30389 881 88 880 a-Alanine, conf. I
426868.0045 0.8196 -4.3850 3 662.3683537 89502 30389 881 88 980 a-Alanine, conf. I
426868.0045 0.8196 -4.3850 3 662.3683537 89502 30389 981 88 880 a-Alanine, conf. I
426868.0045 0.8196 -4.9637 3 662.3683537 89502 30389 981 88 980 a-Alanine, conf. I
426880.7051 1.2997 -5.2579 3 703.9112471 89502 303784533 774532 a-Alanine, conf. I
426880.7051 1.2997 -5.2579 3 703.9112471 89502 303784534 774533 a-Alanine, conf. I
426954.5081 1.9772 -5.2324 3 356.0795363 89502 303601941 591841 a-Alanine, conf. I
426975.3426 1.1988 -5.2357 3 391.1536375 89502 303622438 612338 a-Alanine, conf. I
426995.8476 0.1457 -5.0786 3 300.5640291 89502 303483612 473512 a-Alanine, conf. I
426995.8476 0.1457 -3.9707 3 300.5640291 89502 303483612 473513 a-Alanine, conf. I
426995.8476 0.1457 -3.9707 3 300.5640291 89502 303483613 473512 a-Alanine, conf. I
426995.8476 0.1457 -5.0786 3 300.5640291 89502 303483613 473513 a-Alanine, conf. I
427122.9050 5.5216 -4.8319 3 303.2161333 89502 303552035 541936 a-Alanine, conf. I
427153.6853 13.8649 -5.1254 3 649.0843483 89502 303802852 792951 a-Alanine, conf. I
427158.4313 0.5483 -5.2984 3 172.5576267 89502 30344 935 43 836 a-Alanine, conf. I
427158.4507 0.5483 -5.2984 3 172.5576267 89502 303441035 43 736 a-Alanine, conf. I
427169.3658 1.9824 -5.0342 3 630.3951465 89502 303773543 763542 a-Alanine, conf. I
427169.4497 1.9825 -5.0342 3 630.3951465 89502 303773542 763541 a-Alanine, conf. I
427212.5011 0.5727 -5.4546 3 275.7034345 89502 30357 750 56 650 a-Alanine, conf. I
427212.5011 0.5727 -5.4546 3 275.7034345 89502 30357 850 56 750 a-Alanine, conf. I
427254.9997 0.7851 -4.6134 3 610.5220477 89502 303792257 782356 a-Alanine, conf. I
427255.8047 0.7851 -4.9386 3 610.5220477 89502 303792357 782356 a-Alanine, conf. I
427256.6959 0.7850 -4.9386 3 610.5219477 89502 303792257 782256 a-Alanine, conf. I
427257.4280 0.4235 -5.2108 3 367.6647363 89502 303602437 592337 a-Alanine, conf. I
427257.5009 0.7850 -4.6134 3 610.5219477 89502 303792357 782256 a-Alanine, conf. I
427268.4160 1.3575 -5.2337 3 697.1582471 89502 303784434 774433 a-Alanine, conf. I
427268.4160 1.3575 -5.2337 3 697.1582471 89502 303784435 774434 a-Alanine, conf. I
427292.9910 1.1405 -4.9559 3 670.9279555 89502 30392 488 91 487 a-Alanine, conf. I
427292.9910 1.1405 -4.3443 3 670.9279555 89502 30392 488 91 587 a-Alanine, conf. I
427292.9910 1.1405 -4.3443 3 670.9279555 89502 30392 588 91 487 a-Alanine, conf. I
427292.9910 1.1405 -4.9559 3 670.9279555 89502 30392 588 91 587 a-Alanine, conf. I
427304.8536 0.8005 -4.9600 3 632.2089495 89502 303821864 811863 a-Alanine, conf. I
427304.8536 0.8005 -4.5209 3 632.2089495 89502 303821864 811963 a-Alanine, conf. I
427304.8536 0.8005 -4.5209 3 632.2089495 89502 303821964 811863 a-Alanine, conf. I
427304.8536 0.8005 -4.9600 3 632.2089495 89502 303821964 811963 a-Alanine, conf. I
427374.1010 1.8167 -4.9419 3 675.8698573 89502 30395 095 94 094 a-Alanine, conf. I
427374.1010 1.8167 -4.3044 3 675.8698573 89502 30395 095 94 194 a-Alanine, conf. I
427374.1010 1.8167 -4.3044 3 675.8698573 89502 30395 195 94 094 a-Alanine, conf. I
427374.1010 1.8167 -4.9419 3 675.8698573 89502 30395 195 94 194 a-Alanine, conf. I
427473.1854 1.5219 -4.9627 3 223.5792291 89502 303481633 471334 a-Alanine, conf. I
427487.9982 0.7740 -4.9691 3 657.1354525 89502 303871176 861175 a-Alanine, conf. I
427487.9982 0.7740 -4.4212 3 657.1354525 89502 303871176 861275 a-Alanine, conf. I
427487.9982 0.7740 -4.4212 3 657.1354525 89502 303871276 861175 a-Alanine, conf. I
427487.9982 0.7740 -4.9691 3 657.1354525 89502 303871276 861275 a-Alanine, conf. I
427493.3901 0.9233 -4.8944 3 580.2466459 89502 303762551 752550 a-Alanine, conf. I
427504.0702 6.7595 -4.7335 3 455.2470405 89502 303672543 662442 a-Alanine, conf. I
427640.8082 1.7527 -5.2310 3 356.0886363 89502 303602041 591941 a-Alanine, conf. I
427652.3066 0.1553 -5.0881 3 303.9623297 89502 303493514 483414 a-Alanine, conf. I
427652.3066 0.1553 -3.9930 3 303.9623297 89502 303493514 483415 a-Alanine, conf. I
427652.3066 0.1553 -3.9930 3 303.9623297 89502 303493515 483414 a-Alanine, conf. I
427652.3066 0.1553 -5.0881 3 303.9623297 89502 303493515 483415 a-Alanine, conf. I
427674.5025 0.4341 -5.4977 3 158.2919261 89502 30343 736 42 637 a-Alanine, conf. I
427674.5026 0.4341 -5.4977 3 158.2919261 89502 30343 836 42 537 a-Alanine, conf. I
427689.7936 1.4187 -5.2101 3 690.5808471 89502 303784335 774334 a-Alanine, conf. I
427689.7936 1.4187 -5.2101 3 690.5808471 89502 303784336 774335 a-Alanine, conf. I
427767.7951 0.2487 -5.6333 3 169.1397249 89502 303411823 401526 a-Alanine, conf. I
427779.8311 0.3131 -4.3923 3 359.5610357 89502 303592535 582434 a-Alanine, conf. I
427988.9775 0.2804 -5.1992 3 359.5610357 89502 303592534 582434 a-Alanine, conf. I
428025.1985 0.7907 -4.9704 3 649.8729513 89502 303851471 841470 a-Alanine, conf. I
428025.1985 0.7907 -4.4608 3 649.8729513 89502 303851471 841570 a-Alanine, conf. I
428025.1985 0.7907 -4.4608 3 649.8729513 89502 303851571 841470 a-Alanine, conf. I
428025.1985 0.7907 -4.9704 3 649.8729513 89502 303851571 841570 a-Alanine, conf. I
428111.6185 0.8756 -4.9663 3 668.3918543 89502 30390 783 89 782 a-Alanine, conf. I
428111.6185 0.8756 -4.3784 3 668.3918543 89502 30390 783 89 882 a-Alanine, conf. I
428111.6185 0.8756 -4.3784 3 668.3918543 89502 30390 883 89 782 a-Alanine, conf. I
428111.6185 0.8756 -4.9663 3 668.3918543 89502 30390 883 89 882 a-Alanine, conf. I
428149.1781 1.4837 -5.1872 3 684.1814471 89502 303784236 774235 a-Alanine, conf. I
428149.1781 1.4837 -5.1872 3 684.1814471 89502 303784237 774236 a-Alanine, conf. I
428166.5849 0.2178 -5.0304 3 295.2484261 89502 3034342 1 4241 1 a-Alanine, conf. I
428166.5849 0.2178 -3.8686 3 295.2484261 89502 3034342 1 4241 2 a-Alanine, conf. I
428166.5849 0.2178 -3.8686 3 295.2484261 89502 3034342 2 4241 1 a-Alanine, conf. I
428166.5849 0.2178 -5.0304 3 295.2484261 89502 3034342 2 4241 2 a-Alanine, conf. I
428223.9612 2.1116 -5.0155 3 625.5272465 89502 303773444 763443 a-Alanine, conf. I
428224.7499 2.1124 -5.0155 3 625.5272465 89502 303773443 763442 a-Alanine, conf. I
428229.6652 0.7968 -4.5869 3 619.9049483 89502 303802159 792258 a-Alanine, conf. I
428229.7010 0.7968 -4.9491 3 619.9049483 89502 303802259 792258 a-Alanine, conf. I
428229.7437 0.7968 -4.9491 3 619.9049483 89502 303802159 792158 a-Alanine, conf. I
428229.7795 0.7968 -4.5869 3 619.9049483 89502 303802259 792158 a-Alanine, conf. I
428245.3560 2.5957 -4.9345 3 594.1976459 89502 303763047 753046 a-Alanine, conf. I
428268.4958 0.6237 -5.5051 3 270.6748345 89502 30357 651 56 551 a-Alanine, conf. I
428268.4958 0.6237 -5.5051 3 270.6748345 89502 30357 751 56 651 a-Alanine, conf. I
428280.3838 0.1670 -5.0979 3 307.7254303 89502 303503416 493316 a-Alanine, conf. I
428280.3838 0.1670 -4.0169 3 307.7254303 89502 303503416 493317 a-Alanine, conf. I
428280.3838 0.1670 -4.0169 3 307.7254303 89502 303503417 493316 a-Alanine, conf. I
428280.3838 0.1670 -5.0979 3 307.7254303 89502 303503417 493317 a-Alanine, conf. I
428350.2230 0.7143 -5.3055 3 308.4820351 89502 303581246 571146 a-Alanine, conf. I
428350.2233 0.7143 -5.3055 3 308.4820351 89502 303581346 571246 a-Alanine, conf. I
428377.8040 21.6071 -5.3608 3 717.7204507 89502 303843054 833153 a-Alanine, conf. I
428422.8887 1.2022 -5.2500 3 334.8532357 89502 303591643 581543 a-Alanine, conf. I
428425.8031 1.2012 -5.2500 3 334.8532357 89502 303591743 581643 a-Alanine, conf. I
428450.9914 1.2884 -4.9570 3 676.0546561 89502 30393 390 92 389 a-Alanine, conf. I
428450.9914 1.2884 -4.3383 3 676.0546561 89502 30393 390 92 489 a-Alanine, conf. I
428450.9914 1.2884 -4.3383 3 676.0546561 89502 30393 490 92 389 a-Alanine, conf. I
428450.9914 1.2884 -4.9570 3 676.0546561 89502 30393 490 92 489 a-Alanine, conf. I
428482.9752 0.2825 -5.1983 3 359.5375357 89502 303592535 582435 a-Alanine, conf. I
428539.9692 4.7432 -4.7792 3 552.0440447 89502 303742649 732548 a-Alanine, conf. I
428542.8203 3.3401 -4.7680 3 566.0959453 89502 303752650 742549 a-Alanine, conf. I
428573.2316 1.4153 -4.7612 3 594.5890465 89502 303772552 762651 a-Alanine, conf. I
428575.2698 0.8073 -4.9672 3 640.5338501 89502 303831766 821765 a-Alanine, conf. I
428575.2698 0.8073 -4.5068 3 640.5338501 89502 303831766 821865 a-Alanine, conf. I
428575.2698 0.8073 -4.5068 3 640.5338501 89502 303831866 821765 a-Alanine, conf. I
428575.2698 0.8073 -4.9672 3 640.5338501 89502 303831866 821865 a-Alanine, conf. I
428651.7773 1.5529 -5.1649 3 677.9623471 89502 303784137 774136 a-Alanine, conf. I
428651.7773 1.5529 -5.1649 3 677.9623471 89502 303784138 774137 a-Alanine, conf. I
428692.1215 0.3171 -4.3907 3 359.5375357 89502 303592534 582435 a-Alanine, conf. I
428735.5772 17.8791 -5.2428 3 682.9790495 89502 303822953 813052 a-Alanine, conf. I
428777.5174 0.7864 -4.9729 3 663.8385531 89502 303881078 871077 a-Alanine, conf. I
428777.5174 0.7864 -4.4136 3 663.8385531 89502 303881078 871177 a-Alanine, conf. I
428777.5174 0.7864 -4.4136 3 663.8385531 89502 303881178 871077 a-Alanine, conf. I
428777.5174 0.7864 -4.9729 3 663.8385531 89502 303881178 871177 a-Alanine, conf. I
428858.1944 1.1603 -4.9002 3 583.8171459 89502 303762750 752749 a-Alanine, conf. I
428870.7219 0.1797 -5.1079 3 311.8583309 89502 303513318 503218 a-Alanine, conf. I
428870.7219 0.1797 -4.0426 3 311.8583309 89502 303513318 503219 a-Alanine, conf. I
428870.7219 0.1797 -4.0426 3 311.8583309 89502 303513319 503218 a-Alanine, conf. I
428870.7219 0.1797 -5.1079 3 311.8583309 89502 303513319 503219 a-Alanine, conf. I
428891.0814 0.1853 -5.0384 3 296.7128267 89502 3034441 3 4340 3 a-Alanine, conf. I
428891.0814 0.1853 -3.8846 3 296.7128267 89502 3034441 3 4340 4 a-Alanine, conf. I
428891.0814 0.1853 -3.8846 3 296.7128267 89502 3034441 4 4340 3 a-Alanine, conf. I
428891.0814 0.1853 -5.0384 3 296.7128267 89502 3034441 4 4340 4 a-Alanine, conf. I
428944.9807 0.7039 -4.8424 3 554.4945447 89502 303742648 732647 a-Alanine, conf. I
429066.6520 0.8660 -5.2419 3 403.1651381 89502 303632439 622339 a-Alanine, conf. I
429149.0108 3.1969 -4.9326 3 594.2324459 89502 303763046 753045 a-Alanine, conf. I
429184.7960 1.1667 -5.2221 3 376.2046369 89502 303612339 602239 a-Alanine, conf. I
429203.9213 1.6268 -5.1433 3 671.9266471 89502 303784038 774037 a-Alanine, conf. I
429203.9213 1.6268 -5.1433 3 671.9266471 89502 303784039 774038 a-Alanine, conf. I
429232.6154 0.9352 -5.6527 3 821.2113477 89502 303795821 785820 a-Alanine, conf. I
429232.6154 0.9352 -5.6527 3 821.2113477 89502 303795822 785821 a-Alanine, conf. I
429264.5622 0.6921 -5.5677 3 265.5088345 89502 30357 552 56 452 a-Alanine, conf. I
429264.5622 0.6921 -5.5677 3 265.5088345 89502 30357 652 56 552 a-Alanine, conf. I
429333.0924 0.8078 -4.5653 3 629.0111489 89502 303812061 802160 a-Alanine, conf. I
429333.0937 0.8078 -4.9585 3 629.0111489 89502 303812161 802160 a-Alanine, conf. I
429333.0954 0.8078 -4.9585 3 629.0111489 89502 303812061 802060 a-Alanine, conf. I
429333.0968 0.8078 -4.5653 3 629.0111489 89502 303812161 802060 a-Alanine, conf. I
429334.2811 0.9538 -4.9685 3 674.2024549 89502 30391 685 90 684 a-Alanine, conf. I
429334.2811 0.9538 -4.3720 3 674.2024549 89502 30391 685 90 784 a-Alanine, conf. I
429334.2811 0.9538 -4.3720 3 674.2024549 89502 30391 785 90 684 a-Alanine, conf. I
429334.2811 0.9538 -4.9685 3 674.2024549 89502 30391 785 90 784 a-Alanine, conf. I
429337.5711 0.7911 -4.9756 3 657.2619519 89502 303861373 851372 a-Alanine, conf. I
429337.5711 0.7911 -4.4515 3 657.2619519 89502 303861373 851472 a-Alanine, conf. I
429337.5711 0.7911 -4.4515 3 657.2619519 89502 303861473 851372 a-Alanine, conf. I
429337.5711 0.7911 -4.9756 3 657.2619519 89502 303861473 851472 a-Alanine, conf. I
429393.8044 0.9406 -5.6168 3 812.2910477 89502 303795722 785721 a-Alanine, conf. I
429393.8044 0.9406 -5.6168 3 812.2910477 89502 303795723 785722 a-Alanine, conf. I
429410.5980 0.1933 -5.1181 3 316.3674315 89502 303523220 513120 a-Alanine, conf. I
429410.5980 0.1933 -4.0703 3 316.3674315 89502 303523220 513121 a-Alanine, conf. I
429410.5980 0.1933 -4.0703 3 316.3674315 89502 303523221 513120 a-Alanine, conf. I
429410.5980 0.1933 -5.1181 3 316.3674315 89502 303523221 513121 a-Alanine, conf. I
429456.0104 2.2656 -4.9972 3 620.8850465 89502 303773345 763344 a-Alanine, conf. I
429462.6112 2.2715 -4.9972 3 620.8852465 89502 303773344 763343 a-Alanine, conf. I
429478.6815 0.9489 -5.0939 3 197.8692279 89502 303461234 451135 a-Alanine, conf. I
429487.3977 0.9474 -5.0939 3 197.8692279 89502 303461334 451035 a-Alanine, conf. I
429509.9600 1.7306 -5.2268 3 373.3708369 89502 303612240 602140 a-Alanine, conf. I
429565.6696 0.9520 -5.5821 3 803.5335477 89502 303795623 785622 a-Alanine, conf. I
429565.6696 0.9520 -5.5821 3 803.5335477 89502 303795624 785623 a-Alanine, conf. I
429582.6951 1.4606 -4.9578 3 680.9643567 89502 30394 292 93 291 a-Alanine, conf. I
429582.6951 1.4606 -4.3324 3 680.9643567 89502 30394 292 93 391 a-Alanine, conf. I
429582.6951 1.4606 -4.3324 3 680.9643567 89502 30394 392 93 291 a-Alanine, conf. I
429582.6951 1.4606 -4.9578 3 680.9643567 89502 30394 392 93 391 a-Alanine, conf. I
429609.7107 0.1620 -5.0467 3 298.5254273 89502 3034540 5 4439 5 a-Alanine, conf. I
429609.7107 0.1620 -3.9015 3 298.5254273 89502 3034540 5 4439 6 a-Alanine, conf. I
429609.7107 0.1620 -3.9015 3 298.5254273 89502 3034540 6 4439 5 a-Alanine, conf. I
429609.7107 0.1620 -5.0467 3 298.5254273 89502 3034540 6 4439 6 a-Alanine, conf. I
429671.9716 0.2690 -4.3172 3 351.9670351 89502 303582633 572532 a-Alanine, conf. I
429683.6441 0.2703 -5.1856 3 351.9670351 89502 303582632 572532 a-Alanine, conf. I
429717.0599 0.2738 -5.1855 3 351.9655351 89502 303582633 572533 a-Alanine, conf. I
429728.7324 0.2754 -4.3171 3 351.9655351 89502 303582632 572533 a-Alanine, conf. I
429749.0384 0.9691 -5.5485 3 794.9394477 89502 303795524 785523 a-Alanine, conf. I
429749.0384 0.9691 -5.5485 3 794.9394477 89502 303795525 785524 a-Alanine, conf. I
429813.4230 1.7065 -5.1223 3 666.0775471 89502 303783939 773938 a-Alanine, conf. I
429813.4230 1.7065 -5.1223 3 666.0775471 89502 303783940 773939 a-Alanine, conf. I
429848.5711 0.6423 -5.3272 3 304.0732351 89502 303581147 571047 a-Alanine, conf. I
429848.5711 0.6423 -5.3272 3 304.0732351 89502 303581247 571147 a-Alanine, conf. I
429855.2680 1.6728 -4.9355 3 235.1394297 89502 303491733 481434 a-Alanine, conf. I
429869.1550 0.8119 -4.9739 3 648.6290507 89502 303841668 831667 a-Alanine, conf. I
429869.1550 0.8119 -4.4946 3 648.6290507 89502 303841668 831767 a-Alanine, conf. I
429869.1550 0.8119 -4.4946 3 648.6290507 89502 303841768 831667 a-Alanine, conf. I
429869.1550 0.8119 -4.9739 3 648.6290507 89502 303841768 831767 a-Alanine, conf. I
429881.0107 2.4519 -4.9183 3 590.5550459 89502 303762948 752947 a-Alanine, conf. I
429882.3981 0.2076 -5.1286 3 321.2604321 89502 303533122 523022 a-Alanine, conf. I
429882.3981 0.2076 -4.1004 3 321.2604321 89502 303533122 523023 a-Alanine, conf. I
429882.3981 0.2076 -4.1004 3 321.2604321 89502 303533123 523022 a-Alanine, conf. I
429882.3981 0.2076 -5.1286 3 321.2604321 89502 303533123 523023 a-Alanine, conf. I
429885.0692 1.2485 -4.4983 3 367.6647363 89502 303602436 592337 a-Alanine, conf. I
429919.0196 1.7977 -5.5132 3 195.7179267 89502 303441926 431627 a-Alanine, conf. I
429944.8292 0.9915 -5.5161 3 786.5092477 89502 303795425 785424 a-Alanine, conf. I
429944.8292 0.9915 -5.5161 3 786.5092477 89502 303795426 785425 a-Alanine, conf. I
429962.9384 0.7966 -4.9140 3 594.5890465 89502 303772652 762651 a-Alanine, conf. I
429973.3454 2.2377 -4.7589 3 580.2466459 89502 303762651 752550 a-Alanine, conf. I
430052.0623 0.8101 -4.9764 3 670.3291537 89502 30389 980 88 979 a-Alanine, conf. I
430052.0623 0.8101 -4.4065 3 670.3291537 89502 30389 980 881079 a-Alanine, conf. I
430052.0623 0.8101 -4.4065 3 670.3291537 89502 303891080 88 979 a-Alanine, conf. I
430052.0623 0.8101 -4.9764 3 670.3291537 89502 303891080 881079 a-Alanine, conf. I
430104.3375 3.4941 -4.8456 3 556.6607447 89502 303742747 732746 a-Alanine, conf. I
430154.0646 1.0190 -5.4847 3 778.2437477 89502 303795326 785325 a-Alanine, conf. I
430154.0646 1.0190 -5.4847 3 778.2437477 89502 303795327 785326 a-Alanine, conf. I
430157.2586 0.8012 -4.6939 3 605.0138471 89502 303782454 772553 a-Alanine, conf. I
430197.5319 2.5642 -5.2354 3 370.3211369 89502 303612041 601941 a-Alanine, conf. I
430207.3531 0.7733 -5.6479 3 260.2072345 89502 30357 453 56 353 a-Alanine, conf. I
430207.3531 0.7733 -5.6479 3 260.2072345 89502 30357 553 56 453 a-Alanine, conf. I
430261.1389 0.2226 -5.1394 3 326.5473327 89502 303543024 532924 a-Alanine, conf. I
430261.1389 0.2226 -4.1335 3 326.5473327 89502 303543024 532925 a-Alanine, conf. I
430261.1389 0.2226 -4.1335 3 326.5473327 89502 303543025 532924 a-Alanine, conf. I
430261.1389 0.2226 -5.1394 3 326.5473327 89502 303543025 532925 a-Alanine, conf. I
430267.8581 6.2317 -4.7902 3 538.0852441 89502 303732648 722547 a-Alanine, conf. I
430272.1464 0.7837 -4.9289 3 605.0138471 89502 303782554 772553 a-Alanine, conf. I
430320.5168 0.1484 -5.0552 3 300.6883279 89502 3034639 7 4538 7 a-Alanine, conf. I
430320.5168 0.1484 -3.9194 3 300.6883279 89502 3034639 7 4538 8 a-Alanine, conf. I
430320.5168 0.1484 -3.9194 3 300.6883279 89502 3034639 8 4538 7 a-Alanine, conf. I
430320.5168 0.1484 -5.0552 3 300.6883279 89502 3034639 8 4538 8 a-Alanine, conf. I
430357.7107 0.2660 -4.2595 3 344.9213345 89502 303572731 562630 a-Alanine, conf. I
430358.1956 0.2661 -5.1733 3 344.9213345 89502 303572730 562630 a-Alanine, conf. I
430359.8081 0.2663 -5.1733 3 344.9213345 89502 303572731 562631 a-Alanine, conf. I
430360.2929 0.2664 -4.2595 3 344.9213345 89502 303572730 562631 a-Alanine, conf. I
430361.0312 1.8715 -4.9062 3 587.1425459 89502 303762849 752848 a-Alanine, conf. I
430377.8873 1.0512 -5.4543 3 770.1435477 89502 303795227 785226 a-Alanine, conf. I
430377.8873 1.0512 -5.4543 3 770.1435477 89502 303795228 785227 a-Alanine, conf. I
430378.3642 0.7773 -4.9286 3 605.0064471 89502 303782454 772453 a-Alanine, conf. I
430473.0045 0.6698 -4.9567 3 249.3505303 89502 303501932 491633 a-Alanine, conf. I
430490.1025 1.7930 -5.1018 3 660.4192471 89502 303783841 773840 a-Alanine, conf. I
430490.1026 1.7930 -5.1018 3 660.4192471 89502 303783840 773839 a-Alanine, conf. I
430493.2521 0.7780 -4.6932 3 605.0064471 89502 303782554 772453 a-Alanine, conf. I
430510.2055 0.2382 -4.1701 3 332.2408333 89502 303552927 542826 a-Alanine, conf. I
430510.2059 0.2382 -5.1504 3 332.2408333 89502 303552926 542826 a-Alanine, conf. I
430510.2075 0.2382 -5.1504 3 332.2408333 89502 303552927 542827 a-Alanine, conf. I
430510.2078 0.2382 -4.1701 3 332.2408333 89502 303552926 542827 a-Alanine, conf. I
430519.6407 0.8178 -4.5473 3 637.8593495 89502 303821963 812062 a-Alanine, conf. I
430519.6408 0.8178 -4.9671 3 637.8593495 89502 303821963 811962 a-Alanine, conf. I
430519.6408 0.8178 -4.9671 3 637.8593495 89502 303822063 812062 a-Alanine, conf. I
430519.6409 0.8178 -4.5473 3 637.8593495 89502 303822063 811962 a-Alanine, conf. I
430534.3381 1.0560 -4.9705 3 679.7992555 89502 30392 587 91 586 a-Alanine, conf. I
430534.3381 1.0560 -4.3660 3 679.7992555 89502 30392 587 91 686 a-Alanine, conf. I
430534.3381 1.0560 -4.3660 3 679.7992555 89502 30392 687 91 586 a-Alanine, conf. I
430534.3381 1.0560 -4.9705 3 679.7992555 89502 30392 687 91 686 a-Alanine, conf. I
430573.4148 0.2535 -4.2116 3 338.3576339 89502 303562829 552728 a-Alanine, conf. I
430573.4302 0.2535 -5.1617 3 338.3576339 89502 303562828 552728 a-Alanine, conf. I
430573.4882 0.2535 -5.1617 3 338.3576339 89502 303562829 552729 a-Alanine, conf. I
430573.5035 0.2535 -4.2116 3 338.3576339 89502 303562828 552729 a-Alanine, conf. I
430617.5795 1.0877 -5.4248 3 762.2095477 89502 303795128 785127 a-Alanine, conf. I
430617.5795 1.0877 -5.4248 3 762.2095477 89502 303795129 785128 a-Alanine, conf. I
430644.6487 0.7929 -4.9803 3 664.4354525 89502 303871275 861274 a-Alanine, conf. I
430644.6487 0.7929 -4.4431 3 664.4354525 89502 303871275 861374 a-Alanine, conf. I
430644.6487 0.7929 -4.4431 3 664.4354525 89502 303871375 861274 a-Alanine, conf. I
430644.6487 0.7929 -4.9803 3 664.4354525 89502 303871375 861374 a-Alanine, conf. I
430651.7937 1.0584 -5.2617 3 330.9990357 89502 303591544 581444 a-Alanine, conf. I
430652.0685 1.0583 -5.2617 3 330.9990357 89502 303591644 581544 a-Alanine, conf. I
430686.9787 1.6565 -4.9582 3 685.6552573 89502 30395 194 94 193 a-Alanine, conf. I
430686.9787 1.6565 -4.3266 3 685.6552573 89502 30395 194 94 293 a-Alanine, conf. I
430686.9787 1.6565 -4.3266 3 685.6552573 89502 30395 294 94 193 a-Alanine, conf. I
430686.9787 1.6565 -4.9582 3 685.6552573 89502 30395 294 94 293 a-Alanine, conf. I
430716.0484 1.1686 -5.6539 3 174.7219255 89502 303421725 411428 a-Alanine, conf. I
430806.9872 0.7992 -4.6515 3 615.0610477 89502 303792356 782455 a-Alanine, conf. I
430814.3219 0.7985 -4.9421 3 615.0610477 89502 303792456 782455 a-Alanine, conf. I
430819.3149 1.6104 -5.2376 3 352.7238363 89502 303601842 591742 a-Alanine, conf. I
430821.8961 0.7980 -4.9421 3 615.0605477 89502 303792356 782355 a-Alanine, conf. I
430829.2308 0.7975 -4.6514 3 615.0605477 89502 303792456 782355 a-Alanine, conf. I
430874.5853 1.1282 -5.3963 3 754.4425477 89502 303795029 785028 a-Alanine, conf. I
430874.5853 1.1282 -5.3963 3 754.4425477 89502 303795030 785029 a-Alanine, conf. I
430917.7791 2.4491 -4.9791 3 616.4839465 89502 303773246 763245 a-Alanine, conf. I
430921.5272 4.1155 -4.9083 3 268.2413315 89502 303521834 511735 a-Alanine, conf. I
430922.3638 1.5738 -5.2374 3 352.7250363 89502 303601942 591842 a-Alanine, conf. I
430966.2988 2.4891 -4.9790 3 616.4854465 89502 303773245 763244 a-Alanine, conf. I
431020.9428 0.1441 -5.0641 3 303.2036285 89502 3034738 9 4637 9 a-Alanine, conf. I
431020.9428 0.1441 -3.9383 3 303.2036285 89502 3034738 9 463710 a-Alanine, conf. I
431020.9428 0.1441 -3.9383 3 303.2036285 89502 303473810 4637 9 a-Alanine, conf. I
431020.9428 0.1441 -5.0641 3 303.2036285 89502 303473810 463710 a-Alanine, conf. I
431053.1869 0.8347 -4.9114 3 594.5063465 89502 303772552 762551 a-Alanine, conf. I
431150.5390 1.1724 -5.3685 3 746.8434477 89502 303794930 784929 a-Alanine, conf. I
431150.5390 1.1724 -5.3685 3 746.8434477 89502 303794931 784930 a-Alanine, conf. I
431175.8156 0.8142 -4.9801 3 656.4998513 89502 303851570 841569 a-Alanine, conf. I
431175.8156 0.8142 -4.4838 3 656.4998513 89502 303851570 841669 a-Alanine, conf. I
431175.8156 0.8142 -4.4838 3 656.4998513 89502 303851670 841569 a-Alanine, conf. I
431175.8156 0.8142 -4.9801 3 656.4998513 89502 303851670 841669 a-Alanine, conf. I
431229.7133 0.5931 -5.3524 3 299.5131351 89502 303581048 57 948 a-Alanine, conf. I
431229.7133 0.5931 -5.3524 3 299.5131351 89502 303581148 571048 a-Alanine, conf. I
431246.5758 1.8881 -5.0819 3 654.9565471 89502 303783742 773741 a-Alanine, conf. I
431246.5776 1.8881 -5.0819 3 654.9565471 89502 303783741 773740 a-Alanine, conf. I
431298.5890 4.1179 -5.2487 3 399.0704381 89502 303632241 622141 a-Alanine, conf. I
431309.1802 0.8494 -4.9795 3 676.6071543 89502 30390 882 89 881 a-Alanine, conf. I
431309.1802 0.8494 -4.3999 3 676.6071543 89502 30390 882 89 981 a-Alanine, conf. I
431309.1802 0.8494 -4.3999 3 676.6071543 89502 30390 982 89 881 a-Alanine, conf. I
431309.1802 0.8494 -4.9795 3 676.6071543 89502 30390 982 89 981 a-Alanine, conf. I
431447.2998 1.2201 -5.3416 3 739.4134477 89502 303794831 784830 a-Alanine, conf. I
431447.2998 1.2201 -5.3416 3 739.4134477 89502 303794832 784831 a-Alanine, conf. I
431605.0550 3.4155 -5.2498 3 413.4570387 89502 303642341 632241 a-Alanine, conf. I
431637.1588 0.8116 -4.6201 3 624.7737483 89502 303802258 792357 a-Alanine, conf. I
431637.5376 0.8116 -4.9538 3 624.7737483 89502 303802358 792357 a-Alanine, conf. I
431637.9638 0.8116 -4.9538 3 624.7737483 89502 303802258 792257 a-Alanine, conf. I
431638.3426 0.8116 -4.6201 3 624.7737483 89502 303802358 792257 a-Alanine, conf. I
431684.5175 3.4485 -5.2420 3 384.6710375 89502 303622141 612041 a-Alanine, conf. I
431707.6453 0.1471 -5.0732 3 306.0740291 89502 303483711 473611 a-Alanine, conf. I
431707.6453 0.1471 -3.9585 3 306.0740291 89502 303483711 473612 a-Alanine, conf. I
431707.6453 0.1471 -3.9585 3 306.0740291 89502 303483712 473611 a-Alanine, conf. I
431707.6453 0.1471 -5.0732 3 306.0740291 89502 303483712 473612 a-Alanine, conf. I
431710.3152 1.1831 -4.9720 3 685.1809561 89502 30393 489 92 488 a-Alanine, conf. I
431710.3152 1.1831 -4.3601 3 685.1809561 89502 30393 489 92 588 a-Alanine, conf. I
431710.3152 1.1831 -4.3601 3 685.1809561 89502 30393 589 92 488 a-Alanine, conf. I
431710.3152 1.1831 -4.9720 3 685.1809561 89502 30393 589 92 588 a-Alanine, conf. I
431743.8810 0.4658 -4.4226 3 370.6695363 89502 303602536 592435 a-Alanine, conf. I
431760.1782 0.8264 -4.9751 3 646.4623501 89502 303831865 821864 a-Alanine, conf. I
431760.1782 0.8264 -4.5320 3 646.4623501 89502 303831865 821964 a-Alanine, conf. I
431760.1782 0.8264 -4.5320 3 646.4623501 89502 303831965 821864 a-Alanine, conf. I
431760.1782 0.8264 -4.9751 3 646.4623501 89502 303831965 821964 a-Alanine, conf. I
431762.8040 1.8757 -4.9583 3 690.1255579 89502 30396 096 95 095 a-Alanine, conf. I
431762.8040 1.8757 -4.3208 3 690.1255579 89502 30396 096 95 195 a-Alanine, conf. I
431762.8040 1.8757 -4.3208 3 690.1255579 89502 30396 196 95 095 a-Alanine, conf. I
431762.8040 1.8757 -4.9583 3 690.1255579 89502 30396 196 95 195 a-Alanine, conf. I
431766.9940 1.2712 -5.3155 3 732.1536477 89502 303794732 784731 a-Alanine, conf. I
431766.9940 1.2712 -5.3155 3 732.1536477 89502 303794733 784732 a-Alanine, conf. I
431917.3244 0.6651 -5.2218 3 183.4620273 89502 303451035 44 936 a-Alanine, conf. I
431917.4503 0.6651 -5.2218 3 183.4620273 89502 303451135 44 836 a-Alanine, conf. I
431942.3322 0.7989 -4.9847 3 671.3949531 89502 303881177 871176 a-Alanine, conf. I
431942.3322 0.7989 -4.4354 3 671.3949531 89502 303881177 871276 a-Alanine, conf. I
431942.3322 0.7989 -4.4354 3 671.3949531 89502 303881277 871176 a-Alanine, conf. I
431942.3322 0.7989 -4.9847 3 671.3949531 89502 303881277 871276 a-Alanine, conf. I
432086.3251 0.3250 -5.2471 3 415.4094387 89502 303642440 632340 a-Alanine, conf. I
432099.4931 1.9945 -5.0625 3 649.6956471 89502 303783643 773642 a-Alanine, conf. I
432099.5123 1.9945 -5.0625 3 649.6956471 89502 303783642 773641 a-Alanine, conf. I
432112.0691 1.3256 -5.2901 3 725.0655477 89502 303794633 784632 a-Alanine, conf. I
432112.0691 1.3256 -5.2901 3 725.0655477 89502 303794634 784633 a-Alanine, conf. I
432175.1107 0.3460 -5.2069 3 370.6695363 89502 303602535 592435 a-Alanine, conf. I
432282.1726 1.9123 -5.2316 3 370.3531369 89502 303612141 602041 a-Alanine, conf. I
432285.1452 0.5738 -5.2176 3 378.9960369 89502 303612438 602338 a-Alanine, conf. I
432324.6218 0.9143 -4.8620 3 568.8026453 89502 303752649 742648 a-Alanine, conf. I
432341.4014 4.7066 -4.8769 3 573.4318453 89502 303752847 742846 a-Alanine, conf. I
432376.2407 0.1550 -5.0826 3 309.3028297 89502 303493613 483513 a-Alanine, conf. I
432376.2407 0.1550 -3.9799 3 309.3028297 89502 303493613 483514 a-Alanine, conf. I
432376.2407 0.1550 -3.9799 3 309.3028297 89502 303493614 483513 a-Alanine, conf. I
432376.2407 0.1550 -5.0826 3 309.3028297 89502 303493614 483514 a-Alanine, conf. I
432442.8937 1.4956 -4.7523 3 594.5063465 89502 303772652 762551 a-Alanine, conf. I
432485.3620 1.3833 -5.2655 3 718.1504477 89502 303794534 784533 a-Alanine, conf. I
432485.3620 1.3833 -5.2655 3 718.1504477 89502 303794535 784534 a-Alanine, conf. I
432487.2512 0.8150 -4.9858 3 664.1503519 89502 303861472 851471 a-Alanine, conf. I
432487.2512 0.8150 -4.4741 3 664.1503519 89502 303861472 851571 a-Alanine, conf. I
432487.2512 0.8150 -4.4741 3 664.1503519 89502 303861572 851471 a-Alanine, conf. I
432487.2512 0.8150 -4.9858 3 664.1503519 89502 303861572 851571 a-Alanine, conf. I
432496.6234 5.9806 -4.6964 3 442.4206399 89502 303662542 652441 a-Alanine, conf. I
432511.1982 0.5705 -5.3819 3 294.8055351 89502 30358 949 57 849 a-Alanine, conf. I
432511.1982 0.5705 -5.3819 3 294.8055351 89502 303581049 57 949 a-Alanine, conf. I
432546.7645 0.9083 -4.9823 3 682.6721549 89502 30391 784 90 783 a-Alanine, conf. I
432546.7645 0.9083 -4.3936 3 682.6721549 89502 30391 784 90 883 a-Alanine, conf. I
432546.7645 0.9083 -4.3936 3 682.6721549 89502 30391 884 90 783 a-Alanine, conf. I
432546.7645 0.9083 -4.9823 3 682.6721549 89502 30391 884 90 883 a-Alanine, conf. I
432624.6053 0.9338 -5.2755 3 326.9684357 89502 303591445 581345 a-Alanine, conf. I
432624.6277 0.9338 -5.2755 3 326.9684357 89502 303591545 581445 a-Alanine, conf. I
432643.3533 2.6380 -4.9613 3 612.3434465 89502 303773147 763146 a-Alanine, conf. I
432644.8559 0.8234 -4.5953 3 634.1891489 89502 303812160 802259 a-Alanine, conf. I
432644.8721 0.8234 -4.9642 3 634.1891489 89502 303812260 802259 a-Alanine, conf. I
432644.8918 0.8234 -4.9642 3 634.1891489 89502 303812160 802159 a-Alanine, conf. I
432644.9080 0.8234 -4.5953 3 634.1891489 89502 303812260 802159 a-Alanine, conf. I
432851.8099 0.2460 -5.0261 3 301.7391261 89502 3034343 0 4242 0 a-Alanine, conf. I
432851.8099 0.2460 -3.8605 3 301.7391261 89502 3034343 0 4242 1 a-Alanine, conf. I
432851.8099 0.2460 -3.8605 3 301.7391261 89502 3034343 1 4242 0 a-Alanine, conf. I
432851.8099 0.2460 -5.0261 3 301.7391261 89502 3034343 1 4242 1 a-Alanine, conf. I
432859.7699 1.6393 -4.9199 3 246.8603303 89502 303501833 491534 a-Alanine, conf. I
432860.8845 1.3351 -4.9733 3 690.3462567 89502 30394 391 93 390 a-Alanine, conf. I
432860.8845 1.3351 -4.3543 3 690.3462567 89502 30394 391 93 490 a-Alanine, conf. I
432860.8845 1.3351 -4.3543 3 690.3462567 89502 30394 491 93 390 a-Alanine, conf. I
432860.8845 1.3351 -4.9733 3 690.3462567 89502 30394 491 93 490 a-Alanine, conf. I
432890.1864 1.4445 -5.2416 3 711.4103477 89502 303794435 784434 a-Alanine, conf. I
432890.1864 1.4445 -5.2416 3 711.4103477 89502 303794436 784435 a-Alanine, conf. I
432929.5043 0.4850 -5.3920 3 169.0210267 89502 30344 836 43 737 a-Alanine, conf. I
432929.5054 0.4850 -5.3920 3 169.0210267 89502 30344 936 43 637 a-Alanine, conf. I
432949.4166 2.8679 -4.9606 3 612.3541465 89502 303773146 763145 a-Alanine, conf. I
432956.5439 0.4580 -5.6288 3 154.5792261 89502 30343 637 42 538 a-Alanine, conf. I
432956.5439 0.4580 -5.6288 3 154.5792261 89502 30343 737 42 438 a-Alanine, conf. I
433020.9507 0.1659 -5.0923 3 312.8936303 89502 303503515 493415 a-Alanine, conf. I
433020.9507 0.1659 -4.0027 3 312.8936303 89502 303503515 493416 a-Alanine, conf. I
433020.9507 0.1659 -4.0027 3 312.8936303 89502 303503516 493415 a-Alanine, conf. I
433020.9507 0.1659 -5.0923 3 312.8936303 89502 303503516 493416 a-Alanine, conf. I
433035.2227 0.8329 -4.9825 3 654.8296507 89502 303841767 831766 a-Alanine, conf. I
433035.2227 0.8329 -4.5188 3 654.8296507 89502 303841767 831866 a-Alanine, conf. I
433035.2227 0.8329 -4.5188 3 654.8296507 89502 303841867 831766 a-Alanine, conf. I
433035.2227 0.8329 -4.9825 3 654.8296507 89502 303841867 831866 a-Alanine, conf. I
433059.1913 0.2838 -5.5993 3 176.8402255 89502 303421824 411527 a-Alanine, conf. I
433071.5456 2.1160 -5.0436 3 644.6439471 89502 303783544 773543 a-Alanine, conf. I
433071.7380 2.1162 -5.0436 3 644.6439471 89502 303783543 773542 a-Alanine, conf. I
433094.3428 1.1434 -5.0446 3 209.1327285 89502 303471334 461235 a-Alanine, conf. I
433127.6579 0.3017 -5.2051 3 370.6234363 89502 303602536 592436 a-Alanine, conf. I
433134.7356 1.1361 -5.0445 3 209.1327285 89502 303471434 461135 a-Alanine, conf. I
433227.2628 0.8126 -4.9887 3 678.1410537 89502 303891079 881078 a-Alanine, conf. I
433227.2628 0.8126 -4.4282 3 678.1410537 89502 303891079 881178 a-Alanine, conf. I
433227.2628 0.8126 -4.4282 3 678.1410537 89502 303891179 881078 a-Alanine, conf. I
433227.2628 0.8126 -4.9887 3 678.1410537 89502 303891179 881178 a-Alanine, conf. I
433330.4484 1.5093 -5.2183 3 704.8470477 89502 303794336 784335 a-Alanine, conf. I
433330.4484 1.5093 -5.2183 3 704.8470477 89502 303794337 784336 a-Alanine, conf. I
433456.0847 1.0829 -4.7530 3 608.9310471 89502 303782553 772652 a-Alanine, conf. I
433523.3729 1.0264 -4.9147 3 598.1223465 89502 303772751 762750 a-Alanine, conf. I
433558.8876 0.3958 -4.4196 3 370.6234363 89502 303602535 592436 a-Alanine, conf. I
433576.0959 5.8940 -4.7909 3 326.6991345 89502 303572136 562037 a-Alanine, conf. I
433578.2578 0.2082 -5.0340 3 303.0422267 89502 3034442 2 4341 2 a-Alanine, conf. I
433578.2578 0.2082 -3.8759 3 303.0422267 89502 3034442 2 4341 3 a-Alanine, conf. I
433578.2578 0.2082 -3.8759 3 303.0422267 89502 3034442 3 4341 2 a-Alanine, conf. I
433578.2578 0.2082 -5.0340 3 303.0422267 89502 3034442 3 4341 3 a-Alanine, conf. I
433614.0237 1.5835 -5.5948 3 187.3627261 89502 303431925 421626 a-Alanine, conf. I
433634.0990 0.1783 -5.1022 3 316.8510309 89502 303513417 503317 a-Alanine, conf. I
433634.0990 0.1783 -4.0272 3 316.8510309 89502 303513417 503318 a-Alanine, conf. I
433634.0990 0.1783 -4.0272 3 316.8510309 89502 303513418 503317 a-Alanine, conf. I
433634.0990 0.1783 -5.1022 3 316.8510309 89502 303513418 503318 a-Alanine, conf. I
433706.8343 0.5763 -5.4167 3 289.9537351 89502 30358 850 57 750 a-Alanine, conf. I
433706.8343 0.5763 -5.4167 3 289.9537351 89502 30358 950 57 850 a-Alanine, conf. I
433729.1709 4.4582 -4.9100 3 590.7385459 89502 303762947 752946 a-Alanine, conf. I
433754.7216 7.4595 -4.7967 3 524.2245435 89502 303722647 712546 a-Alanine, conf. I
433762.9800 0.9898 -4.9847 3 688.5235555 89502 30392 686 91 685 a-Alanine, conf. I
433762.9800 0.9898 -4.3876 3 688.5235555 89502 30392 686 91 785 a-Alanine, conf. I
433762.9800 0.9898 -4.3876 3 688.5235555 89502 30392 786 91 685 a-Alanine, conf. I
433762.9800 0.9898 -4.9847 3 688.5235555 89502 30392 786 91 785 a-Alanine, conf. I
433768.4707 1.3919 -5.2455 3 349.1438363 89502 303601743 591643 a-Alanine, conf. I
433768.6615 0.8344 -4.5751 3 643.3321495 89502 303822062 812161 a-Alanine, conf. I
433768.6621 0.8344 -4.9738 3 643.3321495 89502 303822162 812161 a-Alanine, conf. I
433768.6628 0.8344 -4.9738 3 643.3321495 89502 303822062 812061 a-Alanine, conf. I
433768.6634 0.8344 -4.5751 3 643.3321495 89502 303822162 812061 a-Alanine, conf. I
433781.2486 1.3871 -5.2455 3 349.1440363 89502 303601843 591743 a-Alanine, conf. I
433797.3006 0.8154 -4.9912 3 671.5831525 89502 303871374 861373 a-Alanine, conf. I
433797.3006 0.8154 -4.4653 3 671.5831525 89502 303871374 861473 a-Alanine, conf. I
433797.3006 0.8154 -4.4653 3 671.5831525 89502 303871474 861373 a-Alanine, conf. I
433797.3006 0.8154 -4.9912 3 671.5831525 89502 303871474 861473 a-Alanine, conf. I
433810.7992 1.5781 -5.1957 3 698.4629477 89502 303794237 784236 a-Alanine, conf. I
433810.7992 1.5781 -5.1957 3 698.4629477 89502 303794238 784237 a-Alanine, conf. I
433817.1946 3.3201 -4.8435 3 612.5831471 89502 303782652 772751 a-Alanine, conf. I
433984.8378 1.5116 -4.9742 3 695.2936573 89502 30395 293 94 292 a-Alanine, conf. I
433984.8378 1.5116 -4.3487 3 695.2936573 89502 30395 293 94 392 a-Alanine, conf. I
433984.8378 1.5116 -4.3487 3 695.2936573 89502 30395 393 94 292 a-Alanine, conf. I
433984.8378 1.5116 -4.9742 3 695.2936573 89502 30395 393 94 392 a-Alanine, conf. I
434194.6701 2.2585 -5.0251 3 639.8112471 89502 303783445 773444 a-Alanine, conf. I
434196.3974 2.2601 -5.0251 3 639.8112471 89502 303783444 773443 a-Alanine, conf. I
434205.3756 0.1917 -5.1124 3 321.1806315 89502 303523319 513219 a-Alanine, conf. I
434205.3756 0.1917 -4.0535 3 321.1806315 89502 303523319 513220 a-Alanine, conf. I
434205.3756 0.1917 -4.0535 3 321.1806315 89502 303523320 513219 a-Alanine, conf. I
434205.3756 0.1917 -5.1124 3 321.1806315 89502 303523320 513220 a-Alanine, conf. I
434218.4437 0.8065 -4.9297 3 608.9310471 89502 303782653 772652 a-Alanine, conf. I
434299.6359 0.1794 -5.0421 3 304.6925273 89502 3034541 4 4440 4 a-Alanine, conf. I
434299.6359 0.1794 -3.8922 3 304.6925273 89502 3034541 4 4440 5 a-Alanine, conf. I
434299.6359 0.1794 -3.8922 3 304.6925273 89502 3034541 5 4440 4 a-Alanine, conf. I
434299.6359 0.1794 -5.0421 3 304.6925273 89502 3034541 5 4440 5 a-Alanine, conf. I
434331.0994 0.8371 -4.9894 3 662.9679513 89502 303851669 841668 a-Alanine, conf. I
434331.0994 0.8371 -4.5073 3 662.9679513 89502 303851669 841768 a-Alanine, conf. I
434331.0994 0.8371 -4.5073 3 662.9679513 89502 303851769 841668 a-Alanine, conf. I
434331.0994 0.8371 -4.9894 3 662.9679513 89502 303851769 841768 a-Alanine, conf. I
434336.8428 1.6514 -5.1738 3 692.2606477 89502 303794138 784137 a-Alanine, conf. I
434336.8428 1.6514 -5.1738 3 692.2606477 89502 303794139 784138 a-Alanine, conf. I
434398.2542 0.8259 -5.2916 3 322.7702357 89502 303591346 581246 a-Alanine, conf. I
434398.2558 0.8259 -5.2916 3 322.7702357 89502 303591446 581346 a-Alanine, conf. I
434423.3531 7.5815 -4.9610 3 630.7353477 89502 303792752 782851 a-Alanine, conf. I
434426.2364 0.2765 -4.3398 3 362.7987357 89502 303592634 582533 a-Alanine, conf. I
434452.6755 0.2785 -5.1921 3 362.7987357 89502 303592633 582533 a-Alanine, conf. I
434481.8027 0.8183 -4.6952 3 619.3661477 89502 303792455 782554 a-Alanine, conf. I
434496.6368 0.8382 -4.9924 3 684.6740543 89502 30390 981 89 980 a-Alanine, conf. I
434496.6368 0.8382 -4.4216 3 684.6740543 89502 30390 981 891080 a-Alanine, conf. I
434496.6368 0.8382 -4.4216 3 684.6740543 89502 303901081 89 980 a-Alanine, conf. I
434496.6368 0.8382 -4.9924 3 684.6740543 89502 303901081 891080 a-Alanine, conf. I
434498.4802 2.7038 -4.9440 3 608.4824465 89502 303773048 763047 a-Alanine, conf. I
434524.7445 0.2850 -5.1920 3 362.7954357 89502 303592634 582534 a-Alanine, conf. I
434540.6950 0.8107 -4.9445 3 619.3661477 89502 303792555 782554 a-Alanine, conf. I
434551.1836 0.2886 -4.3396 3 362.7954357 89502 303592633 582534 a-Alanine, conf. I
434596.6906 0.8068 -4.9444 3 619.3623477 89502 303792455 782454 a-Alanine, conf. I
434655.5829 0.8044 -4.6948 3 619.3623477 89502 303792555 782454 a-Alanine, conf. I
434706.1132 0.9744 -5.6538 3 835.5290483 89502 303805822 795821 a-Alanine, conf. I
434706.1132 0.9744 -5.6538 3 835.5290483 89502 303805823 795822 a-Alanine, conf. I
434720.7261 0.2059 -5.1228 3 325.8890321 89502 303533221 523121 a-Alanine, conf. I
434720.7261 0.2059 -4.0820 3 325.8890321 89502 303533221 523122 a-Alanine, conf. I
434720.7261 0.2059 -4.0820 3 325.8890321 89502 303533222 523121 a-Alanine, conf. I
434720.7261 0.2059 -5.1228 3 325.8890321 89502 303533222 523122 a-Alanine, conf. I
434827.7170 0.6089 -5.4583 3 284.9603351 89502 30358 751 57 651 a-Alanine, conf. I
434827.7170 0.6089 -5.4583 3 284.9603351 89502 30358 851 57 751 a-Alanine, conf. I
434845.7916 0.8069 -4.9282 3 608.8847471 89502 303782553 772552 a-Alanine, conf. I
434873.9986 0.9844 -5.6187 3 826.6140483 89502 303805723 795722 a-Alanine, conf. I
434873.9986 0.9844 -5.6187 3 826.6140483 89502 303805724 795723 a-Alanine, conf. I
434915.4248 1.7300 -5.1524 3 686.2433477 89502 303794040 784039 a-Alanine, conf. I
434915.4249 1.7300 -5.1524 3 686.2433477 89502 303794039 784038 a-Alanine, conf. I
434956.2066 1.0957 -4.9868 3 694.1602561 89502 30393 588 92 587 a-Alanine, conf. I
434956.2066 1.0957 -4.3819 3 694.1602561 89502 30393 588 92 687 a-Alanine, conf. I
434956.2066 1.0957 -4.3819 3 694.1602561 89502 30393 688 92 587 a-Alanine, conf. I
434956.2066 1.0957 -4.9868 3 694.1602561 89502 30393 688 92 687 a-Alanine, conf. I
434967.7187 0.8443 -4.9826 3 652.2199501 89502 303831964 821963 a-Alanine, conf. I
434967.7187 0.8443 -4.5582 3 652.2199501 89502 303831964 822063 a-Alanine, conf. I
434967.7187 0.8443 -4.5582 3 652.2199501 89502 303832064 821963 a-Alanine, conf. I
434967.7187 0.8443 -4.9826 3 652.2199501 89502 303832064 822063 a-Alanine, conf. I
435014.2827 0.1602 -5.0505 3 306.6919279 89502 3034640 6 4539 6 a-Alanine, conf. I
435014.2827 0.1602 -3.9095 3 306.6919279 89502 3034640 6 4539 7 a-Alanine, conf. I
435014.2827 0.1602 -3.9095 3 306.6919279 89502 3034640 7 4539 6 a-Alanine, conf. I
435014.2827 0.1602 -5.0505 3 306.6919279 89502 3034640 7 4539 7 a-Alanine, conf. I
435052.9859 1.0002 -5.5849 3 817.8622483 89502 303805624 795623 a-Alanine, conf. I
435052.9859 1.0002 -5.5849 3 817.8622483 89502 303805625 795624 a-Alanine, conf. I
435081.0660 1.7120 -4.9748 3 700.0213579 89502 30396 195 95 194 a-Alanine, conf. I
435081.0660 1.7120 -4.3431 3 700.0213579 89502 30396 195 95 294 a-Alanine, conf. I
435081.0660 1.7120 -4.3431 3 700.0213579 89502 30396 295 95 194 a-Alanine, conf. I
435081.0660 1.7120 -4.9748 3 700.0213579 89502 30396 295 95 294 a-Alanine, conf. I
435101.0990 0.8176 -4.9962 3 678.8002531 89502 303881276 871275 a-Alanine, conf. I
435101.0990 0.8176 -4.4574 3 678.8002531 89502 303881276 871375 a-Alanine, conf. I
435101.0990 0.8176 -4.4574 3 678.8002531 89502 303881376 871275 a-Alanine, conf. I
435101.0990 0.8176 -4.9962 3 678.8002531 89502 303881376 871375 a-Alanine, conf. I
435143.5465 0.7968 -4.4569 3 382.0041369 89502 303612537 602436 a-Alanine, conf. I
435151.5149 0.8261 -4.6567 3 629.4314483 89502 303802357 792456 a-Alanine, conf. I
435152.8536 4.0287 -4.6315 3 364.8823363 89502 303602337 592238 a-Alanine, conf. I
435155.0867 0.8258 -4.9577 3 629.4314483 89502 303802457 792456 a-Alanine, conf. I
435158.8496 0.8255 -4.9577 3 629.4312483 89502 303802357 792356 a-Alanine, conf. I
435160.6102 0.2208 -5.1336 3 330.9846327 89502 303543123 533023 a-Alanine, conf. I
435160.6102 0.2208 -4.1130 3 330.9846327 89502 303543123 533024 a-Alanine, conf. I
435160.6102 0.2208 -4.1130 3 330.9846327 89502 303543124 533023 a-Alanine, conf. I
435160.6102 0.2208 -5.1336 3 330.9846327 89502 303543124 533024 a-Alanine, conf. I
435162.4214 0.8253 -4.6567 3 629.4312483 89502 303802457 792356 a-Alanine, conf. I
435176.2203 1.2771 -4.8828 3 583.2234459 89502 303762650 752649 a-Alanine, conf. I
435243.9409 1.0215 -5.5521 3 809.2742483 89502 303805525 795524 a-Alanine, conf. I
435243.9409 1.0215 -5.5521 3 809.2742483 89502 303805526 795525 a-Alanine, conf. I
435336.1461 0.2785 -4.2785 3 355.5104351 89502 303582732 572631 a-Alanine, conf. I
435337.3428 0.2787 -5.1794 3 355.5104351 89502 303582731 572631 a-Alanine, conf. I
435341.1618 0.2792 -5.1794 3 355.5103351 89502 303582732 572632 a-Alanine, conf. I
435342.3585 0.2794 -4.2785 3 355.5103351 89502 303582731 572632 a-Alanine, conf. I
435365.2801 1.9265 -5.2375 3 367.0944369 89502 303611942 601842 a-Alanine, conf. I
435447.8255 1.0481 -5.5203 3 800.8506483 89502 303805426 795425 a-Alanine, conf. I
435447.8255 1.0481 -5.5203 3 800.8506483 89502 303805427 795426 a-Alanine, conf. I
435497.1355 0.2364 -5.1445 3 336.4782333 89502 303553025 542925 a-Alanine, conf. I
435497.1355 0.2364 -4.1471 3 336.4782333 89502 303553026 542925 a-Alanine, conf. I
435497.1356 0.2364 -4.1471 3 336.4782333 89502 303553025 542926 a-Alanine, conf. I
435497.1356 0.2364 -5.1445 3 336.4782333 89502 303553026 542926 a-Alanine, conf. I
435513.8138 2.4293 -5.0069 3 635.2101471 89502 303783346 773345 a-Alanine, conf. I
435527.5763 2.4417 -5.0068 3 635.2106471 89502 303783345 773344 a-Alanine, conf. I
435555.0440 1.8149 -5.1316 3 680.4145477 89502 303793940 783939 a-Alanine, conf. I
435555.0440 1.8149 -5.1316 3 680.4145477 89502 303793941 783940 a-Alanine, conf. I
435608.1506 1.0789 -4.7481 3 608.8847471 89502 303782653 772552 a-Alanine, conf. I
435637.8231 0.8391 -4.9958 3 670.8823519 89502 303861571 851570 a-Alanine, conf. I
435637.8231 0.8391 -4.4970 3 670.8823519 89502 303861571 851670 a-Alanine, conf. I
435637.8231 0.8391 -4.4970 3 670.8823519 89502 303861671 851570 a-Alanine, conf. I
435637.8231 0.8391 -4.9958 3 670.8823519 89502 303861671 851670 a-Alanine, conf. I
435665.7118 1.0795 -5.4895 3 792.5921483 89502 303805327 795326 a-Alanine, conf. I
435665.7118 1.0795 -5.4895 3 792.5921483 89502 303805328 795327 a-Alanine, conf. I
435672.0566 0.2675 -4.2282 3 348.7188345 89502 303572830 562729 a-Alanine, conf. I
435672.0978 0.2675 -5.1674 3 348.7188345 89502 303572829 562729 a-Alanine, conf. I
435672.2478 0.2675 -5.1674 3 348.7188345 89502 303572830 562730 a-Alanine, conf. I
435672.2890 0.2675 -4.2282 3 348.7188345 89502 303572829 562730 a-Alanine, conf. I
435689.0375 0.2524 -4.1851 3 342.3834339 89502 303562928 552827 a-Alanine, conf. I
435689.0386 0.2524 -5.1558 3 342.3834339 89502 303562927 552827 a-Alanine, conf. I
435689.0430 0.2524 -5.1558 3 342.3834339 89502 303562928 552828 a-Alanine, conf. I
435689.0441 0.2524 -4.1851 3 342.3834339 89502 303562927 552828 a-Alanine, conf. I
435705.1704 1.4724 -5.2291 3 387.6977375 89502 303622340 612240 a-Alanine, conf. I
435713.2813 1.6761 -4.9188 3 601.4978465 89502 303772850 762849 a-Alanine, conf. I
435720.0324 0.1508 -5.0592 3 309.0425285 89502 3034739 8 4638 8 a-Alanine, conf. I
435720.0324 0.1508 -3.9278 3 309.0425285 89502 3034739 8 4638 9 a-Alanine, conf. I
435720.0324 0.1508 -3.9278 3 309.0425285 89502 3034739 9 4638 8 a-Alanine, conf. I
435720.0324 0.1508 -5.0592 3 309.0425285 89502 3034739 9 4638 9 a-Alanine, conf. I
435732.5845 1.7961 -5.2368 3 367.0990369 89502 303612042 601942 a-Alanine, conf. I
435748.0744 0.8800 -4.9957 3 690.9940549 89502 30391 883 90 882 a-Alanine, conf. I
435748.0744 0.8800 -4.4153 3 690.9940549 89502 30391 883 90 982 a-Alanine, conf. I
435748.0744 0.8800 -4.4153 3 690.9940549 89502 30391 983 90 882 a-Alanine, conf. I
435748.0744 0.8800 -4.9957 3 690.9940549 89502 30391 983 90 982 a-Alanine, conf. I
435870.5138 2.3942 -4.9289 3 604.8943465 89502 303772949 762948 a-Alanine, conf. I
435882.9187 0.6640 -5.5087 3 279.8276351 89502 30358 652 57 552 a-Alanine, conf. I
435882.9187 0.6640 -5.5087 3 279.8276351 89502 30358 752 57 652 a-Alanine, conf. I
435898.7991 1.1153 -5.4597 3 784.4994483 89502 303805228 795227 a-Alanine, conf. I
435898.7991 1.1153 -5.4597 3 784.4994483 89502 303805229 795228 a-Alanine, conf. I
436006.0148 0.4968 -5.2156 3 382.0041369 89502 303612536 602436 a-Alanine, conf. I
436011.3399 0.7355 -5.3102 3 318.4114357 89502 303591247 581147 a-Alanine, conf. I
436011.3400 0.7355 -5.3102 3 318.4114357 89502 303591347 581247 a-Alanine, conf. I
436027.1472 0.8387 -4.6277 3 639.1716489 89502 303812259 802358 a-Alanine, conf. I
436027.3240 0.8387 -4.9693 3 639.1716489 89502 303812359 802358 a-Alanine, conf. I
436027.5260 0.8387 -4.9693 3 639.1716489 89502 303812259 802258 a-Alanine, conf. I
436027.7028 0.8387 -4.6277 3 639.1716489 89502 303812359 802258 a-Alanine, conf. I
436076.3834 3.7273 -4.9408 3 608.5473465 89502 303773047 763046 a-Alanine, conf. I
436124.9971 1.2267 -4.9886 3 699.5812567 89502 30394 490 93 489 a-Alanine, conf. I
436124.9971 1.2267 -4.3763 3 699.5812567 89502 30394 490 93 589 a-Alanine, conf. I
436124.9971 1.2267 -4.3763 3 699.5812567 89502 30394 590 93 489 a-Alanine, conf. I
436124.9971 1.2267 -4.9886 3 699.5812567 89502 30394 590 93 589 a-Alanine, conf. I
436144.0995 1.3810 -5.0025 3 220.5912291 89502 303481434 471335 a-Alanine, conf. I
436148.4346 1.1554 -5.4308 3 776.5733483 89502 303805129 795128 a-Alanine, conf. I
436148.4346 1.1554 -5.4308 3 776.5733483 89502 303805130 795129 a-Alanine, conf. I
436148.5431 1.9359 -4.9751 3 704.5276585 89502 30397 097 96 096 a-Alanine, conf. I
436148.5431 1.9359 -4.3376 3 704.5276585 89502 30397 097 96 196 a-Alanine, conf. I
436148.5431 1.9359 -4.3376 3 704.5276585 89502 30397 197 96 096 a-Alanine, conf. I
436148.5431 1.9359 -4.9751 3 704.5276585 89502 30397 197 96 196 a-Alanine, conf. I
436215.6924 0.8527 -4.9907 3 660.8643507 89502 303841866 831865 a-Alanine, conf. I
436215.6924 0.8527 -4.5438 3 660.8643507 89502 303841866 831965 a-Alanine, conf. I
436215.6924 0.8527 -4.5438 3 660.8643507 89502 303841966 831865 a-Alanine, conf. I
436215.6924 0.8527 -4.9907 3 660.8643507 89502 303841966 831965 a-Alanine, conf. I
436245.6635 1.2233 -5.2554 3 345.3639363 89502 303601644 591544 a-Alanine, conf. I
436247.0079 1.2228 -5.2554 3 345.3640363 89502 303601744 591644 a-Alanine, conf. I
436266.4583 1.9075 -5.1114 3 674.7788477 89502 303793842 783841 a-Alanine, conf. I
436266.4587 1.9075 -5.1114 3 674.7788477 89502 303793841 783840 a-Alanine, conf. I
436298.4486 1.2864 -5.6607 3 179.2447255 89502 303421924 411625 a-Alanine, conf. I
436313.9057 1.3496 -5.0023 3 220.5910291 89502 303481534 471235 a-Alanine, conf. I
436372.2913 4.7957 -4.6474 3 429.8223393 89502 303652541 642440 a-Alanine, conf. I
436394.4399 0.8070 -5.1559 3 194.5761279 89502 303461135 451036 a-Alanine, conf. I
436394.7188 0.8245 -5.0007 3 685.8029537 89502 303891178 881177 a-Alanine, conf. I
436394.7188 0.8245 -4.4501 3 685.8029537 89502 303891178 881277 a-Alanine, conf. I
436394.7188 0.8245 -4.4501 3 685.8029537 89502 303891278 881177 a-Alanine, conf. I
436394.7188 0.8245 -5.0007 3 685.8029537 89502 303891278 881277 a-Alanine, conf. I
436395.1761 0.8069 -5.1559 3 194.5761279 89502 303461235 45 936 a-Alanine, conf. I
436414.0635 0.1500 -5.0682 3 311.7466291 89502 303483810 473710 a-Alanine, conf. I
436414.0635 0.1500 -3.9471 3 311.7466291 89502 303483810 473711 a-Alanine, conf. I
436414.0635 0.1500 -3.9471 3 311.7466291 89502 303483811 473710 a-Alanine, conf. I
436414.0635 0.1500 -5.0682 3 311.7466291 89502 303483811 473711 a-Alanine, conf. I
436416.1377 1.1992 -5.4027 3 768.8149483 89502 303805030 795029 a-Alanine, conf. I
436416.1377 1.1992 -5.4027 3 768.8149483 89502 303805031 795030 a-Alanine, conf. I
436484.8342 2.5598 -4.8549 3 571.0074453 89502 303752748 742747 a-Alanine, conf. I
436700.9937 1.3605 -5.2536 3 427.8538393 89502 303652441 642341 a-Alanine, conf. I
436703.6305 1.2468 -5.3754 3 761.2250483 89502 303804931 794930 a-Alanine, conf. I
436703.6305 1.2468 -5.3754 3 761.2250483 89502 303804932 794931 a-Alanine, conf. I
436879.9669 0.7362 -5.5712 3 274.5574351 89502 30358 553 57 453 a-Alanine, conf. I
436879.9669 0.7362 -5.5712 3 274.5574351 89502 30358 653 57 553 a-Alanine, conf. I
436947.8614 0.8397 -5.0018 3 678.5765525 89502 303871473 861472 a-Alanine, conf. I
436947.8614 0.8397 -4.4879 3 678.5765525 89502 303871473 861572 a-Alanine, conf. I
436947.8614 0.8397 -4.4879 3 678.5765525 89502 303871573 861472 a-Alanine, conf. I
436947.8614 0.8397 -5.0018 3 678.5765525 89502 303871573 861572 a-Alanine, conf. I
436979.5241 0.9419 -4.9987 3 697.1003555 89502 30392 785 91 784 a-Alanine, conf. I
436979.5241 0.9419 -4.4094 3 697.1003555 89502 30392 785 91 884 a-Alanine, conf. I
436979.5241 0.9419 -4.4094 3 697.1003555 89502 30392 885 91 784 a-Alanine, conf. I
436979.5241 0.9419 -4.9987 3 697.1003555 89502 30392 885 91 884 a-Alanine, conf. I
437012.8752 1.2977 -5.3489 3 753.8049483 89502 303804832 794831 a-Alanine, conf. I
437012.8752 1.2977 -5.3489 3 753.8049483 89502 303804833 794832 a-Alanine, conf. I
437063.6100 2.0099 -5.0917 3 669.3414477 89502 303793743 783742 a-Alanine, conf. I
437063.6142 2.0099 -5.0917 3 669.3414477 89502 303793742 783741 a-Alanine, conf. I
437064.3882 0.8504 -4.6046 3 648.6206495 89502 303822161 812260 a-Alanine, conf. I
437064.3955 0.8504 -4.9799 3 648.6206495 89502 303822261 812260 a-Alanine, conf. I
437064.4045 0.8504 -4.9799 3 648.6206495 89502 303822161 812160 a-Alanine, conf. I
437064.4118 0.8504 -4.6046 3 648.6206495 89502 303822261 812160 a-Alanine, conf. I
437078.4211 2.1099 -4.5444 3 378.9960369 89502 303612437 602338 a-Alanine, conf. I
437082.0028 2.6283 -4.9889 3 630.8578471 89502 303783247 773246 a-Alanine, conf. I
437092.6957 0.1555 -5.0775 3 314.8070297 89502 303493712 483612 a-Alanine, conf. I
437092.6957 0.1555 -3.9677 3 314.8070297 89502 303493712 483613 a-Alanine, conf. I
437092.6957 0.1555 -3.9677 3 314.8070297 89502 303493713 483612 a-Alanine, conf. I
437092.6957 0.1555 -5.0775 3 314.8070297 89502 303493713 483613 a-Alanine, conf. I
437124.6926 1.9458 -5.2336 3 384.7725375 89502 303622241 612141 a-Alanine, conf. I
437157.4932 3.0057 -4.9233 3 256.0706309 89502 303511734 501635 a-Alanine, conf. I
437177.7394 2.7078 -4.9887 3 630.8609471 89502 303783246 773245 a-Alanine, conf. I
437268.0449 1.3829 -4.9900 3 704.7849573 89502 30395 392 94 391 a-Alanine, conf. I
437268.0449 1.3829 -4.3708 3 704.7849573 89502 30395 392 94 491 a-Alanine, conf. I
437268.0449 1.3829 -4.3708 3 704.7849573 89502 30395 492 94 391 a-Alanine, conf. I
437268.0449 1.3829 -4.9900 3 704.7849573 89502 30395 492 94 491 a-Alanine, conf. I
437346.1205 1.3521 -5.3232 3 746.5558483 89502 303804733 794732 a-Alanine, conf. I
437346.1205 1.3521 -5.3232 3 746.5558483 89502 303804734 794733 a-Alanine, conf. I
437491.7525 0.6651 -5.3318 3 313.8974357 89502 303591148 581048 a-Alanine, conf. I
437491.7525 0.6651 -5.3318 3 313.8974357 89502 303591248 581148 a-Alanine, conf. I
437494.7258 0.8589 -4.9983 3 669.2741513 89502 303851768 841767 a-Alanine, conf. I
437494.7258 0.8589 -4.5314 3 669.2741513 89502 303851768 841867 a-Alanine, conf. I
437494.7258 0.8589 -4.5314 3 669.2741513 89502 303851868 841767 a-Alanine, conf. I
437494.7258 0.8589 -4.9983 3 669.2741513 89502 303851868 841867 a-Alanine, conf. I
437605.1838 0.7938 -5.2249 3 390.5207375 89502 303622439 612339 a-Alanine, conf. I
437674.9255 0.8396 -5.0050 3 692.5919543 89502 303901080 891079 a-Alanine, conf. I
437674.9255 0.8396 -4.4434 3 692.5919543 89502 303901080 891179 a-Alanine, conf. I
437674.9255 0.8396 -4.4434 3 692.5919543 89502 303901180 891079 a-Alanine, conf. I
437674.9255 0.8396 -5.0050 3 692.5919543 89502 303901180 891179 a-Alanine, conf. I
437675.0125 1.3821 -4.4966 3 393.5754375 89502 303622538 612437 a-Alanine, conf. I
437705.9599 1.4098 -5.2982 3 739.4792483 89502 303804634 794633 a-Alanine, conf. I
437705.9599 1.4098 -5.2982 3 739.4792483 89502 303804635 794634 a-Alanine, conf. I
437751.1096 0.1651 -5.0871 3 318.2273303 89502 303503614 493514 a-Alanine, conf. I
437751.1096 0.1651 -3.9896 3 318.2273303 89502 303503614 493515 a-Alanine, conf. I
437751.1096 0.1651 -3.9896 3 318.2273303 89502 303503615 493514 a-Alanine, conf. I
437751.1096 0.1651 -5.0871 3 318.2273303 89502 303503615 493515 a-Alanine, conf. I
437771.1876 0.3336 -5.2125 3 381.9165369 89502 303612537 602437 a-Alanine, conf. I
437825.1876 0.8211 -5.6513 3 269.1515351 89502 30358 454 57 354 a-Alanine, conf. I
437825.1876 0.8211 -5.6513 3 269.1515351 89502 30358 554 57 454 a-Alanine, conf. I
437931.6423 1.3349 -4.9033 3 597.7393465 89502 303772651 762650 a-Alanine, conf. I
437965.0950 2.1253 -5.0725 3 664.1089477 89502 303793644 783643 a-Alanine, conf. I
437965.1402 2.1253 -5.0725 3 664.1089477 89502 303793643 783642 a-Alanine, conf. I
437974.5190 0.5713 -5.3029 3 179.9669273 89502 30345 936 44 837 a-Alanine, conf. I
437974.5268 0.5713 -5.3029 3 179.9669273 89502 303451036 44 737 a-Alanine, conf. I
438014.3583 0.9400 -4.9301 3 612.5831471 89502 303782752 772751 a-Alanine, conf. I
438043.0165 0.9401 -4.7488 3 623.4150477 89502 303792554 782653 a-Alanine, conf. I
438095.4070 1.4709 -5.2739 3 732.5766483 89502 303804535 794534 a-Alanine, conf. I
438095.4070 1.4709 -5.2739 3 732.5766483 89502 303804536 794535 a-Alanine, conf. I
438161.1782 1.2137 -4.9277 3 258.7145309 89502 303511933 501634 a-Alanine, conf. I
438189.1930 1.0268 -5.0013 3 702.9923561 89502 30393 687 92 686 a-Alanine, conf. I
438189.1930 1.0268 -4.4037 3 702.9923561 89502 30393 687 92 786 a-Alanine, conf. I
438189.1930 1.0268 -4.4037 3 702.9923561 89502 30393 787 92 686 a-Alanine, conf. I
438189.1930 1.0268 -5.0013 3 702.9923561 89502 30393 787 92 786 a-Alanine, conf. I
438206.4360 0.8615 -4.5856 3 657.8011501 89502 303832063 822162 a-Alanine, conf. I
438206.4362 0.8615 -4.9895 3 657.8011501 89502 303832163 822162 a-Alanine, conf. I
438206.4366 0.8615 -4.9895 3 657.8011501 89502 303832063 822062 a-Alanine, conf. I
438206.4368 0.8615 -4.5856 3 657.8011501 89502 303832163 822062 a-Alanine, conf. I
438255.3722 0.8403 -5.0073 3 686.0530531 89502 303881375 871374 a-Alanine, conf. I
438255.3722 0.8403 -4.4797 3 686.0530531 89502 303881375 871474 a-Alanine, conf. I
438255.3722 0.8403 -4.4797 3 686.0530531 89502 303881475 871374 a-Alanine, conf. I
438255.3722 0.8403 -5.0073 3 686.0530531 89502 303881475 871474 a-Alanine, conf. I
438264.1727 0.2345 -5.0300 3 309.5305267 89502 3034443 1 4342 1 a-Alanine, conf. I
438264.1727 0.2345 -3.8680 3 309.5305267 89502 3034443 1 4342 2 a-Alanine, conf. I
438264.1727 0.2345 -3.8680 3 309.5305267 89502 3034443 2 4342 1 a-Alanine, conf. I
438264.1727 0.2345 -5.0300 3 309.5305267 89502 3034443 2 4342 2 a-Alanine, conf. I
438353.0084 1.6995 -4.9677 3 232.2385297 89502 303491534 481435 a-Alanine, conf. I
438382.9558 0.1770 -5.0969 3 322.0113309 89502 303513516 503416 a-Alanine, conf. I
438382.9558 0.1770 -4.0130 3 322.0113309 89502 303513516 503417 a-Alanine, conf. I
438382.9558 0.1770 -4.0130 3 322.0113309 89502 303513517 503416 a-Alanine, conf. I
438382.9558 0.1770 -5.0969 3 322.0113309 89502 303513517 503417 a-Alanine, conf. I
438384.1590 1.5637 -4.9912 3 709.7698579 89502 30396 294 95 293 a-Alanine, conf. I
438384.1590 1.5637 -4.3654 3 709.7698579 89502 30396 294 95 393 a-Alanine, conf. I
438384.1590 1.5637 -4.3654 3 709.7698579 89502 30396 394 95 293 a-Alanine, conf. I
438384.1590 1.5637 -4.9912 3 709.7698579 89502 30396 394 95 393 a-Alanine, conf. I
438408.4624 1.0800 -5.2671 3 341.3992363 89502 303601545 591445 a-Alanine, conf. I
438408.5841 1.0800 -5.2671 3 341.3992363 89502 303601645 591545 a-Alanine, conf. I
438419.3695 0.4659 -5.5018 3 165.3428267 89502 30344 737 43 638 a-Alanine, conf. I
438419.3696 0.4659 -5.5018 3 165.3428267 89502 30344 837 43 538 a-Alanine, conf. I
438453.6330 0.8265 -4.9459 3 623.4150477 89502 303792654 782653 a-Alanine, conf. I
438517.9921 1.5356 -5.2503 3 725.8500483 89502 303804436 794435 a-Alanine, conf. I
438517.9921 1.5356 -5.2503 3 725.8500483 89502 303804437 794436 a-Alanine, conf. I
438579.0600 3.4719 -4.5938 3 417.4772387 89502 303642540 632439 a-Alanine, conf. I
438633.6559 0.5778 -4.4516 3 381.9165369 89502 303612536 602437 a-Alanine, conf. I
438635.6881 8.1054 -4.7926 3 510.4817429 89502 303712646 702545 a-Alanine, conf. I
438679.2509 5.0608 -4.8933 3 290.4466327 89502 303541935 531836 a-Alanine, conf. I
438792.1403 0.8628 -5.0054 3 677.4556519 89502 303861670 851669 a-Alanine, conf. I
438792.1403 0.8628 -4.5205 3 677.4556519 89502 303861670 851769 a-Alanine, conf. I
438792.1403 0.8628 -4.5205 3 677.4556519 89502 303861770 851669 a-Alanine, conf. I
438792.1403 0.8628 -5.0054 3 677.4556519 89502 303861770 851769 a-Alanine, conf. I
438795.9452 0.8420 -4.6982 3 633.8608483 89502 303802456 792555 a-Alanine, conf. I
438805.3755 0.8163 -4.9451 3 623.3896477 89502 303792554 782553 a-Alanine, conf. I
438825.7612 0.8386 -4.9606 3 633.8608483 89502 303802556 792555 a-Alanine, conf. I
438854.8375 0.8363 -4.9606 3 633.8589483 89502 303802456 792455 a-Alanine, conf. I
438860.4592 0.6187 -5.3570 3 309.2325357 89502 303591049 58 949 a-Alanine, conf. I
438860.4592 0.6187 -5.3570 3 309.2325357 89502 303591149 581049 a-Alanine, conf. I
438864.2906 1.6170 -5.2434 3 363.6128369 89502 303611843 601743 a-Alanine, conf. I
438884.6535 0.8344 -4.6981 3 633.8589483 89502 303802556 792455 a-Alanine, conf. I
438901.0077 2.8033 -4.9712 3 626.7748471 89502 303783148 773147 a-Alanine, conf. I
438915.9788 1.5974 -5.2433 3 363.6134369 89502 303611943 601843 a-Alanine, conf. I
438939.0075 0.8672 -5.0088 3 699.1673549 89502 30391 982 90 981 a-Alanine, conf. I
438939.0075 0.8672 -4.4371 3 699.1673549 89502 30391 982 901081 a-Alanine, conf. I
438939.0075 0.8672 -4.4371 3 699.1673549 89502 303911082 90 981 a-Alanine, conf. I
438939.0075 0.8672 -5.0088 3 699.1673549 89502 303911082 901081 a-Alanine, conf. I
438948.2668 2.2805 -4.5423 3 405.3960381 89502 303632539 622438 a-Alanine, conf. I
438977.8898 1.6041 -5.2274 3 719.3014483 89502 303804337 794336 a-Alanine, conf. I
438977.8898 1.6041 -5.2274 3 719.3014483 89502 303804338 794337 a-Alanine, conf. I
438979.7945 0.1902 -5.1070 3 326.1639315 89502 303523418 513318 a-Alanine, conf. I
438979.7945 0.1902 -4.0381 3 326.1639315 89502 303523418 513319 a-Alanine, conf. I
438979.7945 0.1902 -4.0381 3 326.1639315 89502 303523419 513318 a-Alanine, conf. I
438979.7945 0.1902 -5.1070 3 326.1639315 89502 303523419 513319 a-Alanine, conf. I
438987.8589 0.2002 -5.0379 3 311.0191273 89502 3034542 3 4441 3 a-Alanine, conf. I
438987.8589 0.2002 -3.8837 3 311.0191273 89502 3034542 3 4441 4 a-Alanine, conf. I
438987.8589 0.2002 -3.8837 3 311.0191273 89502 3034542 4 4441 3 a-Alanine, conf. I
438987.8589 0.2002 -5.0379 3 311.0191273 89502 3034542 4 4441 4 a-Alanine, conf. I
438996.5587 2.2583 -5.0538 3 659.0896477 89502 303793545 783544 a-Alanine, conf. I
438996.9911 2.2588 -5.0538 3 659.0896477 89502 303793544 783543 a-Alanine, conf. I
438998.4591 1.5789 -4.9668 3 232.2378297 89502 303491634 481335 a-Alanine, conf. I
439059.7656 0.2858 -4.3643 3 373.8371363 89502 303602635 592534 a-Alanine, conf. I
439106.7109 2.1905 -4.9409 3 244.0675303 89502 303501634 491535 a-Alanine, conf. I
439118.0555 0.2867 -5.1994 3 373.8371363 89502 303602634 592534 a-Alanine, conf. I
439168.8854 2.4112 -5.2402 3 381.6166375 89502 303622042 611942 a-Alanine, conf. I
439215.9920 0.9029 -4.7462 3 623.3896477 89502 303792654 782553 a-Alanine, conf. I
439268.9119 0.2967 -5.1991 3 373.8302363 89502 303602635 592535 a-Alanine, conf. I
439327.2018 0.3046 -4.3639 3 373.8302363 89502 303602634 592535 a-Alanine, conf. I
439345.0465 0.7578 -5.2256 3 393.5754375 89502 303622537 612437 a-Alanine, conf. I
439375.4937 1.1364 -5.0036 3 708.6688567 89502 30394 589 93 588 a-Alanine, conf. I
439375.4937 1.1364 -4.3982 3 708.6688567 89502 30394 589 93 688 a-Alanine, conf. I
439375.4937 1.1364 -4.3982 3 708.6688567 89502 30394 689 93 588 a-Alanine, conf. I
439375.4937 1.1364 -5.0036 3 708.6688567 89502 30394 689 93 688 a-Alanine, conf. I
439416.6835 0.8713 -4.9985 3 666.7288507 89502 303841965 831964 a-Alanine, conf. I
439416.6835 0.8713 -4.5698 3 666.7288507 89502 303841965 832064 a-Alanine, conf. I
439416.6835 0.8713 -4.9985 3 666.7288507 89502 303842065 832064 a-Alanine, conf. I
439416.6836 0.8713 -4.5698 3 666.7288507 89502 303842065 831964 a-Alanine, conf. I
439465.8820 3.2252 -4.9701 3 626.7958471 89502 303783147 773146 a-Alanine, conf. I
439472.2444 1.7688 -4.9920 3 714.5341585 89502 30397 196 96 195 a-Alanine, conf. I
439472.2444 1.7688 -4.3601 3 714.5341585 89502 30397 196 96 295 a-Alanine, conf. I
439472.2444 1.7688 -4.3601 3 714.5341585 89502 30397 296 96 195 a-Alanine, conf. I
439472.2444 1.7688 -4.9920 3 714.5341585 89502 30397 296 96 295 a-Alanine, conf. I
439480.0899 1.6770 -5.2051 3 712.9333483 89502 303804238 794237 a-Alanine, conf. I
439480.0899 1.6770 -5.2051 3 712.9333483 89502 303804239 794238 a-Alanine, conf. I
439506.5679 0.8536 -4.6631 3 643.9466489 89502 303812358 802457 a-Alanine, conf. I
439508.2909 0.8535 -4.9737 3 643.9466489 89502 303812458 802457 a-Alanine, conf. I
439510.1398 0.8534 -4.9737 3 643.9465489 89502 303812358 802357 a-Alanine, conf. I
439511.8627 0.8533 -4.6630 3 643.9465489 89502 303812458 802357 a-Alanine, conf. I
439530.2700 0.2042 -5.1174 3 330.6909321 89502 303533320 523220 a-Alanine, conf. I
439530.2700 0.2042 -4.0651 3 330.6909321 89502 303533320 523221 a-Alanine, conf. I
439530.2700 0.2042 -4.0651 3 330.6909321 89502 303533321 523220 a-Alanine, conf. I
439530.2700 0.2042 -5.1174 3 330.6909321 89502 303533321 523221 a-Alanine, conf. I
439555.7141 0.8430 -5.0125 3 693.3136537 89502 303891277 881276 a-Alanine, conf. I
439555.7141 0.8430 -4.4722 3 693.3136537 89502 303891277 881376 a-Alanine, conf. I
439555.7141 0.8430 -4.4722 3 693.3136537 89502 303891377 881276 a-Alanine, conf. I
439555.7141 0.8430 -5.0125 3 693.3136537 89502 303891377 881376 a-Alanine, conf. I
439705.7190 0.1753 -5.0462 3 312.8557279 89502 3034641 5 4540 5 a-Alanine, conf. I
439705.7190 0.1753 -3.9004 3 312.8557279 89502 3034641 5 4540 6 a-Alanine, conf. I
439705.7190 0.1753 -3.9004 3 312.8557279 89502 3034641 6 4540 5 a-Alanine, conf. I
439705.7190 0.1753 -5.0462 3 312.8557279 89502 3034641 6 4540 6 a-Alanine, conf. I
439803.9421 0.5411 -5.5823 3 184.7083261 89502 303431825 421528 a-Alanine, conf. I
439961.7567 2.2315 -4.8247 3 627.1936477 89502 303792653 782752 a-Alanine, conf. I
439983.8546 29.8160 -5.6420 3 844.0148549 89502 303913358 903457 a-Alanine, conf. I
440018.8548 0.2190 -5.1281 3 335.5997327 89502 303543222 533122 a-Alanine, conf. I
440018.8548 0.2190 -4.0944 3 335.5997327 89502 303543222 533123 a-Alanine, conf. I
440018.8548 0.2190 -4.0944 3 335.5997327 89502 303543223 533122 a-Alanine, conf. I
440018.8548 0.2190 -5.1281 3 335.5997327 89502 303543223 533123 a-Alanine, conf. I
440030.6309 1.7547 -5.1834 3 706.7485483 89502 303804139 794138 a-Alanine, conf. I
440030.6309 1.7547 -5.1834 3 706.7485483 89502 303804140 794139 a-Alanine, conf. I
440098.5913 0.8645 -5.0120 3 685.4136525 89502 303871572 861571 a-Alanine, conf. I
440098.5913 0.8645 -4.5109 3 685.4136525 89502 303871572 861671 a-Alanine, conf. I
440098.5913 0.8645 -4.5109 3 685.4136525 89502 303871672 861571 a-Alanine, conf. I
440098.5913 0.8645 -5.0120 3 685.4136525 89502 303871672 861671 a-Alanine, conf. I
440133.6974 0.5999 -5.3864 3 304.4206357 89502 30359 950 58 850 a-Alanine, conf. I
440133.6974 0.5999 -5.3864 3 304.4206357 89502 303591050 58 950 a-Alanine, conf. I
440180.8402 1.0180 -5.6563 3 850.0292489 89502 303815823 805822 a-Alanine, conf. I
440180.8402 1.0180 -5.6563 3 850.0292489 89502 303815824 805823 a-Alanine, conf. I
440184.6536 0.9115 -5.0123 3 705.5290555 89502 30392 884 91 883 a-Alanine, conf. I
440184.6536 0.9115 -4.4312 3 705.5290555 89502 30392 884 91 983 a-Alanine, conf. I
440184.6536 0.9115 -4.4312 3 705.5290555 89502 30392 984 91 883 a-Alanine, conf. I
440184.6536 0.9115 -5.0123 3 705.5290555 89502 30392 984 91 983 a-Alanine, conf. I
440194.3359 2.4159 -5.0354 3 654.2944477 89502 303793446 783445 a-Alanine, conf. I
440198.0425 2.4195 -5.0354 3 654.2945477 89502 303793445 783444 a-Alanine, conf. I
440216.9221 4.5346 -4.8818 3 587.8531459 89502 303762848 752847 a-Alanine, conf. I
440262.1573 0.2901 -4.2987 3 366.2997357 89502 303592733 582632 a-Alanine, conf. I
440265.0334 0.2906 -5.1861 3 366.2997357 89502 303592732 582632 a-Alanine, conf. I
440273.8297 0.2917 -5.1861 3 366.2993357 89502 303592733 582633 a-Alanine, conf. I
440276.7058 0.2922 -4.2986 3 366.2993357 89502 303592732 582633 a-Alanine, conf. I
440335.7618 0.9551 -5.2809 3 337.2602363 89502 303601446 591346 a-Alanine, conf. I
440335.7713 0.9551 -5.2809 3 337.2602363 89502 303601546 591446 a-Alanine, conf. I
440352.8084 2.0010 -5.2381 3 381.6335375 89502 303622142 612042 a-Alanine, conf. I
440355.6041 1.0324 -5.6220 3 841.1199489 89502 303815724 805723 a-Alanine, conf. I
440355.6041 1.0324 -5.6220 3 841.1199489 89502 303815725 805724 a-Alanine, conf. I
440415.9118 0.1604 -5.0547 3 315.0422285 89502 3034740 7 4639 7 a-Alanine, conf. I
440415.9118 0.1604 -3.9180 3 315.0422285 89502 3034740 7 4639 8 a-Alanine, conf. I
440415.9118 0.1604 -3.9180 3 315.0422285 89502 3034740 8 4639 7 a-Alanine, conf. I
440415.9118 0.1604 -5.0547 3 315.0422285 89502 3034740 8 4639 8 a-Alanine, conf. I
440423.8560 0.2345 -5.1390 3 340.8993333 89502 303553124 543024 a-Alanine, conf. I
440423.8560 0.2345 -4.1263 3 340.8993333 89502 303553124 543025 a-Alanine, conf. I
440423.8560 0.2345 -4.1263 3 340.8993333 89502 303553125 543024 a-Alanine, conf. I
440423.8560 0.2345 -5.1390 3 340.8993333 89502 303553125 543025 a-Alanine, conf. I
440424.0121 0.8663 -4.6361 3 653.7159495 89502 303822260 812359 a-Alanine, conf. I
440424.0940 0.8663 -4.9853 3 653.7159495 89502 303822360 812359 a-Alanine, conf. I
440424.1889 0.8663 -4.9853 3 653.7159495 89502 303822260 812259 a-Alanine, conf. I
440424.2707 0.8663 -4.6361 3 653.7159495 89502 303822360 812259 a-Alanine, conf. I
440440.5861 5.9595 -4.7465 3 351.0281357 89502 303592237 582138 a-Alanine, conf. I
440443.1675 11.1825 -5.0624 3 664.1799489 89502 303812853 802952 a-Alanine, conf. I
440531.2869 1.9974 -4.9924 3 719.0759591 89502 30398 098 97 097 a-Alanine, conf. I
440531.2869 1.9974 -4.3549 3 719.0759591 89502 30398 098 97 197 a-Alanine, conf. I
440531.2869 1.9974 -4.3549 3 719.0759591 89502 30398 198 97 097 a-Alanine, conf. I
440531.2869 1.9974 -4.9924 3 719.0759591 89502 30398 198 97 197 a-Alanine, conf. I
440537.0050 1.2715 -5.0056 3 714.1287573 89502 30395 491 94 490 a-Alanine, conf. I
440537.0050 1.2715 -4.3929 3 714.1287573 89502 30395 491 94 590 a-Alanine, conf. I
440537.0050 1.2715 -4.3929 3 714.1287573 89502 30395 591 94 490 a-Alanine, conf. I
440537.0050 1.2715 -5.0056 3 714.1287573 89502 30395 591 94 590 a-Alanine, conf. I
440541.9093 1.0526 -5.5889 3 832.3741489 89502 303815625 805624 a-Alanine, conf. I
440541.9093 1.0526 -5.5889 3 832.3741489 89502 303815626 805625 a-Alanine, conf. I
440544.8302 0.9736 -5.0990 3 205.8960285 89502 303471235 461136 a-Alanine, conf. I
440548.7274 0.9729 -5.0990 3 205.8960285 89502 303471335 461036 a-Alanine, conf. I
440636.9277 1.8383 -5.1623 3 700.7505483 89502 303804041 794040 a-Alanine, conf. I
440636.9278 1.8383 -5.1623 3 700.7505483 89502 303804040 794039 a-Alanine, conf. I
440671.2333 0.8795 -5.0068 3 675.4149513 89502 303851867 841866 a-Alanine, conf. I
440671.2333 0.8795 -4.5562 3 675.4149513 89502 303851867 841966 a-Alanine, conf. I
440671.2333 0.8795 -4.5562 3 675.4149513 89502 303851967 841866 a-Alanine, conf. I
440671.2333 0.8795 -5.0068 3 675.4149513 89502 303851967 841966 a-Alanine, conf. I
440704.0680 2.7642 -4.9544 3 622.9757471 89502 303783049 773048 a-Alanine, conf. I
440714.0862 0.2507 -4.1615 3 346.6010339 89502 303563027 552926 a-Alanine, conf. I
440714.0863 0.2507 -5.1502 3 346.6010339 89502 303563026 552926 a-Alanine, conf. I
440714.0866 0.2507 -4.1615 3 346.6010339 89502 303563026 552927 a-Alanine, conf. I
440714.0866 0.2507 -5.1502 3 346.6010339 89502 303563027 552927 a-Alanine, conf. I
440736.4602 0.2816 -4.2458 3 359.2766351 89502 303582831 572730 a-Alanine, conf. I
440736.5678 0.2816 -5.1737 3 359.2766351 89502 303582830 572730 a-Alanine, conf. I
440736.9450 0.2817 -5.1737 3 359.2765351 89502 303582831 572731 a-Alanine, conf. I
440737.0526 0.2817 -4.2458 3 359.2765351 89502 303582830 572731 a-Alanine, conf. I
440740.6619 1.0781 -5.5567 3 823.7924489 89502 303815526 805525 a-Alanine, conf. I
440740.6619 1.0781 -5.5567 3 823.7924489 89502 303815527 805526 a-Alanine, conf. I
440804.1425 1.4691 -4.9327 3 616.0317471 89502 303782851 772850 a-Alanine, conf. I
440842.9170 0.2669 -4.2009 3 352.7200345 89502 303572929 562828 a-Alanine, conf. I
440842.9201 0.2669 -5.1618 3 352.7200345 89502 303572928 562828 a-Alanine, conf. I
440842.9323 0.2669 -5.1618 3 352.7200345 89502 303572929 562829 a-Alanine, conf. I
440842.9355 0.2669 -4.2009 3 352.7200345 89502 303572928 562829 a-Alanine, conf. I
440845.1191 0.8507 -5.0173 3 700.3595543 89502 303901179 891178 a-Alanine, conf. I
440845.1191 0.8507 -4.4653 3 700.3595543 89502 303901179 891278 a-Alanine, conf. I
440845.1191 0.8507 -4.4653 3 700.3595543 89502 303901279 891178 a-Alanine, conf. I
440845.1191 0.8507 -5.0173 3 700.3595543 89502 303901279 891278 a-Alanine, conf. I
440889.6175 1.1974 -4.9231 3 612.3472471 89502 303782652 772651 a-Alanine, conf. I
440952.8692 1.1087 -5.5256 3 815.3756489 89502 303815427 805426 a-Alanine, conf. I
440952.8692 1.1087 -5.5256 3 815.3756489 89502 303815428 805427 a-Alanine, conf. I
441116.0463 0.1550 -5.0636 3 317.5809291 89502 3034839 9 4738 9 a-Alanine, conf. I
441116.0463 0.1550 -3.9367 3 317.5809291 89502 3034839 9 473810 a-Alanine, conf. I
441116.0463 0.1550 -3.9367 3 317.5809291 89502 303483910 4738 9 a-Alanine, conf. I
441116.0463 0.1550 -5.0636 3 317.5809291 89502 303483910 473810 a-Alanine, conf. I
441179.6553 1.1439 -5.4954 3 807.1243489 89502 303815328 805327 a-Alanine, conf. I
441179.6553 1.1439 -5.4954 3 807.1243489 89502 303815329 805328 a-Alanine, conf. I
441304.0107 1.7870 -4.9382 3 244.0648303 89502 303501734 491435 a-Alanine, conf. I
441308.2441 1.9288 -5.1417 3 694.9431483 89502 303803942 793941 a-Alanine, conf. I
441308.2442 1.9288 -5.1417 3 694.9431483 89502 303803941 793940 a-Alanine, conf. I
441308.8521 4.3631 -5.2612 3 425.7409393 89502 303652342 642242 a-Alanine, conf. I
441324.3448 0.6100 -5.4212 3 299.4646357 89502 30359 851 58 751 a-Alanine, conf. I
441324.3448 0.6100 -5.4212 3 299.4646357 89502 30359 951 58 851 a-Alanine, conf. I
441406.9735 0.8650 -5.0181 3 693.1515531 89502 303881474 871473 a-Alanine, conf. I
441406.9735 0.8650 -4.5023 3 693.1515531 89502 303881474 871573 a-Alanine, conf. I
441406.9735 0.8650 -4.5023 3 693.1515531 89502 303881574 871473 a-Alanine, conf. I
441406.9735 0.8650 -5.0181 3 693.1515531 89502 303881574 871573 a-Alanine, conf. I
441409.8646 0.9765 -5.0155 3 711.6764561 89502 30393 786 92 785 a-Alanine, conf. I
441409.8646 0.9765 -4.4256 3 711.6764561 89502 30393 786 92 885 a-Alanine, conf. I
441409.8646 0.9765 -4.4256 3 711.6764561 89502 30393 886 92 785 a-Alanine, conf. I
441409.8646 0.9765 -5.0155 3 711.6764561 89502 30393 886 92 885 a-Alanine, conf. I
441422.2790 1.1834 -5.4661 3 799.0394489 89502 303815229 805228 a-Alanine, conf. I
441422.2790 1.1834 -5.4661 3 799.0394489 89502 303815230 805229 a-Alanine, conf. I
441487.6669 0.8781 -4.6146 3 663.1995501 89502 303832162 822261 a-Alanine, conf. I
441487.6701 0.8781 -4.9960 3 663.1995501 89502 303832262 822261 a-Alanine, conf. I
441487.6742 0.8781 -4.9960 3 663.1995501 89502 303832162 822161 a-Alanine, conf. I
441487.6774 0.8781 -4.6146 3 663.1995501 89502 303832262 822161 a-Alanine, conf. I
441608.1773 2.6050 -5.0173 3 649.7373477 89502 303793347 783346 a-Alanine, conf. I
441616.4568 3.2023 -5.2466 3 396.2657381 89502 303632142 622042 a-Alanine, conf. I
441636.2551 2.6305 -5.0172 3 649.7382477 89502 303793346 783345 a-Alanine, conf. I
441657.7142 1.4116 -5.2515 3 359.9155369 89502 303611744 601644 a-Alanine, conf. I
441663.8032 1.4092 -5.2515 3 359.9156369 89502 303611844 601744 a-Alanine, conf. I
441670.3082 5.0654 -4.9160 3 605.2062465 89502 303772948 762947 a-Alanine, conf. I
441671.4016 2.2668 -4.9407 3 619.4334471 89502 303782950 772949 a-Alanine, conf. I
441672.4408 1.4318 -5.0072 3 719.3706579 89502 30396 393 95 392 a-Alanine, conf. I
441672.4408 1.4318 -4.3877 3 719.3706579 89502 30396 393 95 492 a-Alanine, conf. I
441672.4408 1.4318 -4.3877 3 719.3706579 89502 30396 493 95 392 a-Alanine, conf. I
441672.4408 1.4318 -5.0072 3 719.3706579 89502 30396 493 95 492 a-Alanine, conf. I
441682.1558 1.2269 -5.4377 3 791.1217489 89502 303815130 805129 a-Alanine, conf. I
441682.1558 1.2269 -5.4377 3 791.1217489 89502 303815131 805130 a-Alanine, conf. I
441725.4368 1.4646 -4.8691 3 585.5670459 89502 303762749 752748 a-Alanine, conf. I
441803.0167 0.1573 -5.0728 3 320.4743297 89502 303493811 483711 a-Alanine, conf. I
441803.0167 0.1573 -3.9565 3 320.4743297 89502 303493811 483712 a-Alanine, conf. I
441803.0167 0.1573 -3.9565 3 320.4743297 89502 303493812 483711 a-Alanine, conf. I
441803.0167 0.1573 -5.0728 3 320.4743297 89502 303493812 483712 a-Alanine, conf. I
441953.6650 0.8854 -5.0146 3 683.8673519 89502 303861769 851768 a-Alanine, conf. I
441953.6650 0.8854 -4.5445 3 683.8673519 89502 303861769 851868 a-Alanine, conf. I
441953.6650 0.8854 -4.5445 3 683.8673519 89502 303861869 851768 a-Alanine, conf. I
441953.6650 0.8854 -5.0146 3 683.8673519 89502 303861869 851868 a-Alanine, conf. I
441960.8846 1.2742 -5.4100 3 783.3722489 89502 303815031 805030 a-Alanine, conf. I
441960.8846 1.2742 -5.4100 3 783.3722489 89502 303815032 805031 a-Alanine, conf. I
442027.4985 4.1907 -5.2555 3 410.9965387 89502 303642242 632142 a-Alanine, conf. I
442056.3957 2.0281 -5.1217 3 689.3310483 89502 303803843 793842 a-Alanine, conf. I
442056.3966 2.0281 -5.1217 3 689.3310483 89502 303803842 793841 a-Alanine, conf. I
442069.4982 1.1009 -5.2365 3 405.3960381 89502 303632538 622438 a-Alanine, conf. I
442077.1901 0.8473 -5.2970 3 332.9552363 89502 303601347 591247 a-Alanine, conf. I
442077.1908 0.8473 -5.2970 3 332.9552363 89502 303601447 591347 a-Alanine, conf. I
442120.4696 0.8673 -5.0217 3 707.1911549 89502 303911081 901080 a-Alanine, conf. I
442120.4696 0.8673 -4.4590 3 707.1911549 89502 303911081 901180 a-Alanine, conf. I
442120.4696 0.8673 -4.4590 3 707.1911549 89502 303911181 901080 a-Alanine, conf. I
442120.4696 0.8673 -5.0217 3 707.1911549 89502 303911181 901180 a-Alanine, conf. I
442260.2804 1.3250 -5.3832 3 775.7919489 89502 303814932 804931 a-Alanine, conf. I
442260.2804 1.3250 -5.3832 3 775.7919489 89502 303814933 804932 a-Alanine, conf. I
442379.1688 0.8990 -4.9464 3 627.1936477 89502 303792753 782752 a-Alanine, conf. I
442442.8160 0.6470 -5.4626 3 294.3671357 89502 30359 752 58 652 a-Alanine, conf. I
442442.8160 0.6470 -5.4626 3 294.3671357 89502 30359 852 58 752 a-Alanine, conf. I
442468.2884 0.3943 -5.2203 3 393.4155375 89502 303622538 612438 a-Alanine, conf. I
442469.5579 0.8975 -4.7477 3 638.0402483 89502 303802555 792654 a-Alanine, conf. I
442472.7789 0.1650 -5.0822 3 323.7253303 89502 303503713 493613 a-Alanine, conf. I
442472.7789 0.1650 -3.9775 3 323.7253303 89502 303503713 493614 a-Alanine, conf. I
442472.7789 0.1650 -3.9775 3 323.7253303 89502 303503714 493613 a-Alanine, conf. I
442472.7789 0.1650 -5.0822 3 323.7253303 89502 303503714 493614 a-Alanine, conf. I
442582.4149 1.3793 -5.3571 3 768.3821489 89502 303814833 804832 a-Alanine, conf. I
442582.4149 1.3793 -5.3571 3 768.3821489 89502 303814834 804833 a-Alanine, conf. I
442612.8878 1.0648 -5.0184 3 717.6087567 89502 30394 688 93 687 a-Alanine, conf. I
442612.8878 1.0648 -4.4202 3 717.6087567 89502 30394 688 93 787 a-Alanine, conf. I
442612.8878 1.0648 -4.4202 3 717.6087567 89502 30394 788 93 687 a-Alanine, conf. I
442612.8878 1.0648 -5.0184 3 717.6087567 89502 30394 788 93 787 a-Alanine, conf. I
442646.0616 0.8891 -4.5969 3 672.4181507 89502 303842064 832163 a-Alanine, conf. I
442646.0617 0.8891 -5.0058 3 672.4181507 89502 303842164 832163 a-Alanine, conf. I
442646.0619 0.8891 -5.0058 3 672.4181507 89502 303842064 832063 a-Alanine, conf. I
442646.0620 0.8891 -4.5969 3 672.4181507 89502 303842164 832063 a-Alanine, conf. I
442668.8947 1.7773 -5.2367 3 399.3534381 89502 303632341 622241 a-Alanine, conf. I
442687.1767 0.8517 -4.9625 3 638.0402483 89502 303802655 792654 a-Alanine, conf. I
442711.7386 0.8657 -5.0239 3 700.6716537 89502 303891376 881375 a-Alanine, conf. I
442711.7386 0.8657 -4.4945 3 700.6716537 89502 303891376 881475 a-Alanine, conf. I
442711.7386 0.8657 -4.4945 3 700.6716537 89502 303891476 881375 a-Alanine, conf. I
442711.7386 0.8657 -5.0239 3 700.6716537 89502 303891476 881475 a-Alanine, conf. I
442780.6271 1.6171 -5.0085 3 724.3927585 89502 30397 295 96 294 a-Alanine, conf. I
442780.6271 1.6171 -4.3827 3 724.3927585 89502 30397 295 96 394 a-Alanine, conf. I
442780.6271 1.6171 -4.3827 3 724.3927585 89502 30397 395 96 294 a-Alanine, conf. I
442780.6271 1.6171 -5.0085 3 724.3927585 89502 30397 395 96 394 a-Alanine, conf. I
442784.8935 0.6880 -5.2269 3 191.1263279 89502 303461036 45 937 a-Alanine, conf. I
442784.9456 0.6880 -5.2269 3 191.1263279 89502 303461136 45 837 a-Alanine, conf. I
442880.1745 0.8417 -4.9620 3 638.0265483 89502 303802555 792554 a-Alanine, conf. I
442896.8389 2.1386 -5.1023 3 683.9202483 89502 303803744 793743 a-Alanine, conf. I
442896.8491 2.1386 -5.1023 3 683.9202483 89502 303803743 793742 a-Alanine, conf. I
442912.2441 27.7934 -5.5353 3 806.3511537 89502 303893257 883356 a-Alanine, conf. I
442929.6668 1.4369 -5.3318 3 761.1441489 89502 303814734 804733 a-Alanine, conf. I
442929.6668 1.4369 -5.3318 3 761.1441489 89502 303814735 804734 a-Alanine, conf. I
442948.9875 0.2641 -5.0264 3 316.1775267 89502 3034444 0 4343 0 a-Alanine, conf. I
442948.9875 0.2641 -3.8607 3 316.1775267 89502 3034444 0 4343 1 a-Alanine, conf. I
442948.9875 0.2641 -3.8607 3 316.1775267 89502 3034444 1 4343 0 a-Alanine, conf. I
442948.9875 0.2641 -5.0264 3 316.1775267 89502 3034444 1 4343 1 a-Alanine, conf. I
443097.7932 0.8610 -4.7464 3 638.0265483 89502 303802655 792554 a-Alanine, conf. I
443112.6037 0.8687 -4.7027 3 648.4985489 89502 303812457 802556 a-Alanine, conf. I
443120.0428 0.1760 -5.0920 3 327.3376309 89502 303513615 503515 a-Alanine, conf. I
443120.0428 0.1760 -3.9999 3 327.3376309 89502 303513615 503516 a-Alanine, conf. I
443120.0428 0.1760 -3.9999 3 327.3376309 89502 303513616 503515 a-Alanine, conf. I
443120.0428 0.1760 -5.0920 3 327.3376309 89502 303513616 503516 a-Alanine, conf. I
443127.5269 0.8671 -4.9771 3 648.4985489 89502 303812557 802556 a-Alanine, conf. I
443142.4197 0.8659 -4.9771 3 648.4975489 89502 303812457 802456 a-Alanine, conf. I
443157.3429 0.8647 -4.7027 3 648.4975489 89502 303812557 802456 a-Alanine, conf. I
443252.1935 0.8889 -5.0218 3 692.0922525 89502 303871671 861670 a-Alanine, conf. I
443252.1935 0.8889 -4.5343 3 692.0922525 89502 303871671 861770 a-Alanine, conf. I
443252.1935 0.8889 -4.5343 3 692.0922525 89502 303871771 861670 a-Alanine, conf. I
443252.1935 0.8889 -5.0218 3 692.0922525 89502 303871771 861770 a-Alanine, conf. I
443259.9526 2.7978 -5.2633 3 440.4614399 89502 303662442 652342 a-Alanine, conf. I
443285.5360 2.8146 -4.9994 3 645.4372477 89502 303793248 783247 a-Alanine, conf. I
443303.0473 1.0784 -5.2327 3 402.2312381 89502 303632440 622340 a-Alanine, conf. I
443304.7860 1.4980 -5.3071 3 754.0795489 89502 303814635 804634 a-Alanine, conf. I
443304.7860 1.4980 -5.3071 3 754.0795489 89502 303814636 804635 a-Alanine, conf. I
443343.9541 4.3982 -4.9490 3 623.0932471 89502 303783048 773047 a-Alanine, conf. I
443367.6240 5.3608 -4.9220 3 645.6005483 89502 303802753 792852 a-Alanine, conf. I
443379.1400 0.8969 -5.0257 3 713.8087555 89502 30392 983 91 982 a-Alanine, conf. I
443379.1400 0.8969 -4.4531 3 713.8087555 89502 30392 983 911082 a-Alanine, conf. I
443379.1400 0.8969 -4.4531 3 713.8087555 89502 303921083 91 982 a-Alanine, conf. I
443379.1400 0.8969 -5.0257 3 713.8087555 89502 303921083 911082 a-Alanine, conf. I
443469.8902 2.9681 -4.9990 3 645.4436477 89502 303793247 783246 a-Alanine, conf. I
443497.6731 0.7061 -5.5129 3 289.1302357 89502 30359 653 58 553 a-Alanine, conf. I
443497.6731 0.7061 -5.5129 3 289.1302357 89502 30359 753 58 653 a-Alanine, conf. I
443520.1391 0.3119 -4.3910 3 385.0854369 89502 303612636 602535 a-Alanine, conf. I
443613.7340 1.9028 -5.2436 3 378.2517375 89502 303621943 611843 a-Alanine, conf. I
443645.2004 0.3008 -5.2073 3 385.0854369 89502 303612635 602535 a-Alanine, conf. I
443667.3097 0.7576 -5.3155 3 328.4905363 89502 303601248 591148 a-Alanine, conf. I
443667.3098 0.7576 -5.3155 3 328.4905363 89502 303601348 591248 a-Alanine, conf. I
443674.6262 0.2244 -5.0342 3 317.5048273 89502 3034543 2 4442 2 a-Alanine, conf. I
443674.6262 0.2244 -3.8759 3 317.5048273 89502 3034543 2 4442 3 a-Alanine, conf. I
443674.6262 0.2244 -3.8759 3 317.5048273 89502 3034543 3 4442 2 a-Alanine, conf. I
443674.6262 0.2244 -5.0342 3 317.5048273 89502 3034543 3 4442 3 a-Alanine, conf. I
443681.9904 0.4979 -5.6328 3 161.5264267 89502 30344 638 43 539 a-Alanine, conf. I
443681.9905 0.4979 -5.6328 3 161.5264267 89502 30344 738 43 439 a-Alanine, conf. I
443699.9643 0.5123 -5.3967 3 176.3261273 89502 30345 837 44 738 a-Alanine, conf. I
443699.9647 0.5123 -5.3967 3 176.3261273 89502 30345 937 44 638 a-Alanine, conf. I
443709.4528 1.8782 -4.9182 3 256.0600309 89502 303511834 501535 a-Alanine, conf. I
443710.9759 1.5626 -5.2832 3 747.1899489 89502 303814536 804535 a-Alanine, conf. I
443710.9759 1.5626 -5.2832 3 747.1899489 89502 303814537 804536 a-Alanine, conf. I
443737.8387 0.1887 -5.1020 3 331.3155315 89502 303523517 513417 a-Alanine, conf. I
443737.8387 0.1887 -4.0239 3 331.3155315 89502 303523517 513418 a-Alanine, conf. I
443737.8387 0.1887 -4.0239 3 331.3155315 89502 303523518 513417 a-Alanine, conf. I
443737.8387 0.1887 -5.1020 3 331.3155315 89502 303523518 513418 a-Alanine, conf. I
443792.1675 1.1782 -5.0209 3 723.3248573 89502 30395 590 94 589 a-Alanine, conf. I
443792.1675 1.1782 -4.4151 3 723.3248573 89502 30395 590 94 689 a-Alanine, conf. I
443792.1675 1.1782 -4.4151 3 723.3248573 89502 30395 690 94 589 a-Alanine, conf. I
443792.1675 1.1782 -5.0209 3 723.3248573 89502 30395 690 94 689 a-Alanine, conf. I
443805.9282 1.8293 -5.2433 3 378.2540375 89502 303622043 611943 a-Alanine, conf. I
443850.4226 2.2641 -5.0832 3 678.7178483 89502 303803645 793644 a-Alanine, conf. I
443850.5265 2.2642 -5.0832 3 678.7178483 89502 303803644 793643 a-Alanine, conf. I
443860.4825 1.8267 -5.0095 3 729.1933591 89502 30398 197 97 196 a-Alanine, conf. I
443860.4825 1.8267 -4.3776 3 729.1933591 89502 30398 197 97 296 a-Alanine, conf. I
443860.4825 1.8267 -4.3776 3 729.1933591 89502 30398 297 97 196 a-Alanine, conf. I
443860.4825 1.8267 -5.0095 3 729.1933591 89502 30398 297 97 296 a-Alanine, conf. I
443866.3118 0.8989 -5.0149 3 681.3862513 89502 303851966 841965 a-Alanine, conf. I
443866.3118 0.8989 -4.5820 3 681.3862513 89502 303851966 842065 a-Alanine, conf. I
443866.3118 0.8989 -4.5820 3 681.3862513 89502 303852066 841965 a-Alanine, conf. I
443866.3118 0.8989 -5.0149 3 681.3862513 89502 303852066 842065 a-Alanine, conf. I
443871.5943 0.8818 -4.6705 3 658.6071495 89502 303822359 812458 a-Alanine, conf. I
443872.4181 0.8817 -4.9901 3 658.6071495 89502 303822459 812458 a-Alanine, conf. I
443873.3173 0.8817 -4.9901 3 658.6070495 89502 303822359 812358 a-Alanine, conf. I
443874.1410 0.8816 -4.6705 3 658.6070495 89502 303822459 812358 a-Alanine, conf. I
443951.3687 0.3095 -5.2067 3 385.0710369 89502 303612636 602536 a-Alanine, conf. I
444008.4521 0.8689 -5.0292 3 707.9756543 89502 303901278 891277 a-Alanine, conf. I
444008.4521 0.8689 -4.4875 3 707.9756543 89502 303901278 891377 a-Alanine, conf. I
444008.4521 0.8689 -4.4875 3 707.9756543 89502 303901378 891277 a-Alanine, conf. I
444008.4521 0.8689 -5.0292 3 707.9756543 89502 303901378 891377 a-Alanine, conf. I
444019.0142 1.4967 -5.1422 3 251.3675303 89502 303502031 491732 a-Alanine, conf. I
444046.3805 1.2455 -5.2614 3 356.0229369 89502 303611645 601545 a-Alanine, conf. I
444046.9938 1.2453 -5.2614 3 356.0229369 89502 303611745 601645 a-Alanine, conf. I
444076.4301 0.3283 -4.3900 3 385.0710369 89502 303612635 602536 a-Alanine, conf. I
444138.3224 0.9528 -4.4877 3 393.4155375 89502 303622537 612438 a-Alanine, conf. I
444152.0001 1.6309 -5.2599 3 740.4773489 89502 303814437 804436 a-Alanine, conf. I
444152.0001 1.6309 -5.2599 3 740.4773489 89502 303814438 804437 a-Alanine, conf. I
444158.9204 1.0346 -4.9422 3 627.0536477 89502 303792653 782652 a-Alanine, conf. I
444182.9461 1.3976 -5.2476 3 417.4772387 89502 303642539 632439 a-Alanine, conf. I
444205.1350 15.5000 -5.1756 3 698.4594501 89502 303832954 823053 a-Alanine, conf. I
444209.3691 8.0176 -4.7731 3 496.8884423 89502 303702645 692544 a-Alanine, conf. I
444305.5356 1.1678 -5.0499 3 217.4174291 89502 303481335 471236 a-Alanine, conf. I
444316.8928 0.2026 -5.1123 3 335.6641321 89502 303533419 523319 a-Alanine, conf. I
444316.8928 0.2026 -4.0496 3 335.6641321 89502 303533419 523320 a-Alanine, conf. I
444316.8928 0.2026 -4.0496 3 335.6641321 89502 303533420 523319 a-Alanine, conf. I
444316.8928 0.2026 -5.1123 3 335.6641321 89502 303533420 523320 a-Alanine, conf. I
444324.2864 1.1642 -5.0499 3 217.4174291 89502 303481435 471136 a-Alanine, conf. I
444395.1902 0.1938 -5.0423 3 319.1792279 89502 3034642 4 4541 4 a-Alanine, conf. I
444395.1902 0.1938 -3.8920 3 319.1792279 89502 3034642 4 4541 5 a-Alanine, conf. I
444395.1902 0.1938 -3.8920 3 319.1792279 89502 3034642 5 4541 4 a-Alanine, conf. I
444395.1902 0.1938 -5.0423 3 319.1792279 89502 3034642 5 4541 5 a-Alanine, conf. I
444496.0541 0.7822 -5.5753 3 283.7557357 89502 30359 554 58 454 a-Alanine, conf. I
444496.0541 0.7822 -5.5753 3 283.7557357 89502 30359 654 58 554 a-Alanine, conf. I
444558.0545 0.8904 -5.0286 3 700.0937531 89502 303881573 871572 a-Alanine, conf. I
444558.0545 0.8904 -4.5252 3 700.0937531 89502 303881573 871672 a-Alanine, conf. I
444558.0545 0.8904 -4.5252 3 700.0937531 89502 303881673 871572 a-Alanine, conf. I
444558.0545 0.8904 -5.0286 3 700.0937531 89502 303881673 871672 a-Alanine, conf. I
444618.8843 0.9439 -5.0295 3 720.2119561 89502 30393 885 92 884 a-Alanine, conf. I
444618.8843 0.9439 -4.4475 3 720.2119561 89502 30393 885 92 984 a-Alanine, conf. I
444618.8843 0.9439 -4.4475 3 720.2119561 89502 30393 985 92 884 a-Alanine, conf. I
444618.8843 0.9439 -5.0295 3 720.2119561 89502 30393 985 92 984 a-Alanine, conf. I
444632.3247 1.7034 -5.2372 3 733.9441489 89502 303814338 804337 a-Alanine, conf. I
444632.3247 1.7034 -5.2372 3 733.9441489 89502 303814339 804338 a-Alanine, conf. I
444826.8795 0.8944 -4.6455 3 668.4069501 89502 303832261 822360 a-Alanine, conf. I
444826.9171 0.8944 -5.0018 3 668.4069501 89502 303832361 822360 a-Alanine, conf. I
444826.9613 0.8944 -5.0018 3 668.4069501 89502 303832261 822260 a-Alanine, conf. I
444826.9990 0.8944 -4.6455 3 668.4069501 89502 303832361 822260 a-Alanine, conf. I
444844.7004 0.2172 -5.1229 3 340.3897327 89502 303543321 533221 a-Alanine, conf. I
444844.7004 0.2172 -4.0773 3 340.3897327 89502 303543321 533222 a-Alanine, conf. I
444844.7004 0.2172 -4.0773 3 340.3897327 89502 303543322 533221 a-Alanine, conf. I
444844.7004 0.2172 -5.1229 3 340.3897327 89502 303543322 533222 a-Alanine, conf. I
444911.0043 2.0602 -5.0102 3 733.7704597 89502 30399 099 98 098 a-Alanine, conf. I
444911.0043 2.0602 -4.3726 3 733.7704597 89502 30399 099 98 198 a-Alanine, conf. I
444911.0043 2.0602 -4.3726 3 733.7704597 89502 30399 199 98 098 a-Alanine, conf. I
444911.0043 2.0602 -5.0102 3 733.7704597 89502 30399 199 98 198 a-Alanine, conf. I
444927.7712 0.7868 -5.0505 3 260.9561309 89502 303512032 501733 a-Alanine, conf. I
444946.2235 2.4102 -5.0646 3 673.7330483 89502 303803546 793545 a-Alanine, conf. I
444946.3071 1.3173 -5.0230 3 728.8235579 89502 30396 492 95 491 a-Alanine, conf. I
444946.3071 1.3173 -4.4100 3 728.8235579 89502 30396 492 95 591 a-Alanine, conf. I
444946.3071 1.3173 -4.4100 3 728.8235579 89502 30396 592 95 491 a-Alanine, conf. I
444946.3071 1.3173 -5.0230 3 728.8235579 89502 30396 592 95 591 a-Alanine, conf. I
444947.1763 2.4112 -5.0646 3 673.7330483 89502 303803545 793544 a-Alanine, conf. I
444981.6375 2.1194 -5.2409 3 396.3221381 89502 303632242 622142 a-Alanine, conf. I
445004.0651 5.2751 -4.8255 3 597.7393465 89502 303772751 762650 a-Alanine, conf. I
445044.2398 24.3927 -5.4186 3 769.5403525 89502 303873156 863255 a-Alanine, conf. I
445086.7812 3.6909 -4.8165 3 612.3472471 89502 303782752 772651 a-Alanine, conf. I
445109.1091 0.1732 -5.0507 3 321.2024285 89502 3034741 6 4640 6 a-Alanine, conf. I
445109.1091 0.1732 -3.9090 3 321.2024285 89502 3034741 6 4640 7 a-Alanine, conf. I
445109.1091 0.1732 -3.9090 3 321.2024285 89502 3034741 7 4640 6 a-Alanine, conf. I
445109.1091 0.1732 -5.0507 3 321.2024285 89502 3034741 7 4640 7 a-Alanine, conf. I
445126.2156 0.3005 -4.3202 3 377.2905363 89502 303602734 592633 a-Alanine, conf. I
445126.6511 0.9067 -5.0233 3 690.1141519 89502 303861868 851867 a-Alanine, conf. I
445126.6511 0.9067 -4.5692 3 690.1141519 89502 303861868 851967 a-Alanine, conf. I
445126.6511 0.9067 -4.5692 3 690.1141519 89502 303861968 851867 a-Alanine, conf. I
445126.6511 0.9067 -5.0233 3 690.1141519 89502 303861968 851967 a-Alanine, conf. I
445131.4845 0.6891 -5.3371 3 323.8713363 89502 303601149 591049 a-Alanine, conf. I
445131.4845 0.6891 -5.3371 3 323.8713363 89502 303601249 591149 a-Alanine, conf. I
445132.9494 0.3014 -5.1933 3 377.2905363 89502 303602733 592633 a-Alanine, conf. I
445152.6547 0.3039 -5.1933 3 377.2896363 89502 303602734 592634 a-Alanine, conf. I
445157.3087 1.7805 -5.2152 3 727.5928489 89502 303814239 804238 a-Alanine, conf. I
445157.3087 1.7805 -5.2152 3 727.5928489 89502 303814240 804239 a-Alanine, conf. I
445159.3885 0.3049 -4.3201 3 377.2896363 89502 303602733 592634 a-Alanine, conf. I
445168.9954 2.9495 -4.9819 3 641.4149477 89502 303793149 783148 a-Alanine, conf. I
445293.4950 0.8776 -5.0342 3 715.0645549 89502 303911180 901179 a-Alanine, conf. I
445293.4950 0.8776 -4.4811 3 715.0645549 89502 303911180 901279 a-Alanine, conf. I
445293.4950 0.8776 -4.4811 3 715.0645549 89502 303911280 901179 a-Alanine, conf. I
445293.4950 0.8776 -5.0342 3 715.0645549 89502 303911280 901279 a-Alanine, conf. I
445303.7972 1.5574 -4.8134 3 641.9498483 89502 303802654 792753 a-Alanine, conf. I
445304.1006 0.2326 -5.1338 3 345.5000333 89502 303553223 543123 a-Alanine, conf. I
445304.1006 0.2326 -4.1074 3 345.5000333 89502 303553223 543124 a-Alanine, conf. I
445304.1006 0.2326 -4.1074 3 345.5000333 89502 303553224 543123 a-Alanine, conf. I
445304.1006 0.2326 -5.1338 3 345.5000333 89502 303553224 543124 a-Alanine, conf. I
445430.5195 5.9741 -4.8740 3 313.4955339 89502 303562036 551937 a-Alanine, conf. I
445443.9814 0.8708 -5.6552 3 278.2454357 89502 30359 455 58 355 a-Alanine, conf. I
445443.9814 0.8708 -5.6552 3 278.2454357 89502 30359 555 58 455 a-Alanine, conf. I
445577.1879 2.0315 -5.2502 3 241.8978297 89502 303492030 481731 a-Alanine, conf. I
445648.3989 1.2802 -4.9480 3 630.7353477 89502 303792852 782851 a-Alanine, conf. I
445653.7401 20.0982 -5.2965 3 733.5780513 89502 303853055 843154 a-Alanine, conf. I
445670.9875 0.2487 -5.1450 3 351.0048339 89502 303563125 553025 a-Alanine, conf. I
445670.9875 0.2487 -4.1403 3 351.0048339 89502 303563125 553026 a-Alanine, conf. I
445670.9875 0.2487 -4.1403 3 351.0048339 89502 303563126 553025 a-Alanine, conf. I
445670.9875 0.2487 -5.1450 3 351.0048339 89502 303563126 553026 a-Alanine, conf. I
445733.4683 1.8630 -5.1938 3 721.4264489 89502 303814140 804139 a-Alanine, conf. I
445733.4683 1.8630 -5.1938 3 721.4264489 89502 303814141 804140 a-Alanine, conf. I
445762.8397 0.2956 -4.2644 3 370.0317357 89502 303592832 582731 a-Alanine, conf. I
445763.1133 0.2956 -5.1805 3 370.0317357 89502 303592831 582731 a-Alanine, conf. I
445764.0364 0.2957 -5.1805 3 370.0317357 89502 303592832 582732 a-Alanine, conf. I
445764.3100 0.2958 -4.2644 3 370.0317357 89502 303592831 582732 a-Alanine, conf. I
445814.3489 0.1625 -5.0594 3 323.5765291 89502 3034840 8 4739 8 a-Alanine, conf. I
445814.3489 0.1625 -3.9270 3 323.5765291 89502 3034840 8 4739 9 a-Alanine, conf. I
445814.3489 0.1625 -3.9270 3 323.5765291 89502 3034840 9 4739 8 a-Alanine, conf. I
445814.3489 0.1625 -5.0594 3 323.5765291 89502 3034840 9 4739 9 a-Alanine, conf. I
445837.7532 1.0120 -5.0328 3 726.4002567 89502 30394 787 93 786 a-Alanine, conf. I
445837.7532 1.0120 -4.4422 3 726.4002567 89502 30394 787 93 886 a-Alanine, conf. I
445837.7532 1.0120 -4.4422 3 726.4002567 89502 30394 887 93 786 a-Alanine, conf. I
445837.7532 1.0120 -5.0328 3 726.4002567 89502 30394 887 93 886 a-Alanine, conf. I
445838.6272 1.0847 -5.6265 3 855.8085495 89502 303825725 815724 a-Alanine, conf. I
445838.6272 1.0847 -5.6265 3 855.8085495 89502 303825726 815725 a-Alanine, conf. I
445849.2341 0.7493 -4.8877 3 600.3014465 89502 303772750 762749 a-Alanine, conf. I
445864.5338 0.8908 -5.0350 3 707.8752537 89502 303891475 881474 a-Alanine, conf. I
445864.5338 0.8908 -4.5172 3 707.8752537 89502 303891475 881574 a-Alanine, conf. I
445864.5338 0.8908 -4.5172 3 707.8752537 89502 303891575 881474 a-Alanine, conf. I
445864.5338 0.8908 -5.0350 3 707.8752537 89502 303891575 881574 a-Alanine, conf. I
445910.4265 0.2654 -4.1767 3 356.9164345 89502 303573028 562927 a-Alanine, conf. I
445910.4267 0.2654 -5.1565 3 356.9164345 89502 303573027 562927 a-Alanine, conf. I
445910.4276 0.2654 -5.1565 3 356.9164345 89502 303573028 562928 a-Alanine, conf. I
445910.4278 0.2654 -4.1767 3 356.9164345 89502 303573027 562928 a-Alanine, conf. I
445914.1679 0.9063 -4.6254 3 677.9259507 89502 303842163 832262 a-Alanine, conf. I
445914.1693 0.9063 -5.0125 3 677.9259507 89502 303842263 832262 a-Alanine, conf. I
445914.1711 0.9063 -5.0125 3 677.9259507 89502 303842163 832162 a-Alanine, conf. I
445914.1726 0.9063 -4.6254 3 677.9259507 89502 303842263 832162 a-Alanine, conf. I
445951.1244 3.3993 -4.5998 3 390.5207375 89502 303622438 612339 a-Alanine, conf. I
445969.5628 0.2818 -4.2175 3 363.2513351 89502 303582930 572829 a-Alanine, conf. I
445969.5714 0.2818 -5.1683 3 363.2513351 89502 303582929 572829 a-Alanine, conf. I
445969.6041 0.2818 -5.1683 3 363.2513351 89502 303582930 572830 a-Alanine, conf. I
445969.6126 0.2818 -4.2175 3 363.2513351 89502 303582929 572830 a-Alanine, conf. I
445972.9983 1.4103 -5.2574 3 429.8223393 89502 303652540 642440 a-Alanine, conf. I
446032.4502 1.1092 -5.5940 3 847.0689495 89502 303825626 815625 a-Alanine, conf. I
446032.4502 1.1092 -5.5940 3 847.0689495 89502 303825627 815626 a-Alanine, conf. I
446074.0409 1.4819 -5.0249 3 734.1032585 89502 30397 394 96 393 a-Alanine, conf. I
446074.0409 1.4819 -4.4051 3 734.1032585 89502 30397 394 96 493 a-Alanine, conf. I
446074.0409 1.4819 -4.4051 3 734.1032585 89502 30397 494 96 393 a-Alanine, conf. I
446074.0409 1.4819 -5.0249 3 734.1032585 89502 30397 494 96 493 a-Alanine, conf. I
446150.6512 1.1023 -5.2732 3 351.9482369 89502 303611546 601446 a-Alanine, conf. I
446150.7046 1.1023 -5.2732 3 351.9482369 89502 303611646 601546 a-Alanine, conf. I
446179.5403 3.6933 -4.9799 3 641.4548477 89502 303793148 783147 a-Alanine, conf. I
446225.4410 2.5848 -5.0464 3 668.9777483 89502 303803447 793446 a-Alanine, conf. I
446233.2324 2.5925 -5.0463 3 668.9779483 89502 303803446 793445 a-Alanine, conf. I
446239.2163 1.1388 -5.5625 3 838.4939495 89502 303825527 815526 a-Alanine, conf. I
446239.2163 1.1388 -5.5625 3 838.4939495 89502 303825528 815527 a-Alanine, conf. I
446368.8493 1.9519 -5.1729 3 715.4486489 89502 303814041 804040 a-Alanine, conf. I
446368.8493 1.9519 -5.1729 3 715.4486489 89502 303814042 804041 a-Alanine, conf. I
446411.9342 0.9123 -5.0313 3 698.6093525 89502 303871770 861769 a-Alanine, conf. I
446411.9342 0.9123 -4.5582 3 698.6093525 89502 303871770 861869 a-Alanine, conf. I
446411.9342 0.9123 -4.5582 3 698.6093525 89502 303871870 861769 a-Alanine, conf. I
446411.9342 0.9123 -5.0313 3 698.6093525 89502 303871870 861869 a-Alanine, conf. I
446459.9807 1.1733 -5.5320 3 830.0842495 89502 303825428 815427 a-Alanine, conf. I
446459.9807 1.1733 -5.5320 3 830.0842495 89502 303825429 815428 a-Alanine, conf. I
446488.9985 0.6458 -5.3622 3 319.1019363 89502 303601050 59 950 a-Alanine, conf. I
446488.9985 0.6458 -5.3622 3 319.1019363 89502 303601150 591050 a-Alanine, conf. I
446508.2767 0.1608 -5.0684 3 326.3038297 89502 303493910 483810 a-Alanine, conf. I
446508.2767 0.1608 -3.9461 3 326.3038297 89502 303493910 483811 a-Alanine, conf. I
446508.2767 0.1608 -3.9461 3 326.3038297 89502 303493911 483810 a-Alanine, conf. I
446508.2767 0.1608 -5.0684 3 326.3038297 89502 303493911 483811 a-Alanine, conf. I
446563.8589 0.8957 -5.0389 3 721.9387555 89502 303921082 911081 a-Alanine, conf. I
446563.8589 0.8957 -4.4751 3 721.9387555 89502 303921082 911181 a-Alanine, conf. I
446563.8589 0.8957 -4.4751 3 721.9387555 89502 303921182 911081 a-Alanine, conf. I
446563.8589 0.8957 -5.0389 3 721.9387555 89502 303921182 911181 a-Alanine, conf. I
446576.3325 2.4677 -4.8095 3 627.0536477 89502 303792753 782652 a-Alanine, conf. I
446656.9125 7.0033 -4.8349 3 583.2234459 89502 303762750 752649 a-Alanine, conf. I
446662.5780 0.8910 -4.9633 3 641.9498483 89502 303802754 792753 a-Alanine, conf. I
446695.9217 1.2123 -5.5023 3 821.8405495 89502 303825329 815328 a-Alanine, conf. I
446695.9217 1.2123 -5.5023 3 821.8405495 89502 303825330 815329 a-Alanine, conf. I
446815.9672 2.7600 -4.9659 3 637.6760477 89502 303793050 783049 a-Alanine, conf. I
446816.4435 0.8987 -4.7490 3 652.8067489 89502 303812556 802655 a-Alanine, conf. I
446848.4171 1.6306 -5.2499 3 374.6477375 89502 303621844 611744 a-Alanine, conf. I
446873.9272 1.6203 -5.2499 3 374.6479375 89502 303621944 611844 a-Alanine, conf. I
446930.1176 0.8796 -4.9795 3 652.8067489 89502 303812656 802655 a-Alanine, conf. I
446948.3605 1.2554 -5.4735 3 813.7637495 89502 303825230 815229 a-Alanine, conf. I
446948.3605 1.2554 -5.4735 3 813.7637495 89502 303825231 815230 a-Alanine, conf. I
447034.0322 1.1039 -5.0359 3 732.3726573 89502 30395 689 94 688 a-Alanine, conf. I
447034.0322 1.1039 -4.4372 3 732.3726573 89502 30395 689 94 788 a-Alanine, conf. I
447034.0322 1.1039 -4.4372 3 732.3726573 89502 30395 789 94 688 a-Alanine, conf. I
447034.0322 1.1039 -5.0359 3 732.3726573 89502 30395 789 94 788 a-Alanine, conf. I
447034.0622 0.8725 -4.9792 3 652.7994489 89502 303812556 802555 a-Alanine, conf. I
447073.5713 2.0486 -5.1526 3 709.6635489 89502 303813943 803942 a-Alanine, conf. I
447073.5714 2.0486 -5.1526 3 709.6635489 89502 303813942 803941 a-Alanine, conf. I
447087.2221 0.9173 -4.6088 3 687.1832513 89502 303852065 842164 a-Alanine, conf. I
447087.2221 0.9173 -5.0224 3 687.1832513 89502 303852165 842164 a-Alanine, conf. I
447087.2222 0.9173 -5.0224 3 687.1832513 89502 303852065 842064 a-Alanine, conf. I
447087.2222 0.9173 -4.6088 3 687.1832513 89502 303852165 842064 a-Alanine, conf. I
447147.7363 0.8731 -4.7483 3 652.7994489 89502 303812656 802555 a-Alanine, conf. I
447166.3537 0.8916 -5.0409 3 715.4389543 89502 303901377 891376 a-Alanine, conf. I
447166.3537 0.8916 -4.5099 3 715.4389543 89502 303901377 891476 a-Alanine, conf. I
447166.3537 0.8916 -4.5099 3 715.4389543 89502 303901477 891376 a-Alanine, conf. I
447166.3537 0.8916 -5.0409 3 715.4389543 89502 303901477 891476 a-Alanine, conf. I
447174.2108 1.6717 -5.0264 3 739.1623591 89502 30398 296 97 295 a-Alanine, conf. I
447174.2108 1.6717 -4.4003 3 739.1623591 89502 30398 296 97 395 a-Alanine, conf. I
447174.2108 1.6717 -4.4003 3 739.1623591 89502 30398 396 97 295 a-Alanine, conf. I
447174.2108 1.6717 -5.0264 3 739.1623591 89502 30398 396 97 395 a-Alanine, conf. I
447187.4810 0.1659 -5.0778 3 329.3869303 89502 303503812 493712 a-Alanine, conf. I
447187.4810 0.1659 -3.9663 3 329.3869303 89502 303503812 493713 a-Alanine, conf. I
447187.4810 0.1659 -3.9663 3 329.3869303 89502 303503813 493712 a-Alanine, conf. I
447187.4810 0.1659 -5.0778 3 329.3869303 89502 303503813 493713 a-Alanine, conf. I
447218.7849 1.3023 -5.4455 3 805.8546495 89502 303825131 815130 a-Alanine, conf. I
447218.7849 1.3023 -5.4455 3 805.8546495 89502 303825132 815131 a-Alanine, conf. I
447241.2652 2.0792 -4.9539 3 634.1659477 89502 303792951 782950 a-Alanine, conf. I
447294.2075 0.5078 -5.2286 3 405.1176381 89502 303632539 622439 a-Alanine, conf. I
447304.4750 3.8730 -4.9126 3 277.8442321 89502 303531835 521736 a-Alanine, conf. I
447330.0272 0.8311 -5.1614 3 202.4961285 89502 303471136 461037 a-Alanine, conf. I
447330.3413 0.8311 -5.1614 3 202.4961285 89502 303471236 46 937 a-Alanine, conf. I
447384.3033 1.6708 -4.9135 3 268.2034315 89502 303521934 511635 a-Alanine, conf. I
447437.6522 0.8969 -4.7086 3 663.2796495 89502 303822458 812557 a-Alanine, conf. I
447445.0425 0.8961 -4.9940 3 663.2796495 89502 303822558 812557 a-Alanine, conf. I
447448.8118 3.8244 -4.8895 3 602.5372465 89502 303772849 762848 a-Alanine, conf. I
447452.5755 0.8955 -4.9940 3 663.2791495 89502 303822458 812457 a-Alanine, conf. I
447459.9657 0.8948 -4.7085 3 663.2791495 89502 303822558 812457 a-Alanine, conf. I
447508.8777 1.3530 -5.4183 3 798.1144495 89502 303825032 815031 a-Alanine, conf. I
447508.8777 1.3530 -5.4183 3 798.1144495 89502 303825033 815032 a-Alanine, conf. I
447577.0847 1.3989 -5.0078 3 229.1353297 89502 303491435 481336 a-Alanine, conf. I
447659.1766 1.3824 -5.0077 3 229.1352297 89502 303491535 481236 a-Alanine, conf. I
447711.1793 0.9155 -5.0387 3 706.8775531 89502 303881672 871671 a-Alanine, conf. I
447711.1793 0.9155 -4.5486 3 706.8775531 89502 303881672 871771 a-Alanine, conf. I
447711.1793 0.9155 -4.5486 3 706.8775531 89502 303881772 871671 a-Alanine, conf. I
447711.1793 0.9155 -5.0387 3 706.8775531 89502 303881772 871771 a-Alanine, conf. I
447719.2508 0.3994 -4.4202 3 396.5477375 89502 303622637 612536 a-Alanine, conf. I
447721.2093 0.9353 -4.9609 3 641.8692483 89502 303802654 792653 a-Alanine, conf. I
447741.2295 2.7924 -5.0283 3 664.4678483 89502 303803348 793347 a-Alanine, conf. I
447754.9195 0.6310 -5.3915 3 314.1856363 89502 30360 951 59 851 a-Alanine, conf. I
447754.9195 0.6310 -5.3915 3 314.1856363 89502 303601051 59 951 a-Alanine, conf. I
447797.2551 2.8437 -5.0282 3 664.4696483 89502 303803347 793346 a-Alanine, conf. I
447810.5716 2.3111 -5.2464 3 393.0491381 89502 303632043 621943 a-Alanine, conf. I
447816.9998 0.9275 -5.0431 3 728.5983561 89502 30393 984 92 983 a-Alanine, conf. I
447816.9998 0.9275 -4.4696 3 728.5983561 89502 30393 984 921083 a-Alanine, conf. I
447816.9998 0.9275 -4.4696 3 728.5983561 89502 303931084 92 983 a-Alanine, conf. I
447816.9998 0.9275 -5.0431 3 728.5983561 89502 303931084 921083 a-Alanine, conf. I
447820.5525 1.4072 -5.3919 3 790.5441495 89502 303824933 814932 a-Alanine, conf. I
447820.5525 1.4072 -5.3919 3 790.5441495 89502 303824934 814933 a-Alanine, conf. I
447847.5256 0.1754 -5.0874 3 332.8291309 89502 303513714 503614 a-Alanine, conf. I
447847.5256 0.1754 -3.9878 3 332.8291309 89502 303513714 503615 a-Alanine, conf. I
447847.5256 0.1754 -3.9878 3 332.8291309 89502 303513715 503614 a-Alanine, conf. I
447847.5256 0.1754 -5.0874 3 332.8291309 89502 303513715 503615 a-Alanine, conf. I
447860.6471 2.1552 -5.1328 3 704.0765489 89502 303813844 803843 a-Alanine, conf. I
447860.6494 2.1553 -5.1328 3 704.0765489 89502 303813843 803842 a-Alanine, conf. I
447980.2522 0.3392 -5.2161 3 396.5477375 89502 303622636 612536 a-Alanine, conf. I
448037.0412 0.9772 -5.2870 3 347.7013369 89502 303611447 601347 a-Alanine, conf. I
448037.0453 0.9772 -5.2870 3 347.7013369 89502 303611547 601447 a-Alanine, conf. I
448067.5684 0.9213 -5.2653 3 442.4206399 89502 303662541 652441 a-Alanine, conf. I
448155.9969 1.4648 -5.3662 3 783.1450495 89502 303824834 814833 a-Alanine, conf. I
448155.9969 1.4648 -5.3662 3 783.1450495 89502 303824835 814834 a-Alanine, conf. I
448160.5778 5.6850 -4.7032 3 376.2046369 89502 303612338 602239 a-Alanine, conf. I
448206.1959 1.2211 -5.0386 3 738.1281579 89502 30396 591 95 590 a-Alanine, conf. I
448206.1959 1.2211 -4.4323 3 738.1281579 89502 30396 591 95 690 a-Alanine, conf. I
448206.1959 1.2211 -4.4323 3 738.1281579 89502 30396 691 95 590 a-Alanine, conf. I
448206.1959 1.2211 -5.0386 3 738.1281579 89502 30396 691 95 690 a-Alanine, conf. I
448245.6865 0.9105 -4.6789 3 673.4131501 89502 303832360 822459 a-Alanine, conf. I
448245.7490 1.8860 -5.0275 3 743.9989597 89502 30399 198 98 197 a-Alanine, conf. I
448245.7490 1.8860 -4.3955 3 743.9989597 89502 30399 198 98 297 a-Alanine, conf. I
448245.7490 1.8860 -4.3955 3 743.9989597 89502 30399 298 98 197 a-Alanine, conf. I
448245.7490 1.8860 -5.0275 3 743.9989597 89502 30399 298 98 297 a-Alanine, conf. I
448246.0770 0.9104 -5.0069 3 673.4131501 89502 303832460 822459 a-Alanine, conf. I
448246.5102 0.9104 -5.0069 3 673.4130501 89502 303832360 822359 a-Alanine, conf. I
448246.9007 0.9104 -4.6789 3 673.4130501 89502 303832460 822359 a-Alanine, conf. I
448316.4005 0.9269 -5.0317 3 696.1920519 89502 303861967 851966 a-Alanine, conf. I
448316.4005 0.9269 -4.5948 3 696.1920519 89502 303861967 852066 a-Alanine, conf. I
448316.4005 0.9269 -4.5948 3 696.1920519 89502 303862067 851966 a-Alanine, conf. I
448316.4005 0.9269 -5.0317 3 696.1920519 89502 303862067 852066 a-Alanine, conf. I
448360.1318 0.2521 -5.0309 3 324.1494273 89502 3034544 1 4443 1 a-Alanine, conf. I
448360.1318 0.2521 -3.8688 3 324.1494273 89502 3034544 1 4443 2 a-Alanine, conf. I
448360.1318 0.2521 -3.8688 3 324.1494273 89502 3034544 2 4443 1 a-Alanine, conf. I
448360.1318 0.2521 -5.0309 3 324.1494273 89502 3034544 2 4443 2 a-Alanine, conf. I
448459.2719 0.8954 -5.0465 3 722.7861549 89502 303911279 901278 a-Alanine, conf. I
448459.2719 0.8954 -4.5033 3 722.7861549 89502 303911279 901378 a-Alanine, conf. I
448459.2719 0.8954 -4.5033 3 722.7861549 89502 303911379 901278 a-Alanine, conf. I
448459.2719 0.8954 -5.0465 3 722.7861549 89502 303911379 901378 a-Alanine, conf. I
448462.4152 2.0645 -5.2452 3 393.0578381 89502 303632143 622043 a-Alanine, conf. I
448470.8186 0.9909 -5.5887 3 192.7371267 89502 303441826 431529 a-Alanine, conf. I
448482.6109 0.1875 -5.0973 3 336.6341315 89502 303523616 513516 a-Alanine, conf. I
448482.6109 0.1875 -4.0108 3 336.6341315 89502 303523616 513517 a-Alanine, conf. I
448482.6109 0.1875 -4.0108 3 336.6341315 89502 303523617 513516 a-Alanine, conf. I
448482.6109 0.1875 -5.0973 3 336.6341315 89502 303523617 513517 a-Alanine, conf. I
448498.6762 0.3251 -4.9834 3 270.6526315 89502 303522033 511734 a-Alanine, conf. I
448517.7285 1.5258 -5.3412 3 775.9186495 89502 303824735 814734 a-Alanine, conf. I
448517.7285 1.5258 -5.3412 3 775.9186495 89502 303824736 814735 a-Alanine, conf. I
448581.7191 0.3251 -5.2150 3 396.5189375 89502 303622637 612537 a-Alanine, conf. I
448747.2709 2.2747 -5.1135 3 698.6937489 89502 303813745 803744 a-Alanine, conf. I
448747.2950 2.2748 -5.1135 3 698.6937489 89502 303813744 803743 a-Alanine, conf. I
448779.7262 0.5960 -5.3081 3 187.5264279 89502 30346 937 45 838 a-Alanine, conf. I
448779.7293 0.5960 -5.3081 3 187.5264279 89502 303461037 45 738 a-Alanine, conf. I
448842.7205 0.3748 -4.4184 3 396.5189375 89502 303622636 612537 a-Alanine, conf. I
448908.6646 1.5903 -5.3169 3 768.8665495 89502 303824636 814635 a-Alanine, conf. I
448908.6646 1.5903 -5.3169 3 768.8665495 89502 303824637 814636 a-Alanine, conf. I
448941.2849 0.6456 -5.4262 3 309.1254363 89502 30360 852 59 752 a-Alanine, conf. I
448941.2849 0.6456 -5.4262 3 309.1254363 89502 30360 952 59 852 a-Alanine, conf. I
448969.3264 2.3001 -5.3603 3 232.5711291 89502 303482029 471730 a-Alanine, conf. I
449016.1499 0.9168 -5.0457 3 714.9226537 89502 303891574 881573 a-Alanine, conf. I
449016.1499 0.9168 -4.5401 3 714.9226537 89502 303891574 881673 a-Alanine, conf. I
449016.1499 0.9168 -4.5401 3 714.9226537 89502 303891674 881573 a-Alanine, conf. I
449016.1499 0.9168 -5.0457 3 714.9226537 89502 303891674 881673 a-Alanine, conf. I
449050.7332 0.9772 -5.0470 3 735.0428567 89502 30394 886 93 885 a-Alanine, conf. I
449050.7332 0.9772 -4.4643 3 735.0428567 89502 30394 886 93 985 a-Alanine, conf. I
449050.7332 0.9772 -4.4643 3 735.0428567 89502 30394 986 93 885 a-Alanine, conf. I
449050.7332 0.9772 -5.0470 3 735.0428567 89502 30394 986 93 985 a-Alanine, conf. I
449079.9901 1.6532 -4.8050 3 641.8692483 89502 303802754 792653 a-Alanine, conf. I
449082.9864 0.2159 -5.0389 3 325.6621279 89502 3034643 3 4542 3 a-Alanine, conf. I
449082.9864 0.2159 -3.8843 3 325.6621279 89502 3034643 3 4542 4 a-Alanine, conf. I
449082.9864 0.2159 -3.8843 3 325.6621279 89502 3034643 4 4542 3 a-Alanine, conf. I
449082.9864 0.2159 -5.0389 3 325.6621279 89502 3034643 4 4542 4 a-Alanine, conf. I
449085.0928 0.2010 -5.1076 3 340.8067321 89502 303533518 523418 a-Alanine, conf. I
449085.0928 0.2010 -4.0353 3 340.8067321 89502 303533518 523419 a-Alanine, conf. I
449085.0928 0.2010 -4.0353 3 340.8067321 89502 303533519 523418 a-Alanine, conf. I
449085.0928 0.2010 -5.1076 3 340.8067321 89502 303533519 523419 a-Alanine, conf. I
449093.8582 1.1242 -4.9091 3 615.1733471 89502 303782751 772750 a-Alanine, conf. I
449160.9218 0.5003 -5.5064 3 172.5440273 89502 30345 738 44 639 a-Alanine, conf. I
449160.9218 0.5003 -5.5064 3 172.5440273 89502 30345 838 44 539 a-Alanine, conf. I
449234.9683 0.9231 -4.6556 3 683.2447507 89502 303842262 832361 a-Alanine, conf. I
449234.9855 0.9231 -5.0187 3 683.2447507 89502 303842362 832361 a-Alanine, conf. I
449235.0059 0.9231 -5.0187 3 683.2447507 89502 303842262 832261 a-Alanine, conf. I
449235.0231 0.9231 -4.6556 3 683.2447507 89502 303842362 832261 a-Alanine, conf. I
449287.6640 2.1243 -5.0283 3 748.6111603 89502 303A0 0A0 99 099 a-Alanine, conf. I
449287.6640 2.1243 -4.3907 3 748.6111603 89502 303A0 0A0 99 199 a-Alanine, conf. I
449287.6640 2.1243 -4.3907 3 748.6111603 89502 303A0 1A0 99 099 a-Alanine, conf. I
449287.6640 2.1243 -5.0283 3 748.6111603 89502 303A0 1A0 99 199 a-Alanine, conf. I
449332.2125 1.6585 -5.2933 3 761.9905495 89502 303824537 814536 a-Alanine, conf. I
449332.2125 1.6585 -5.2933 3 761.9905495 89502 303824538 814537 a-Alanine, conf. I
449352.8719 1.3643 -5.0409 3 743.6653585 89502 30397 493 96 492 a-Alanine, conf. I
449352.8719 1.3643 -4.4276 3 743.6653585 89502 30397 493 96 592 a-Alanine, conf. I
449352.8719 1.3643 -4.4276 3 743.6653585 89502 30397 593 96 492 a-Alanine, conf. I
449352.8719 1.3643 -5.0409 3 743.6653585 89502 30397 593 96 592 a-Alanine, conf. I
449438.8676 1.4105 -5.2411 3 414.1193387 89502 303642441 632341 a-Alanine, conf. I
449515.9443 1.4333 -5.2582 3 370.8347375 89502 303621745 611645 a-Alanine, conf. I
449518.8092 1.4321 -5.2582 3 370.8347375 89502 303621845 611745 a-Alanine, conf. I
449523.9505 3.0019 -5.0106 3 660.2237483 89502 303803249 793248 a-Alanine, conf. I
449581.8075 0.9345 -5.0403 3 704.9619525 89502 303871869 861868 a-Alanine, conf. I
449581.8075 0.9345 -4.5829 3 704.9619525 89502 303871869 861968 a-Alanine, conf. I
449581.8075 0.9345 -4.5829 3 704.9619525 89502 303871969 861868 a-Alanine, conf. I
449581.8075 0.9345 -5.0403 3 704.9619525 89502 303871969 861968 a-Alanine, conf. I
449612.5666 7.2306 -4.7371 3 483.4822417 89502 303692644 682543 a-Alanine, conf. I
449644.7859 0.2155 -5.1181 3 345.3521327 89502 303543420 533320 a-Alanine, conf. I
449644.7859 0.2155 -4.0617 3 345.3521327 89502 303543420 533321 a-Alanine, conf. I
449644.7859 0.2155 -4.0617 3 345.3521327 89502 303543421 533320 a-Alanine, conf. I
449644.7859 0.2155 -5.1181 3 345.3521327 89502 303543421 533321 a-Alanine, conf. I
449739.8086 0.9051 -5.0517 3 729.9179555 89502 303921181 911180 a-Alanine, conf. I
449739.8086 0.9051 -4.4973 3 729.9179555 89502 303921181 911280 a-Alanine, conf. I
449739.8086 0.9051 -4.4973 3 729.9179555 89502 303921281 911180 a-Alanine, conf. I
449739.8086 0.9051 -5.0517 3 729.9179555 89502 303921281 911280 a-Alanine, conf. I
449749.3153 0.8695 -5.3030 3 343.2897369 89502 303611348 601248 a-Alanine, conf. I
449749.3156 0.8695 -5.3030 3 343.2897369 89502 303611448 601348 a-Alanine, conf. I
449756.9063 2.4116 -5.0946 3 693.5231489 89502 303813646 803645 a-Alanine, conf. I
449757.1410 2.4119 -5.0946 3 693.5231489 89502 303813645 803644 a-Alanine, conf. I
449759.8148 5.3408 -4.9220 3 619.9387471 89502 303782949 772948 a-Alanine, conf. I
449792.3882 1.7307 -5.2703 3 755.2927495 89502 303824438 814437 a-Alanine, conf. I
449792.3882 1.7307 -5.2703 3 755.2927495 89502 303824439 814438 a-Alanine, conf. I
449800.0468 0.1893 -5.0471 3 327.5227285 89502 3034742 5 4641 5 a-Alanine, conf. I
449800.0468 0.1893 -3.9007 3 327.5227285 89502 3034742 5 4641 6 a-Alanine, conf. I
449800.0468 0.1893 -3.9007 3 327.5227285 89502 3034742 6 4641 5 a-Alanine, conf. I
449800.0468 0.1893 -5.0471 3 327.5227285 89502 3034742 6 4641 6 a-Alanine, conf. I
449869.9255 3.2896 -5.0099 3 660.2361483 89502 303803248 793247 a-Alanine, conf. I
449914.2696 0.3094 -4.3431 3 388.4845369 89502 303612735 602634 a-Alanine, conf. I
449929.6310 0.3110 -5.2012 3 388.4845369 89502 303612734 602634 a-Alanine, conf. I
449972.5595 0.3157 -5.2011 3 388.4826369 89502 303612735 602635 a-Alanine, conf. I
449987.9209 0.3180 -4.3430 3 388.4826369 89502 303612734 602635 a-Alanine, conf. I
450026.2139 2.0578 -5.2449 3 411.1650387 89502 303642342 632242 a-Alanine, conf. I
450057.8894 0.6869 -5.4675 3 303.9237363 89502 30360 753 59 653 a-Alanine, conf. I
450057.8894 0.6869 -5.4675 3 303.9237363 89502 30360 853 59 753 a-Alanine, conf. I
450123.3399 8.4965 -4.8405 3 568.8026453 89502 303752749 742648 a-Alanine, conf. I
450147.9200 0.2308 -5.1289 3 350.2772333 89502 303553322 543222 a-Alanine, conf. I
450147.9200 0.2308 -4.0901 3 350.2772333 89502 303553322 543223 a-Alanine, conf. I
450147.9200 0.2308 -4.0901 3 350.2772333 89502 303553323 543222 a-Alanine, conf. I
450147.9200 0.2308 -5.1289 3 350.2772333 89502 303553323 543223 a-Alanine, conf. I
450153.0775 1.1999 -4.8075 3 656.8489489 89502 303812655 802754 a-Alanine, conf. I
450173.5851 1.6913 -4.9725 3 241.0439303 89502 303501535 491436 a-Alanine, conf. I
450263.1571 1.0484 -5.0506 3 741.2718573 89502 30395 788 94 787 a-Alanine, conf. I
450263.1571 1.0484 -4.4594 3 741.2718573 89502 30395 788 94 887 a-Alanine, conf. I
450263.1571 1.0484 -4.4594 3 741.2718573 89502 30395 888 94 787 a-Alanine, conf. I
450263.1571 1.0484 -5.0506 3 741.2718573 89502 30395 888 94 887 a-Alanine, conf. I
450279.3090 1.1340 -4.9643 3 645.6005483 89502 303802853 792852 a-Alanine, conf. I
450293.9741 1.8073 -5.2479 3 748.7754495 89502 303824339 814338 a-Alanine, conf. I
450293.9741 1.8073 -5.2479 3 748.7754495 89502 303824340 814339 a-Alanine, conf. I
450320.4901 0.9171 -5.0523 3 722.7477543 89502 303901476 891475 a-Alanine, conf. I
450320.4901 0.9171 -4.5326 3 722.7477543 89502 303901476 891575 a-Alanine, conf. I
450320.4901 0.9171 -4.5326 3 722.7477543 89502 303901576 891475 a-Alanine, conf. I
450320.4901 0.9171 -5.0523 3 722.7477543 89502 303901576 891575 a-Alanine, conf. I
450343.4289 0.9350 -4.6369 3 692.8000513 89502 303852164 842263 a-Alanine, conf. I
450343.4295 0.9350 -5.0295 3 692.8000513 89502 303852264 842263 a-Alanine, conf. I
450343.4303 0.9350 -5.0295 3 692.8000513 89502 303852164 842163 a-Alanine, conf. I
450343.4310 0.9350 -4.6369 3 692.8000513 89502 303852264 842163 a-Alanine, conf. I
450369.8595 0.3683 -5.6178 3 186.8103261 89502 303431924 421627 a-Alanine, conf. I
450415.4388 1.6304 -4.5293 3 405.1176381 89502 303632538 622439 a-Alanine, conf. I
450472.8135 1.5332 -5.0430 3 748.9826591 89502 30398 395 97 394 a-Alanine, conf. I
450472.8135 1.5332 -4.4230 3 748.9826591 89502 30398 395 97 494 a-Alanine, conf. I
450472.8135 1.5332 -4.4230 3 748.9826591 89502 30398 495 97 394 a-Alanine, conf. I
450472.8135 1.5332 -5.0430 3 748.9826591 89502 30398 495 97 494 a-Alanine, conf. I
450500.1259 1.6247 -4.9720 3 241.0436303 89502 303501635 491336 a-Alanine, conf. I
450509.5768 0.1730 -5.0556 3 329.7329291 89502 3034841 7 4740 7 a-Alanine, conf. I
450509.5768 0.1730 -3.9181 3 329.7329291 89502 3034841 7 4740 8 a-Alanine, conf. I
450509.5768 0.1730 -3.9181 3 329.7329291 89502 3034841 8 4740 7 a-Alanine, conf. I
450509.5768 0.1730 -5.0556 3 329.7329291 89502 3034841 8 4740 8 a-Alanine, conf. I
450575.5190 0.2468 -5.1400 3 355.5902339 89502 303563224 553124 a-Alanine, conf. I
450575.5190 0.2468 -4.1211 3 355.5902339 89502 303563224 553125 a-Alanine, conf. I
450575.5190 0.2468 -4.1211 3 355.5902339 89502 303563225 553124 a-Alanine, conf. I
450575.5190 0.2468 -5.1400 3 355.5902339 89502 303563225 553125 a-Alanine, conf. I
450634.9705 3.6379 -4.8961 3 660.6202489 89502 303812754 802853 a-Alanine, conf. I
450746.6335 0.3092 -4.2841 3 380.9854363 89502 303602833 592732 a-Alanine, conf. I
450747.3112 0.3093 -5.1880 3 380.9854363 89502 303602832 592732 a-Alanine, conf. I
450749.5096 0.3096 -5.1879 3 380.9853363 89502 303602833 592733 a-Alanine, conf. I
450750.1874 0.3097 -4.2841 3 380.9853363 89502 303602832 592733 a-Alanine, conf. I
450842.7333 1.8889 -5.2261 3 742.4416495 89502 303824240 814239 a-Alanine, conf. I
450842.7333 1.8889 -5.2261 3 742.4416495 89502 303824241 814240 a-Alanine, conf. I
450869.4337 0.9397 -5.0485 3 713.5000531 89502 303881771 871770 a-Alanine, conf. I
450869.4337 0.9397 -4.5725 3 713.5000531 89502 303881771 871870 a-Alanine, conf. I
450869.4337 0.9397 -4.5725 3 713.5000531 89502 303881871 871770 a-Alanine, conf. I
450869.4337 0.9397 -5.0485 3 713.5000531 89502 303881871 871870 a-Alanine, conf. I
450900.7630 0.2635 -5.1515 3 361.3017345 89502 303573126 563026 a-Alanine, conf. I
450900.7630 0.2635 -4.1550 3 361.3017345 89502 303573127 563026 a-Alanine, conf. I
450900.7630 0.2635 -5.1515 3 361.3017345 89502 303573127 563027 a-Alanine, conf. I
450900.7631 0.2635 -4.1550 3 361.3017345 89502 303573126 563027 a-Alanine, conf. I
450901.3308 0.9028 -4.9807 3 656.8489489 89502 303812755 802754 a-Alanine, conf. I
450922.5879 2.5727 -5.0762 3 688.5748489 89502 303813547 803546 a-Alanine, conf. I
450924.6462 2.5748 -5.0762 3 688.5748489 89502 303813546 803545 a-Alanine, conf. I
451005.0579 0.9249 -5.0565 3 736.8345561 89502 303931083 921082 a-Alanine, conf. I
451005.0579 0.9249 -4.4917 3 736.8345561 89502 303931083 921182 a-Alanine, conf. I
451005.0579 0.9249 -4.4917 3 736.8345561 89502 303931183 921082 a-Alanine, conf. I
451005.0579 0.9249 -5.0565 3 736.8345561 89502 303931183 921182 a-Alanine, conf. I
451005.3088 5.1511 -4.9571 3 637.8816477 89502 303793049 783048 a-Alanine, conf. I
451012.2041 2.9699 -5.2522 3 407.9865387 89502 303642143 632043 a-Alanine, conf. I
451066.4051 0.2969 -4.2350 3 373.9779357 89502 303592931 582830 a-Alanine, conf. I
451066.4281 0.2969 -5.1754 3 373.9779357 89502 303592930 582830 a-Alanine, conf. I
451066.5127 0.2969 -5.1754 3 373.9779357 89502 303592931 582831 a-Alanine, conf. I
451066.5357 0.2969 -4.2350 3 373.9779357 89502 303592930 582831 a-Alanine, conf. I
451084.4371 0.2807 -4.1926 3 367.4250351 89502 303583029 572928 a-Alanine, conf. I
451084.4377 0.2807 -5.1632 3 367.4250351 89502 303583028 572928 a-Alanine, conf. I
451084.4402 0.2807 -5.1632 3 367.4250351 89502 303583029 572929 a-Alanine, conf. I
451084.4408 0.2807 -4.1926 3 367.4250351 89502 303583028 572929 a-Alanine, conf. I
451112.8270 0.7501 -5.5177 3 298.5825363 89502 30360 654 59 554 a-Alanine, conf. I
451112.8270 0.7501 -5.5177 3 298.5825363 89502 30360 754 59 654 a-Alanine, conf. I
451129.4482 0.9173 -4.7523 3 667.7147495 89502 303822557 812656 a-Alanine, conf. I
451188.0496 0.9089 -4.9969 3 667.7147495 89502 303822657 812656 a-Alanine, conf. I
451209.3355 0.1665 -5.0645 3 332.2950297 89502 3034940 9 4839 9 a-Alanine, conf. I
451209.3355 0.1665 -3.9365 3 332.2950297 89502 3034940 9 483910 a-Alanine, conf. I
451209.3355 0.1665 -3.9365 3 332.2950297 89502 303494010 4839 9 a-Alanine, conf. I
451209.3355 0.1665 -5.0645 3 332.2950297 89502 303494010 483910 a-Alanine, conf. I
451243.1222 0.9045 -4.9967 3 667.7109495 89502 303822557 812556 a-Alanine, conf. I
451248.9250 0.4438 -5.2725 3 455.2470405 89502 303672542 662442 a-Alanine, conf. I
451254.8441 2.7900 -4.9244 3 265.4059315 89502 303521735 511636 a-Alanine, conf. I
451301.7237 0.9018 -4.7519 3 667.7109495 89502 303822657 812556 a-Alanine, conf. I
451318.6116 0.7809 -5.3215 3 338.7193369 89502 303611249 601149 a-Alanine, conf. I
451318.6116 0.7809 -5.3215 3 338.7193369 89502 303611349 601249 a-Alanine, conf. I
451323.0748 1.1414 -5.6322 3 870.6801501 89502 303835726 825725 a-Alanine, conf. I
451323.0748 1.1414 -5.6322 3 870.6801501 89502 303835727 825726 a-Alanine, conf. I
451386.4563 8.3646 -5.0126 3 679.4440495 89502 303822854 812953 a-Alanine, conf. I
451420.4248 3.0592 -4.9934 3 656.2642483 89502 303803150 793149 a-Alanine, conf. I
451445.7081 1.9765 -5.2049 3 736.2945495 89502 303824141 814140 a-Alanine, conf. I
451445.7081 1.9765 -5.2049 3 736.2945495 89502 303824142 814141 a-Alanine, conf. I
451452.5940 1.1439 -5.0538 3 747.2841579 89502 30396 690 95 689 a-Alanine, conf. I
451452.5940 1.1439 -4.4547 3 747.2841579 89502 30396 690 95 789 a-Alanine, conf. I
451452.5940 1.1439 -4.4547 3 747.2841579 89502 30396 790 95 689 a-Alanine, conf. I
451452.5940 1.1439 -5.0538 3 747.2841579 89502 30396 790 95 789 a-Alanine, conf. I
451511.8575 0.6253 -4.4528 3 408.2304381 89502 303632638 622537 a-Alanine, conf. I
451511.8583 0.9046 -4.9794 3 656.8036489 89502 303812655 802654 a-Alanine, conf. I
451524.6194 1.1700 -5.6003 3 861.9470501 89502 303835627 825626 a-Alanine, conf. I
451524.6194 1.1700 -5.6003 3 861.9470501 89502 303835628 825627 a-Alanine, conf. I
451529.6333 0.9460 -4.6213 3 702.0964519 89502 303862066 852165 a-Alanine, conf. I
451529.6334 0.9460 -5.0396 3 702.0964519 89502 303862066 852065 a-Alanine, conf. I
451529.6334 0.9460 -4.6213 3 702.0964519 89502 303862166 852065 a-Alanine, conf. I
451529.6334 0.9460 -5.0396 3 702.0964519 89502 303862166 852165 a-Alanine, conf. I
451533.8065 6.7361 -4.8480 3 337.3869351 89502 303582137 572038 a-Alanine, conf. I
451564.8787 1.7275 -5.0446 3 754.0784597 89502 30399 297 98 296 a-Alanine, conf. I
451564.8787 1.7275 -4.4184 3 754.0784597 89502 30399 297 98 396 a-Alanine, conf. I
451564.8787 1.7275 -4.4184 3 754.0784597 89502 30399 397 98 296 a-Alanine, conf. I
451564.8787 1.7275 -5.0446 3 754.0784597 89502 30399 397 98 396 a-Alanine, conf. I
451570.7838 0.9994 -5.1049 3 214.0724291 89502 303481236 471137 a-Alanine, conf. I
451572.5040 0.9991 -5.1049 3 214.0724291 89502 303481336 471037 a-Alanine, conf. I
451619.1724 0.9182 -5.0584 3 730.3548549 89502 303911378 901377 a-Alanine, conf. I
451619.1724 0.9182 -4.5258 3 730.3548549 89502 303911378 901477 a-Alanine, conf. I
451619.1724 0.9182 -4.5258 3 730.3548549 89502 303911478 901377 a-Alanine, conf. I
451619.1724 0.9182 -5.0584 3 730.3548549 89502 303911478 901477 a-Alanine, conf. I
451693.6982 2.1088 -4.9443 3 253.1366309 89502 303511635 501536 a-Alanine, conf. I
451736.5586 4.1751 -5.2757 3 453.1985405 89502 303672443 662343 a-Alanine, conf. I
451739.6197 1.2037 -5.5694 3 853.3789501 89502 303835528 825527 a-Alanine, conf. I
451739.6197 1.2037 -5.5694 3 853.3789501 89502 303835529 825528 a-Alanine, conf. I
451749.3750 1.8974 -5.2506 3 389.5529381 89502 303631944 621844 a-Alanine, conf. I
451773.2389 0.9260 -4.7156 3 678.2048501 89502 303832459 822558 a-Alanine, conf. I
451776.8625 0.9256 -5.0113 3 678.2048501 89502 303832559 822558 a-Alanine, conf. I
451780.6291 0.9253 -5.0113 3 678.2046501 89502 303832459 822458 a-Alanine, conf. I
451784.2527 0.9250 -4.7156 3 678.2046501 89502 303832559 822458 a-Alanine, conf. I
451827.8307 1.2687 -5.2681 3 366.8302375 89502 303621646 611546 a-Alanine, conf. I
451828.1075 1.2686 -5.2681 3 366.8302375 89502 303621746 611646 a-Alanine, conf. I
451847.9910 1.8570 -5.2504 3 389.5540381 89502 303632044 621944 a-Alanine, conf. I
451866.9225 1.4968 -4.9315 3 630.1534477 89502 303792752 782751 a-Alanine, conf. I
451896.4311 0.1681 -5.0737 3 335.2112303 89502 303503911 493811 a-Alanine, conf. I
451896.4311 0.1681 -3.9560 3 335.2112303 89502 303503911 493812 a-Alanine, conf. I
451896.4311 0.1681 -3.9560 3 335.2112303 89502 303503912 493811 a-Alanine, conf. I
451896.4311 0.1681 -5.0737 3 335.2112303 89502 303503912 493812 a-Alanine, conf. I
451935.9854 4.8421 -5.2714 3 438.1235399 89502 303662343 652243 a-Alanine, conf. I
451969.1808 1.2420 -5.5394 3 844.9765501 89502 303835429 825428 a-Alanine, conf. I
451969.1808 1.2420 -5.5394 3 844.9765501 89502 303835430 825429 a-Alanine, conf. I
452041.2861 0.4408 -5.2258 3 408.2304381 89502 303632637 622537 a-Alanine, conf. I
452111.6456 2.0712 -5.1843 3 730.3378495 89502 303824043 814042 a-Alanine, conf. I
452111.6457 2.0712 -5.1843 3 730.3378495 89502 303824042 814041 a-Alanine, conf. I
452112.8756 0.8302 -5.5800 3 293.1038363 89502 30360 555 59 455 a-Alanine, conf. I
452112.8756 0.8302 -5.5800 3 293.1038363 89502 30360 655 59 555 a-Alanine, conf. I
452169.0222 0.9426 -5.0561 3 721.8115537 89502 303891673 881672 a-Alanine, conf. I
452169.0222 0.9426 -4.5635 3 721.8115537 89502 303891673 881772 a-Alanine, conf. I
452169.0222 0.9426 -4.5635 3 721.8115537 89502 303891773 881672 a-Alanine, conf. I
452169.0222 0.9426 -5.0561 3 721.8115537 89502 303891773 881772 a-Alanine, conf. I
452214.5380 1.2846 -5.5102 3 836.7407501 89502 303835330 825329 a-Alanine, conf. I
452214.5380 1.2846 -5.5102 3 836.7407501 89502 303835331 825330 a-Alanine, conf. I
452252.5527 0.9589 -5.0610 3 743.5358567 89502 30394 985 93 984 a-Alanine, conf. I
452252.5527 0.9589 -4.4865 3 743.5358567 89502 30394 985 931084 a-Alanine, conf. I
452252.5527 0.9589 -4.4865 3 743.5358567 89502 303941085 93 984 a-Alanine, conf. I
452252.5527 0.9589 -5.0610 3 743.5358567 89502 303941085 931084 a-Alanine, conf. I
452260.1116 1.1992 -4.8030 3 656.8036489 89502 303812755 802654 a-Alanine, conf. I
452290.5804 2.7661 -5.0580 3 683.8621489 89502 303813448 803447 a-Alanine, conf. I
452306.6212 2.7821 -5.0580 3 683.8626489 89502 303813447 803446 a-Alanine, conf. I
452339.4769 0.6951 -5.2374 3 417.0182387 89502 303642540 632440 a-Alanine, conf. I
452474.8684 3.9840 -5.2616 3 423.0306393 89502 303652243 642143 a-Alanine, conf. I
452477.0783 1.3313 -5.4819 3 828.6723501 89502 303835231 825230 a-Alanine, conf. I
452477.0783 1.3313 -5.4819 3 828.6723501 89502 303835232 825231 a-Alanine, conf. I
452554.3826 1.8530 -4.9685 3 649.0843483 89502 303802952 792951 a-Alanine, conf. I
452567.1225 0.1755 -5.0832 3 338.4846309 89502 303513813 503713 a-Alanine, conf. I
452567.1225 0.1755 -3.9767 3 338.4846309 89502 303513813 503714 a-Alanine, conf. I
452567.1225 0.1755 -3.9767 3 338.4846309 89502 303513814 503713 a-Alanine, conf. I
452567.1225 0.1755 -5.0832 3 338.4846309 89502 303513814 503714 a-Alanine, conf. I
452617.5472 1.2651 -5.0567 3 753.0787585 89502 30397 592 96 591 a-Alanine, conf. I
452617.5472 1.2651 -4.4501 3 753.0787585 89502 30397 592 96 691 a-Alanine, conf. I
452617.5472 1.2651 -4.4501 3 753.0787585 89502 30397 692 96 591 a-Alanine, conf. I
452617.5472 1.2651 -5.0567 3 753.0787585 89502 30397 692 96 691 a-Alanine, conf. I
452627.8462 0.9397 -4.6882 3 688.3649507 89502 303842361 832460 a-Alanine, conf. I
452628.0126 1.9465 -5.0460 3 758.9507603 89502 303A0 199 99 198 a-Alanine, conf. I
452628.0126 1.9465 -4.4139 3 758.9507603 89502 303A0 199 99 298 a-Alanine, conf. I
452628.0126 1.9465 -4.4139 3 758.9507603 89502 303A0 299 99 198 a-Alanine, conf. I
452628.0126 1.9465 -5.0460 3 758.9507603 89502 303A0 299 99 298 a-Alanine, conf. I
452628.0299 0.9397 -5.0242 3 688.3649507 89502 303842461 832460 a-Alanine, conf. I
452628.2367 0.9397 -5.0242 3 688.3649507 89502 303842361 832360 a-Alanine, conf. I
452628.4204 0.9397 -4.6882 3 688.3649507 89502 303842461 832360 a-Alanine, conf. I
452758.3656 1.3817 -5.4543 3 820.7722501 89502 303835132 825131 a-Alanine, conf. I
452758.3656 1.3817 -5.4543 3 820.7722501 89502 303835133 825132 a-Alanine, conf. I
452766.7641 0.9554 -5.0490 3 711.1462525 89502 303871968 861967 a-Alanine, conf. I
452766.7641 0.9554 -4.6082 3 711.1462525 89502 303871968 862067 a-Alanine, conf. I
452766.7641 0.9554 -4.6082 3 711.1462525 89502 303872068 861967 a-Alanine, conf. I
452766.7641 0.9554 -5.0490 3 711.1462525 89502 303872068 862067 a-Alanine, conf. I
452768.0950 0.7145 -5.3430 3 333.9952369 89502 303611150 601050 a-Alanine, conf. I
452768.0950 0.7145 -5.3430 3 333.9952369 89502 303611250 601150 a-Alanine, conf. I
452782.4886 2.6798 -4.9784 3 652.5801483 89502 303803051 793050 a-Alanine, conf. I
452851.6264 2.1746 -5.1642 3 724.5763495 89502 303823944 813943 a-Alanine, conf. I
452851.6269 2.1746 -5.1642 3 724.5763495 89502 303823943 813942 a-Alanine, conf. I
452866.9990 1.8703 -4.9427 3 253.1353309 89502 303511735 501436 a-Alanine, conf. I
452908.1330 0.9225 -5.0642 3 737.7451555 89502 303921280 911279 a-Alanine, conf. I
452908.1330 0.9225 -4.5196 3 737.7451555 89502 303921280 911379 a-Alanine, conf. I
452908.1330 0.9225 -4.5196 3 737.7451555 89502 303921380 911279 a-Alanine, conf. I
452908.1330 0.9225 -5.0642 3 737.7451555 89502 303921380 911379 a-Alanine, conf. I
452996.0132 2.2511 -5.2487 3 408.0169387 89502 303642243 632143 a-Alanine, conf. I
453044.5268 0.2831 -5.0281 3 330.9527273 89502 3034545 0 4444 0 a-Alanine, conf. I
453044.5268 0.2831 -3.8624 3 330.9527273 89502 3034545 0 4444 1 a-Alanine, conf. I
453044.5268 0.2831 -3.8624 3 330.9527273 89502 3034545 1 4444 0 a-Alanine, conf. I
453044.5268 0.2831 -5.0281 3 330.9527273 89502 3034545 1 4444 1 a-Alanine, conf. I
453060.1713 1.4358 -5.4275 3 813.0417501 89502 303835033 825032 a-Alanine, conf. I
453060.1713 1.4358 -5.4275 3 813.0417501 89502 303835034 825033 a-Alanine, conf. I
453164.5977 4.3070 -4.9899 3 656.3377483 89502 303803149 793148 a-Alanine, conf. I
453181.8915 0.3473 -5.2237 3 408.1746381 89502 303632638 622538 a-Alanine, conf. I
453216.5511 0.1865 -5.0930 3 342.1185315 89502 303523715 513615 a-Alanine, conf. I
453216.5511 0.1865 -3.9987 3 342.1185315 89502 303523715 513616 a-Alanine, conf. I
453216.5511 0.1865 -3.9987 3 342.1185315 89502 303523716 513615 a-Alanine, conf. I
453216.5511 0.1865 -5.0930 3 342.1185315 89502 303523716 513616 a-Alanine, conf. I
453286.8846 2.2981 -5.4591 3 223.4188285 89502 303472028 461729 a-Alanine, conf. I
453384.5133 1.4933 -5.4015 3 805.4818501 89502 303834934 824933 a-Alanine, conf. I
453384.5133 1.4933 -5.4015 3 805.4818501 89502 303834935 824934 a-Alanine, conf. I
453472.8171 0.9436 -5.0633 3 729.9002543 89502 303901575 891574 a-Alanine, conf. I
453472.8171 0.9436 -4.5556 3 729.9002543 89502 303901575 891674 a-Alanine, conf. I
453472.8171 0.9436 -4.5556 3 729.9002543 89502 303901675 891574 a-Alanine, conf. I
453472.8171 0.9436 -5.0633 3 729.9002543 89502 303901675 891674 a-Alanine, conf. I
453480.1671 1.0114 -5.0651 3 750.0216573 89502 30395 887 94 886 a-Alanine, conf. I
453480.1671 1.0114 -4.4816 3 750.0216573 89502 30395 887 94 986 a-Alanine, conf. I
453480.1671 1.0114 -4.4816 3 750.0216573 89502 30395 987 94 886 a-Alanine, conf. I
453480.1671 1.0114 -5.0651 3 750.0216573 89502 30395 987 94 986 a-Alanine, conf. I
453636.2547 0.7121 -5.2325 3 198.9407285 89502 303471037 46 938 a-Alanine, conf. I
453636.2760 0.7121 -5.2325 3 198.9407285 89502 303471137 46 838 a-Alanine, conf. I
453647.5881 0.9524 -4.6666 3 698.2296513 89502 303852263 842362 a-Alanine, conf. I
453647.5959 0.9524 -5.0360 3 698.2296513 89502 303852363 842362 a-Alanine, conf. I
453647.6053 0.9524 -5.0360 3 698.2296513 89502 303852263 842262 a-Alanine, conf. I
453647.6131 0.9524 -4.6666 3 698.2296513 89502 303852363 842262 a-Alanine, conf. I
453661.2349 2.1897 -5.0470 3 763.5977609 89502 303A1 0A1 A0 0A0 a-Alanine, conf. I
453661.2349 2.1897 -4.4093 3 763.5977609 89502 303A1 0A1 A0 1A0 a-Alanine, conf. I
453661.2349 2.1897 -4.4093 3 763.5977609 89502 303A1 1A1 A0 0A0 a-Alanine, conf. I
453661.2349 2.1897 -5.0470 3 763.5977609 89502 303A1 1A1 A0 1A0 a-Alanine, conf. I
453680.0248 2.2893 -5.1446 3 719.0155495 89502 303823845 813844 a-Alanine, conf. I
453680.0301 2.2893 -5.1446 3 719.0155495 89502 303823844 813843 a-Alanine, conf. I
453680.4757 2.7134 -4.9013 3 617.4625471 89502 303782850 772849 a-Alanine, conf. I
453711.3201 0.4837 -4.4494 3 408.1746381 89502 303632637 622538 a-Alanine, conf. I
453733.7030 1.5543 -5.3761 3 798.0939501 89502 303834835 824834 a-Alanine, conf. I
453733.7030 1.5543 -5.3761 3 798.0939501 89502 303834836 824835 a-Alanine, conf. I
453756.6675 1.4124 -5.0593 3 758.6541591 89502 30398 494 97 493 a-Alanine, conf. I
453756.6675 1.4124 -4.4456 3 758.6541591 89502 30398 494 97 593 a-Alanine, conf. I
453756.6675 1.4124 -4.4456 3 758.6541591 89502 30398 594 97 493 a-Alanine, conf. I
453756.6675 1.4124 -5.0593 3 758.6541591 89502 30398 594 97 593 a-Alanine, conf. I
453769.3375 0.2414 -5.0359 3 332.3042279 89502 3034644 2 4543 2 a-Alanine, conf. I
453769.3375 0.2414 -3.8774 3 332.3042279 89502 3034644 2 4543 3 a-Alanine, conf. I
453769.3375 0.2414 -3.8774 3 332.3042279 89502 3034644 3 4543 2 a-Alanine, conf. I
453769.3375 0.2414 -5.0359 3 332.3042279 89502 3034644 3 4543 3 a-Alanine, conf. I
453838.3651 0.1996 -5.1032 3 346.1170321 89502 303533617 523517 a-Alanine, conf. I
453838.3651 0.1996 -4.0222 3 346.1170321 89502 303533617 523518 a-Alanine, conf. I
453838.3651 0.1996 -4.0222 3 346.1170321 89502 303533618 523517 a-Alanine, conf. I
453838.3651 0.1996 -5.1032 3 346.1170321 89502 303533618 523518 a-Alanine, conf. I
453879.9135 1.1254 -5.2799 3 362.6462375 89502 303621547 611447 a-Alanine, conf. I
453879.9368 1.1254 -5.2799 3 362.6462375 89502 303621647 611547 a-Alanine, conf. I
453913.9598 2.9901 -5.0401 3 679.4028489 89502 303813349 803348 a-Alanine, conf. I
454011.0474 5.9249 -4.6884 3 470.2990411 89502 303682643 672542 a-Alanine, conf. I
454023.2217 3.0905 -5.0399 3 679.4065489 89502 303813348 803347 a-Alanine, conf. I
454036.5741 0.9627 -5.0578 3 719.9583531 89502 303881870 871869 a-Alanine, conf. I
454036.5741 0.9627 -4.5970 3 719.9583531 89502 303881870 871969 a-Alanine, conf. I
454036.5741 0.9627 -4.5970 3 719.9583531 89502 303881970 871869 a-Alanine, conf. I
454036.5741 0.9627 -5.0578 3 719.9583531 89502 303881970 871969 a-Alanine, conf. I
454110.4061 1.6187 -5.3515 3 790.8796501 89502 303834736 824735 a-Alanine, conf. I
454110.4061 1.6187 -5.3515 3 790.8796501 89502 303834737 824736 a-Alanine, conf. I
454115.5602 0.6745 -5.3680 3 329.1211369 89502 303611051 60 951 a-Alanine, conf. I
454115.5602 0.6745 -5.3680 3 329.1211369 89502 303611151 601051 a-Alanine, conf. I
454184.0224 0.9334 -5.0696 3 744.9196561 89502 303931182 921181 a-Alanine, conf. I
454184.0224 0.9334 -4.5140 3 744.9196561 89502 303931182 921281 a-Alanine, conf. I
454184.0224 0.9334 -4.5140 3 744.9196561 89502 303931282 921181 a-Alanine, conf. I
454184.0224 0.9334 -5.0696 3 744.9196561 89502 303931282 921281 a-Alanine, conf. I
454406.5417 0.5406 -5.6375 3 168.6241273 89502 30345 639 44 540 a-Alanine, conf. I
454406.5417 0.5406 -5.6375 3 168.6241273 89502 30345 739 44 440 a-Alanine, conf. I
454424.1867 0.2139 -5.1136 3 350.4849327 89502 303543519 533419 a-Alanine, conf. I
454424.1867 0.2139 -4.0473 3 350.4849327 89502 303543519 533420 a-Alanine, conf. I
454424.1867 0.2139 -4.0473 3 350.4849327 89502 303543520 533419 a-Alanine, conf. I
454424.1867 0.2139 -5.1136 3 350.4849327 89502 303543520 533420 a-Alanine, conf. I
454464.4465 0.5419 -5.4019 3 183.7814279 89502 30346 838 45 739 a-Alanine, conf. I
454464.4466 0.5419 -5.4019 3 183.7814279 89502 30346 938 45 639 a-Alanine, conf. I
454489.0628 0.2091 -5.0439 3 334.0026285 89502 3034743 4 4642 4 a-Alanine, conf. I
454489.0628 0.2091 -3.8932 3 334.0026285 89502 3034743 4 4642 5 a-Alanine, conf. I
454489.0628 0.2091 -3.8932 3 334.0026285 89502 3034743 5 4642 4 a-Alanine, conf. I
454489.0628 0.2091 -5.0439 3 334.0026285 89502 3034743 5 4642 5 a-Alanine, conf. I
454508.7187 0.9156 -4.9408 3 280.4581321 89502 303532034 521735 a-Alanine, conf. I
454517.7192 1.6868 -5.3275 3 783.8405501 89502 303834637 824636 a-Alanine, conf. I
454517.7192 1.6868 -5.3275 3 783.8405501 89502 303834638 824637 a-Alanine, conf. I
454592.6698 1.5189 -4.9536 3 645.2261483 89502 303802753 792752 a-Alanine, conf. I
454604.3324 0.3176 -4.3677 3 399.8838375 89502 303622736 612635 a-Alanine, conf. I
454616.0366 2.4189 -5.1255 3 713.6623495 89502 303823746 813745 a-Alanine, conf. I
454616.0922 2.4189 -5.1255 3 713.6623495 89502 303823745 813744 a-Alanine, conf. I
454638.4794 0.3197 -5.2097 3 399.8838375 89502 303622735 612635 a-Alanine, conf. I
454669.6810 1.0751 -4.4897 3 420.1419387 89502 303642639 632538 a-Alanine, conf. I
454686.0439 1.0859 -5.0688 3 756.2909579 89502 30396 789 95 788 a-Alanine, conf. I
454686.0439 1.0859 -4.4770 3 756.2909579 89502 30396 789 95 888 a-Alanine, conf. I
454686.0439 1.0859 -4.4770 3 756.2909579 89502 30396 889 95 788 a-Alanine, conf. I
454686.0439 1.0859 -5.0688 3 756.2909579 89502 30396 889 95 888 a-Alanine, conf. I
454717.5739 1.0475 -4.8055 3 671.8893495 89502 303822656 812755 a-Alanine, conf. I
454729.3937 0.3276 -5.2095 3 399.8796375 89502 303622736 612636 a-Alanine, conf. I
454740.2987 0.2930 -5.5796 3 194.9042267 89502 303441925 431628 a-Alanine, conf. I
454741.5102 1.0421 -4.9815 3 660.6202489 89502 303812854 802853 a-Alanine, conf. I
454763.5407 0.3324 -4.3675 3 399.8796375 89502 303622735 612636 a-Alanine, conf. I
454774.7919 0.9439 -5.0700 3 737.7688549 89502 303911477 901476 a-Alanine, conf. I
454774.7919 0.9439 -4.5485 3 737.7688549 89502 303911477 901576 a-Alanine, conf. I
454774.7919 0.9439 -4.5485 3 737.7688549 89502 303911577 901476 a-Alanine, conf. I
454774.7919 0.9439 -5.0700 3 737.7688549 89502 303911577 901576 a-Alanine, conf. I
454775.0400 0.9643 -4.6491 3 707.8219519 89502 303862165 852264 a-Alanine, conf. I
454775.0403 0.9643 -5.0470 3 707.8219519 89502 303862265 852264 a-Alanine, conf. I
454775.0407 0.9643 -5.0470 3 707.8219519 89502 303862165 852164 a-Alanine, conf. I
454775.0410 0.9643 -4.6491 3 707.8219519 89502 303862265 852164 a-Alanine, conf. I
454785.3760 1.6489 -5.2571 3 385.8289381 89502 303631845 621745 a-Alanine, conf. I
454797.7827 1.6435 -5.2571 3 385.8290381 89502 303631945 621845 a-Alanine, conf. I
454868.7271 1.5857 -5.0615 3 764.0088597 89502 30399 396 98 395 a-Alanine, conf. I
454868.7271 1.5857 -4.4413 3 764.0088597 89502 30399 396 98 495 a-Alanine, conf. I
454868.7271 1.5857 -4.4413 3 764.0088597 89502 30399 496 98 395 a-Alanine, conf. I
454868.7271 1.5857 -5.0615 3 764.0088597 89502 30399 496 98 495 a-Alanine, conf. I
454959.2692 1.7588 -5.3041 3 776.9786501 89502 303834538 824537 a-Alanine, conf. I
454959.2692 1.7588 -5.3041 3 776.9786501 89502 303834539 824538 a-Alanine, conf. I
454962.8324 0.2290 -5.1244 3 355.2281333 89502 303553421 543321 a-Alanine, conf. I
454962.8324 0.2290 -4.0744 3 355.2281333 89502 303553421 543322 a-Alanine, conf. I
454962.8324 0.2290 -4.0744 3 355.2281333 89502 303553422 543321 a-Alanine, conf. I
454962.8324 0.2290 -5.1244 3 355.2281333 89502 303553422 543322 a-Alanine, conf. I
455008.8053 2.0536 -4.9205 3 265.4006315 89502 303521835 511536 a-Alanine, conf. I
455093.3337 9.3716 -4.8365 3 554.4945447 89502 303742748 732647 a-Alanine, conf. I
455122.3899 0.9252 -4.9986 3 671.8893495 89502 303822756 812755 a-Alanine, conf. I
455202.2164 0.1868 -5.0523 3 336.0497291 89502 3034842 6 4741 6 a-Alanine, conf. I
455202.2164 0.1868 -3.9099 3 336.0497291 89502 3034842 6 4741 7 a-Alanine, conf. I
455202.2164 0.1868 -3.9099 3 336.0497291 89502 3034842 7 4741 6 a-Alanine, conf. I
455202.2164 0.1868 -5.0523 3 336.0497291 89502 3034842 7 4741 7 a-Alanine, conf. I
455326.0700 0.9676 -5.0661 3 728.5394537 89502 303891772 881771 a-Alanine, conf. I
455326.0700 0.9676 -4.5874 3 728.5394537 89502 303891772 881871 a-Alanine, conf. I
455326.0700 0.9676 -4.5874 3 728.5394537 89502 303891872 881771 a-Alanine, conf. I
455326.0700 0.9676 -5.0661 3 728.5394537 89502 303891872 881871 a-Alanine, conf. I
455375.0269 0.6638 -5.3972 3 324.1004369 89502 30361 952 60 852 a-Alanine, conf. I
455375.0269 0.6638 -5.3972 3 324.1004369 89502 303611052 60 952 a-Alanine, conf. I
455433.2099 0.9430 -4.7572 3 682.7647501 89502 303832558 822657 a-Alanine, conf. I
455439.1354 0.2448 -5.1354 3 360.3538339 89502 303563323 553223 a-Alanine, conf. I
455439.1354 0.2448 -4.1036 3 360.3538339 89502 303563323 553224 a-Alanine, conf. I
455439.1354 0.2448 -4.1036 3 360.3538339 89502 303563324 553223 a-Alanine, conf. I
455439.1354 0.2448 -5.1354 3 360.3538339 89502 303563324 553224 a-Alanine, conf. I
455439.3453 1.8350 -5.2814 3 770.2961501 89502 303834439 824438 a-Alanine, conf. I
455439.3453 1.8350 -5.2814 3 770.2961501 89502 303834440 824439 a-Alanine, conf. I
455444.0311 0.9548 -5.0746 3 751.8784567 89502 303941084 931083 a-Alanine, conf. I
455444.0311 0.9548 -4.5088 3 751.8784567 89502 303941084 931183 a-Alanine, conf. I
455444.0311 0.9548 -4.5088 3 751.8784567 89502 303941184 931083 a-Alanine, conf. I
455444.0311 0.9548 -5.0746 3 751.8784567 89502 303941184 931183 a-Alanine, conf. I
455454.5584 1.1945 -5.0560 3 225.8512297 89502 303491336 481237 a-Alanine, conf. I
455463.0575 0.9391 -5.0146 3 682.7647501 89502 303832658 822657 a-Alanine, conf. I
455463.1349 1.1927 -5.0560 3 225.8512297 89502 303491436 481137 a-Alanine, conf. I
455465.8272 0.9145 -4.9979 3 671.8644495 89502 303822656 812655 a-Alanine, conf. I
455491.8113 0.9366 -5.0146 3 682.7627501 89502 303832558 822557 a-Alanine, conf. I
455521.6590 0.9343 -4.7570 3 682.7627501 89502 303832658 822557 a-Alanine, conf. I
455682.1270 0.3221 -4.3049 3 392.1386369 89502 303612834 602733 a-Alanine, conf. I
455683.7634 0.3224 -5.1959 3 392.1386369 89502 303612833 602733 a-Alanine, conf. I
455686.1644 2.5687 -5.1067 3 708.5253495 89502 303823647 813646 a-Alanine, conf. I
455686.6845 2.5693 -5.1067 3 708.5254495 89502 303823646 813645 a-Alanine, conf. I
455688.8608 0.3232 -5.1959 3 392.1383369 89502 303612834 602734 a-Alanine, conf. I
455690.4971 0.3234 -4.3049 3 392.1383369 89502 303612833 602734 a-Alanine, conf. I
455712.1094 0.6506 -5.2366 3 420.1419387 89502 303642638 632538 a-Alanine, conf. I
455729.4115 1.0001 -5.2936 3 358.2917375 89502 303621448 611348 a-Alanine, conf. I
455729.4132 1.0001 -5.2936 3 358.2917375 89502 303621548 611448 a-Alanine, conf. I
455787.0884 3.1800 -5.0224 3 675.2182489 89502 303813250 803249 a-Alanine, conf. I
455832.0968 0.2615 -5.1468 3 365.8708345 89502 303573225 563125 a-Alanine, conf. I
455832.0968 0.2615 -4.1354 3 365.8708345 89502 303573225 563126 a-Alanine, conf. I
455832.0968 0.2615 -4.1354 3 365.8708345 89502 303573226 563125 a-Alanine, conf. I
455832.0968 0.2615 -5.1468 3 365.8708345 89502 303573226 563126 a-Alanine, conf. I
455868.5409 1.1850 -5.0723 3 762.3429585 89502 30397 691 96 690 a-Alanine, conf. I
455868.5409 1.1850 -4.4726 3 762.3429585 89502 30397 691 96 790 a-Alanine, conf. I
455868.5409 1.1850 -4.4726 3 762.3429585 89502 30397 791 96 690 a-Alanine, conf. I
455868.5409 1.1850 -5.0723 3 762.3429585 89502 30397 791 96 790 a-Alanine, conf. I
455870.6432 1.0083 -4.8031 3 671.8644495 89502 303822756 812655 a-Alanine, conf. I
455906.8842 0.1749 -5.0610 3 338.4473297 89502 3034941 8 4840 8 a-Alanine, conf. I
455906.8842 0.1749 -3.9277 3 338.4473297 89502 3034941 8 4840 9 a-Alanine, conf. I
455906.8842 0.1749 -3.9277 3 338.4473297 89502 3034941 9 4840 8 a-Alanine, conf. I
455906.8842 0.1749 -5.0610 3 338.4473297 89502 3034941 9 4840 9 a-Alanine, conf. I
455952.5992 1.7845 -5.0633 3 769.1410603 89502 303A0 298 99 297 a-Alanine, conf. I
455952.5992 1.7845 -4.4370 3 769.1410603 89502 303A0 298 99 397 a-Alanine, conf. I
455952.5992 1.7845 -4.4370 3 769.1410603 89502 303A0 398 99 297 a-Alanine, conf. I
455952.5992 1.7845 -5.0633 3 769.1410603 89502 303A0 398 99 397 a-Alanine, conf. I
455963.0744 1.9160 -5.2593 3 763.7956501 89502 303834340 824339 a-Alanine, conf. I
455963.0744 1.9160 -5.2593 3 763.7956501 89502 303834341 824340 a-Alanine, conf. I
455973.0395 0.9752 -5.0572 3 717.1578525 89502 303872067 862066 a-Alanine, conf. I
455973.0395 0.9752 -4.6345 3 717.1578525 89502 303872067 862166 a-Alanine, conf. I
455973.0395 0.9752 -4.6345 3 717.1578525 89502 303872167 862066 a-Alanine, conf. I
455973.0395 0.9752 -5.0572 3 717.1578525 89502 303872167 862166 a-Alanine, conf. I
456035.1981 1.7645 -5.2500 3 426.1763393 89502 303652442 642342 a-Alanine, conf. I
456070.1505 0.9452 -5.0764 3 745.4191555 89502 303921379 911378 a-Alanine, conf. I
456070.1505 0.9452 -4.5422 3 745.4191555 89502 303921379 911478 a-Alanine, conf. I
456070.1505 0.9452 -4.5422 3 745.4191555 89502 303921479 911378 a-Alanine, conf. I
456070.1505 0.9452 -5.0764 3 745.4191555 89502 303921479 911478 a-Alanine, conf. I
456111.8341 0.2789 -5.1585 3 371.7904351 89502 303583127 573027 a-Alanine, conf. I
456111.8341 0.2789 -4.1704 3 371.7904351 89502 303583128 573027 a-Alanine, conf. I
456111.8343 0.2789 -4.1704 3 371.7904351 89502 303583127 573028 a-Alanine, conf. I
456111.8343 0.2789 -5.1585 3 371.7904351 89502 303583128 573028 a-Alanine, conf. I
456119.6444 0.9558 -4.7237 3 693.2745507 89502 303842460 832559 a-Alanine, conf. I
456121.4048 0.9556 -5.0290 3 693.2745507 89502 303842560 832559 a-Alanine, conf. I
456123.2681 0.9555 -5.0290 3 693.2743507 89502 303842460 832459 a-Alanine, conf. I
456125.0284 0.9553 -4.7237 3 693.2743507 89502 303842560 832459 a-Alanine, conf. I
456130.5171 0.3120 -4.2535 3 384.9008363 89502 303602932 592831 a-Alanine, conf. I
456130.5773 0.3120 -5.1830 3 384.9008363 89502 303602931 592831 a-Alanine, conf. I
456130.7907 0.3121 -5.1830 3 384.9008363 89502 303602932 592832 a-Alanine, conf. I
456130.8509 0.3121 -4.2535 3 384.9008363 89502 303602931 592832 a-Alanine, conf. I
456145.3019 1.8166 -5.2814 3 468.2668411 89502 303682543 672443 a-Alanine, conf. I
456175.8549 4.9101 -4.9054 3 300.4630333 89502 303551936 541837 a-Alanine, conf. I
456222.8902 2.2536 -5.2535 3 404.6216387 89502 303642044 631944 a-Alanine, conf. I
456234.2187 0.2963 -4.2093 3 378.1272357 89502 303593030 582929 a-Alanine, conf. I
456234.2204 0.2963 -5.1705 3 378.1272357 89502 303593029 582929 a-Alanine, conf. I
456234.2272 0.2963 -5.1705 3 378.1272357 89502 303593030 582930 a-Alanine, conf. I
456234.2290 0.2963 -4.2093 3 378.1272357 89502 303593029 582930 a-Alanine, conf. I
456418.5694 3.7012 -5.0212 3 675.2422489 89502 303813249 803248 a-Alanine, conf. I
456536.6624 2.0024 -5.2378 3 757.4801501 89502 303834241 824240 a-Alanine, conf. I
456536.6624 2.0024 -5.2378 3 757.4801501 89502 303834242 824241 a-Alanine, conf. I
456557.7719 0.6829 -5.4318 3 318.9360369 89502 30361 853 60 753 a-Alanine, conf. I
456557.7719 0.6829 -5.4318 3 318.9360369 89502 30361 953 60 853 a-Alanine, conf. I
456572.7765 2.1104 -5.2529 3 404.6260387 89502 303642144 632044 a-Alanine, conf. I
456600.6041 0.1722 -5.0700 3 341.1977303 89502 303504010 493910 a-Alanine, conf. I
456600.6041 0.1722 -3.9464 3 341.1977303 89502 303504010 493911 a-Alanine, conf. I
456600.6041 0.1722 -3.9464 3 341.1977303 89502 303504011 493910 a-Alanine, conf. I
456600.6041 0.1722 -5.0700 3 341.1977303 89502 303504011 493911 a-Alanine, conf. I
456625.6501 0.9701 -5.0739 3 736.8942543 89502 303901674 891673 a-Alanine, conf. I
456625.6501 0.9701 -4.5790 3 736.8942543 89502 303901674 891773 a-Alanine, conf. I
456625.6501 0.9701 -4.5790 3 736.8942543 89502 303901774 891673 a-Alanine, conf. I
456625.6501 0.9701 -5.0739 3 736.8942543 89502 303901774 891773 a-Alanine, conf. I
456685.7647 0.9911 -5.0792 3 758.6214573 89502 30395 986 94 985 a-Alanine, conf. I
456685.7647 0.9911 -4.5039 3 758.6214573 89502 30395 986 941085 a-Alanine, conf. I
456685.7647 0.9911 -4.5039 3 758.6214573 89502 303951086 94 985 a-Alanine, conf. I
456685.7647 0.9911 -5.0792 3 758.6214573 89502 303951086 941085 a-Alanine, conf. I
456711.8453 2.4467 -4.8801 3 675.7888495 89502 303822755 812854 a-Alanine, conf. I
456786.8070 4.3934 -4.6337 3 457.3665405 89502 303672642 662541 a-Alanine, conf. I
456864.3103 1.8341 -4.5319 3 432.2936393 89502 303652640 642539 a-Alanine, conf. I
456927.9300 2.7466 -5.0884 3 703.6159495 89502 303823548 813547 a-Alanine, conf. I
456932.2894 2.7513 -5.0884 3 703.6161495 89502 303823547 813546 a-Alanine, conf. I
457007.2420 2.0083 -5.0649 3 774.0488609 89502 303A1 1A0 A0 199 a-Alanine, conf. I
457007.2420 2.0083 -4.4327 3 774.0488609 89502 303A1 1A0 A0 299 a-Alanine, conf. I
457007.2420 2.0083 -4.4327 3 774.0488609 89502 303A1 2A0 A0 199 a-Alanine, conf. I
457007.2420 2.0083 -5.0649 3 774.0488609 89502 303A1 2A0 A0 299 a-Alanine, conf. I
457017.1066 0.9695 -4.6984 3 703.4630513 89502 303852362 842461 a-Alanine, conf. I
457017.1923 0.9695 -5.0419 3 703.4630513 89502 303852462 842461 a-Alanine, conf. I
457017.2903 0.9695 -5.0419 3 703.4630513 89502 303852362 842361 a-Alanine, conf. I
457017.3760 0.9695 -4.6984 3 703.4630513 89502 303852462 842361 a-Alanine, conf. I
457018.4279 1.2351 -5.6077 3 877.0082507 89502 303845628 835627 a-Alanine, conf. I
457018.4279 1.2351 -5.6077 3 877.0082507 89502 303845629 835628 a-Alanine, conf. I
457026.1893 1.3101 -5.0753 3 768.1764591 89502 30398 593 97 592 a-Alanine, conf. I
457026.1893 1.3101 -4.4683 3 768.1764591 89502 30398 593 97 692 a-Alanine, conf. I
457026.1893 1.3101 -4.4683 3 768.1764591 89502 30398 693 97 592 a-Alanine, conf. I
457026.1893 1.3101 -5.0753 3 768.1764591 89502 30398 693 97 692 a-Alanine, conf. I
457063.4642 5.1065 -4.6657 3 402.2312381 89502 303632439 622340 a-Alanine, conf. I
457167.7326 2.0954 -5.2168 3 751.3531501 89502 303834142 824141 a-Alanine, conf. I
457167.7326 2.0954 -5.2168 3 751.3531501 89502 303834143 824142 a-Alanine, conf. I
457217.2327 0.9844 -5.0667 3 726.2489531 89502 303881969 871968 a-Alanine, conf. I
457217.2327 0.9844 -4.6223 3 726.2489531 89502 303881969 872068 a-Alanine, conf. I
457217.2327 0.9844 -4.6223 3 726.2489531 89502 303882069 871968 a-Alanine, conf. I
457217.2327 0.9844 -5.0667 3 726.2489531 89502 303882069 872068 a-Alanine, conf. I
457241.8880 1.2727 -5.5773 3 868.4473507 89502 303845529 835528 a-Alanine, conf. I
457241.8880 1.2727 -5.5773 3 868.4473507 89502 303845530 835529 a-Alanine, conf. I
457280.2058 0.1767 -5.0794 3 344.3034309 89502 303513912 503812 a-Alanine, conf. I
457280.2058 0.1767 -3.9664 3 344.3034309 89502 303513912 503813 a-Alanine, conf. I
457280.2058 0.1767 -3.9664 3 344.3034309 89502 303513913 503812 a-Alanine, conf. I
457280.2058 0.1767 -5.0794 3 344.3034309 89502 303513913 503813 a-Alanine, conf. I
457347.8559 1.4566 -5.2655 3 381.9015381 89502 303631746 621646 a-Alanine, conf. I
457349.1880 1.4560 -5.2655 3 381.9015381 89502 303631846 621746 a-Alanine, conf. I
457354.9955 0.9503 -5.0823 3 752.8525561 89502 303931281 921280 a-Alanine, conf. I
457354.9955 0.9503 -4.5364 3 752.8525561 89502 303931281 921380 a-Alanine, conf. I
457354.9955 0.9503 -4.5364 3 752.8525561 89502 303931381 921280 a-Alanine, conf. I
457354.9955 0.9503 -5.0823 3 752.8525561 89502 303931381 921380 a-Alanine, conf. I
457415.2648 0.8927 -5.3096 3 353.7737375 89502 303621349 611249 a-Alanine, conf. I
457415.2649 0.8927 -5.3096 3 353.7737375 89502 303621449 611349 a-Alanine, conf. I
457418.9997 12.4050 -5.1165 3 714.1157507 89502 303842955 833054 a-Alanine, conf. I
457453.9761 7.2286 -4.8150 3 362.1207363 89502 303602238 592139 a-Alanine, conf. I
457480.4911 1.3148 -5.5478 3 860.0526507 89502 303845430 835429 a-Alanine, conf. I
457480.4911 1.3148 -5.5478 3 860.0526507 89502 303845431 835430 a-Alanine, conf. I
457546.6555 1.3436 -4.9749 3 660.3897489 89502 303812754 802753 a-Alanine, conf. I
457558.6400 2.0769 -5.5396 3 214.4734279 89502 303462027 451728 a-Alanine, conf. I
457597.3546 5.0499 -4.9292 3 634.9411477 89502 303792950 782949 a-Alanine, conf. I
457606.4358 1.6187 -4.9843 3 664.1799489 89502 303812953 802952 a-Alanine, conf. I
457617.6536 3.1129 -5.0058 3 671.3220489 89502 303813151 803150 a-Alanine, conf. I
457673.0235 0.7286 -5.4730 3 313.6300369 89502 30361 754 60 654 a-Alanine, conf. I
457673.0235 0.7286 -5.4730 3 313.6300369 89502 30361 854 60 754 a-Alanine, conf. I
457681.7898 2.0288 -4.9086 3 277.8244321 89502 303531935 521636 a-Alanine, conf. I
457692.2547 2.9576 -4.5802 3 444.6984399 89502 303662641 652540 a-Alanine, conf. I
457698.3061 0.9627 -5.2466 3 429.1109393 89502 303652541 642441 a-Alanine, conf. I
457700.6525 2.2972 -5.2536 3 423.1272393 89502 303652343 642243 a-Alanine, conf. I
457735.5326 1.3610 -5.5191 3 851.8249507 89502 303845331 835330 a-Alanine, conf. I
457735.5326 1.3610 -5.5191 3 851.8249507 89502 303845332 835331 a-Alanine, conf. I
457790.9123 0.3862 -5.2330 3 420.0377387 89502 303642639 632539 a-Alanine, conf. I
457865.8143 2.1963 -5.1964 3 745.4186501 89502 303834044 824043 a-Alanine, conf. I
457865.8144 2.1963 -5.1964 3 745.4186501 89502 303834043 824042 a-Alanine, conf. I
457907.1526 1.0465 -5.0835 3 765.1480579 89502 30396 888 95 887 a-Alanine, conf. I
457907.1526 1.0465 -4.4994 3 765.1480579 89502 30396 888 95 987 a-Alanine, conf. I
457907.1526 1.0465 -4.4994 3 765.1480579 89502 30396 988 95 887 a-Alanine, conf. I
457907.1526 1.0465 -5.0835 3 765.1480579 89502 30396 988 95 987 a-Alanine, conf. I
457927.9979 0.9709 -5.0813 3 745.0264549 89502 303911576 901575 a-Alanine, conf. I
457927.9979 0.9709 -4.5715 3 745.0264549 89502 303911576 901675 a-Alanine, conf. I
457927.9979 0.9709 -4.5715 3 745.0264549 89502 303911676 901575 a-Alanine, conf. I
457927.9979 0.9709 -5.0813 3 745.0264549 89502 303911676 901675 a-Alanine, conf. I
457941.5943 0.1861 -5.0891 3 347.7677315 89502 303523814 513714 a-Alanine, conf. I
457941.5943 0.1861 -3.9875 3 347.7677315 89502 303523814 513715 a-Alanine, conf. I
457941.5943 0.1861 -3.9875 3 347.7677315 89502 303523815 513714 a-Alanine, conf. I
457941.5943 0.1861 -5.0891 3 347.7677315 89502 303523815 513715 a-Alanine, conf. I
457943.3630 2.7285 -4.5784 3 417.0182387 89502 303642539 632440 a-Alanine, conf. I
458008.4687 1.4112 -5.4911 3 843.7653507 89502 303845232 835231 a-Alanine, conf. I
458008.4687 1.4112 -5.4911 3 843.7653507 89502 303845233 835232 a-Alanine, conf. I
458031.6856 2.2565 -5.0660 3 778.7302615 89502 303A2 0A2 A1 0A1 a-Alanine, conf. I
458031.6856 2.2565 -4.4283 3 778.7302615 89502 303A2 0A2 A1 1A1 a-Alanine, conf. I
458031.6856 2.2565 -4.4283 3 778.7302615 89502 303A2 1A2 A1 0A1 a-Alanine, conf. I
458031.6856 2.2565 -5.0660 3 778.7302615 89502 303A2 1A2 A1 1A1 a-Alanine, conf. I
458064.1308 0.9822 -4.6783 3 713.3616519 89502 303862264 852363 a-Alanine, conf. I
458064.1343 0.9822 -5.0538 3 713.3616519 89502 303862364 852363 a-Alanine, conf. I
458064.1386 0.9822 -5.0538 3 713.3616519 89502 303862264 852263 a-Alanine, conf. I
458064.1421 0.9822 -4.6783 3 713.3616519 89502 303862364 852263 a-Alanine, conf. I
458157.6622 1.4616 -5.0781 3 773.7898597 89502 30399 495 98 494 a-Alanine, conf. I
458157.6622 1.4616 -4.4641 3 773.7898597 89502 30399 495 98 594 a-Alanine, conf. I
458157.6622 1.4616 -4.4641 3 773.7898597 89502 30399 595 98 494 a-Alanine, conf. I
458157.6622 1.4616 -5.0781 3 773.7898597 89502 30399 595 98 594 a-Alanine, conf. I
458242.0711 0.8562 -5.1675 3 210.5659291 89502 303481137 471038 a-Alanine, conf. I
458242.2037 0.8562 -5.1675 3 210.5659291 89502 303481237 47 938 a-Alanine, conf. I
458300.9432 1.4651 -5.4640 3 835.8746507 89502 303845133 835132 a-Alanine, conf. I
458300.9432 1.4651 -5.4640 3 835.8746507 89502 303845134 835133 a-Alanine, conf. I
458392.2420 2.9603 -5.0703 3 698.9489495 89502 303823449 813448 a-Alanine, conf. I
458424.5757 2.9927 -5.0703 3 698.9500495 89502 303823448 813447 a-Alanine, conf. I
458454.4249 0.2705 -5.0333 3 339.1051279 89502 3034645 1 4544 1 a-Alanine, conf. I
458454.4249 0.2705 -3.8711 3 339.1051279 89502 3034645 1 4544 2 a-Alanine, conf. I
458454.4249 0.2705 -3.8711 3 339.1051279 89502 3034645 2 4544 1 a-Alanine, conf. I
458454.4249 0.2705 -5.0333 3 339.1051279 89502 3034645 2 4544 2 a-Alanine, conf. I
458490.8320 0.9914 -5.0757 3 735.1034537 89502 303891871 881870 a-Alanine, conf. I
458490.8320 0.9914 -4.6118 3 735.1034537 89502 303891871 881970 a-Alanine, conf. I
458490.8320 0.9914 -4.6118 3 735.1034537 89502 303891971 881870 a-Alanine, conf. I
458490.8320 0.9914 -5.0757 3 735.1034537 89502 303891971 881970 a-Alanine, conf. I
458553.4902 2.5230 -4.9922 3 667.6833489 89502 303813052 803051 a-Alanine, conf. I
458579.4544 0.1984 -5.0991 3 351.5939321 89502 303533716 523616 a-Alanine, conf. I
458579.4544 0.1984 -4.0101 3 351.5939321 89502 303533716 523617 a-Alanine, conf. I
458579.4544 0.1984 -4.0101 3 351.5939321 89502 303533717 523616 a-Alanine, conf. I
458579.4544 0.1984 -5.0991 3 351.5939321 89502 303533717 523617 a-Alanine, conf. I
458614.8218 1.5225 -5.4376 3 828.1541507 89502 303845034 835033 a-Alanine, conf. I
458614.8218 1.5225 -5.4376 3 828.1541507 89502 303845035 835034 a-Alanine, conf. I
458626.0994 0.9624 -5.0879 3 760.0695567 89502 303941183 931182 a-Alanine, conf. I
458626.0994 0.9624 -4.5312 3 760.0695567 89502 303941183 931282 a-Alanine, conf. I
458626.0994 0.9624 -4.5312 3 760.0695567 89502 303941283 931182 a-Alanine, conf. I
458626.0994 0.9624 -5.0879 3 760.0695567 89502 303941283 931282 a-Alanine, conf. I
458643.0713 2.3072 -5.1765 3 739.6818501 89502 303833945 823944 a-Alanine, conf. I
458643.0725 2.3072 -5.1765 3 739.6818501 89502 303833944 823943 a-Alanine, conf. I
458728.4454 0.7961 -5.5231 3 308.1847369 89502 30361 655 60 555 a-Alanine, conf. I
458728.4454 0.7961 -5.5231 3 308.1847369 89502 30361 755 60 655 a-Alanine, conf. I
458752.7094 1.4744 -4.9178 3 632.5956477 89502 303792851 782850 a-Alanine, conf. I
458833.3408 0.7328 -4.4837 3 420.0377387 89502 303642638 632539 a-Alanine, conf. I
458852.4445 0.9861 -5.2486 3 432.2936393 89502 303652639 642539 a-Alanine, conf. I
458903.9862 1.4227 -5.0141 3 237.8279303 89502 303501436 491337 a-Alanine, conf. I
458942.9933 1.4142 -5.0140 3 237.8279303 89502 303501536 491237 a-Alanine, conf. I
458952.2328 1.5834 -5.4119 3 820.6051507 89502 303844935 834934 a-Alanine, conf. I
458952.2328 1.5834 -5.4119 3 820.6051507 89502 303844936 834935 a-Alanine, conf. I
458965.6752 0.8052 -5.3280 3 349.0979375 89502 303621250 611150 a-Alanine, conf. I
458965.6752 0.8052 -5.3280 3 349.0979375 89502 303621350 611250 a-Alanine, conf. I
459009.2016 5.7936 -4.9650 3 652.9255483 89502 303803050 793049 a-Alanine, conf. I
459022.9856 31.3378 -5.6040 3 861.1655555 89502 303923359 913458 a-Alanine, conf. I
459082.7892 0.9999 -4.9995 3 675.7888495 89502 303822855 812854 a-Alanine, conf. I
459106.3808 1.1243 -5.0875 3 771.4576585 89502 30397 790 96 789 a-Alanine, conf. I
459106.3808 1.1243 -4.4951 3 771.4576585 89502 30397 790 96 889 a-Alanine, conf. I
459106.3808 1.1243 -4.4951 3 771.4576585 89502 30397 890 96 789 a-Alanine, conf. I
459106.3808 1.1243 -5.0875 3 771.4576585 89502 30397 890 96 889 a-Alanine, conf. I
459127.9187 1.0025 -4.8065 3 687.0706501 89502 303832657 822756 a-Alanine, conf. I
459160.4858 0.3319 -4.3942 3 411.4907381 89502 303632737 622636 a-Alanine, conf. I
459176.4271 0.2324 -5.0412 3 340.6419285 89502 3034744 3 4643 3 a-Alanine, conf. I
459176.4271 0.2324 -3.8863 3 340.6419285 89502 3034744 3 4643 4 a-Alanine, conf. I
459176.4271 0.2324 -3.8863 3 340.6419285 89502 3034744 4 4643 3 a-Alanine, conf. I
459176.4271 0.2324 -5.0412 3 340.6419285 89502 3034744 4 4643 4 a-Alanine, conf. I
459186.8362 0.2123 -5.1095 3 355.7865327 89502 303543618 533518 a-Alanine, conf. I
459186.8362 0.2123 -4.0341 3 355.7865327 89502 303543618 533519 a-Alanine, conf. I
459186.8362 0.2123 -4.0341 3 355.7865327 89502 303543619 533518 a-Alanine, conf. I
459186.8362 0.2123 -5.1095 3 355.7865327 89502 303543619 533519 a-Alanine, conf. I
459208.6365 0.9942 -4.6619 3 722.9915525 89502 303872166 862265 a-Alanine, conf. I
459208.6367 0.9942 -5.0649 3 722.9915525 89502 303872266 862265 a-Alanine, conf. I
459208.6368 0.9942 -5.0649 3 722.9915525 89502 303872166 862165 a-Alanine, conf. I
459208.6369 0.9942 -4.6619 3 722.9915525 89502 303872266 862165 a-Alanine, conf. I
459227.3898 0.9712 -5.0882 3 752.9384555 89502 303921478 911477 a-Alanine, conf. I
459227.3898 0.9712 -4.5649 3 752.9384555 89502 303921478 911577 a-Alanine, conf. I
459227.3898 0.9712 -4.5649 3 752.9384555 89502 303921578 911477 a-Alanine, conf. I
459227.3898 0.9712 -5.0882 3 752.9384555 89502 303921578 911577 a-Alanine, conf. I
459234.4454 0.3301 -5.2189 3 411.4907381 89502 303632736 622636 a-Alanine, conf. I
459261.7501 1.6393 -5.0804 3 779.1815603 89502 303A0 397 99 396 a-Alanine, conf. I
459261.7501 1.6393 -4.4600 3 779.1815603 89502 303A0 397 99 496 a-Alanine, conf. I
459261.7501 1.6393 -4.4600 3 779.1815603 89502 303A0 497 99 396 a-Alanine, conf. I
459261.7501 1.6393 -5.0804 3 779.1815603 89502 303A0 497 99 496 a-Alanine, conf. I
459315.6195 1.6479 -5.3869 3 813.2288507 89502 303844836 834835 a-Alanine, conf. I
459315.6195 1.6479 -5.3869 3 813.2288507 89502 303844837 834836 a-Alanine, conf. I
459343.5288 0.9527 -5.0169 3 687.0706501 89502 303832757 822756 a-Alanine, conf. I
459421.4872 0.3401 -5.2185 3 411.4820381 89502 303632737 622637 a-Alanine, conf. I
459495.4469 0.3508 -4.3937 3 411.4820381 89502 303632736 622637 a-Alanine, conf. I
459515.4323 2.4309 -5.1571 3 734.1486501 89502 303833846 823845 a-Alanine, conf. I
459515.4450 2.4309 -5.1571 3 734.1486501 89502 303833845 823844 a-Alanine, conf. I
459532.7346 0.9420 -5.0165 3 687.0571501 89502 303832657 822656 a-Alanine, conf. I
459564.6771 1.6247 -5.6254 3 200.9208273 89502 303451827 441530 a-Alanine, conf. I
459575.4366 0.6225 -5.3139 3 195.2361285 89502 30347 938 46 839 a-Alanine, conf. I
459575.4379 0.6225 -5.3139 3 195.2361285 89502 303471038 46 739 a-Alanine, conf. I
459592.2752 1.2927 -5.2754 3 377.7860381 89502 303631647 621547 a-Alanine, conf. I
459592.3990 1.2927 -5.2754 3 377.7860381 89502 303631747 621647 a-Alanine, conf. I
459707.8058 1.7159 -5.3625 3 806.0271507 89502 303844737 834736 a-Alanine, conf. I
459707.8058 1.7159 -5.3625 3 806.0271507 89502 303844738 834737 a-Alanine, conf. I
459730.4818 0.8800 -5.5852 3 302.6015369 89502 30361 556 60 456 a-Alanine, conf. I
459730.4818 0.8800 -5.5852 3 302.6015369 89502 30361 656 60 556 a-Alanine, conf. I
459740.1457 0.9719 -4.7635 3 697.9573507 89502 303842559 832658 a-Alanine, conf. I
459748.3448 0.9628 -4.8052 3 687.0571501 89502 303832757 822656 a-Alanine, conf. I
459754.5624 0.2273 -5.1201 3 360.3506333 89502 303553520 543420 a-Alanine, conf. I
459754.5624 0.2273 -4.0599 3 360.3506333 89502 303553520 543421 a-Alanine, conf. I
459754.5624 0.2273 -4.0599 3 360.3506333 89502 303553521 543420 a-Alanine, conf. I
459754.5624 0.2273 -5.1201 3 360.3506333 89502 303553521 543421 a-Alanine, conf. I
459755.1795 0.9701 -5.0328 3 697.9573507 89502 303842659 832658 a-Alanine, conf. I
459769.9934 0.9687 -5.0328 3 697.9563507 89502 303842559 832558 a-Alanine, conf. I
459781.7548 0.9959 -5.0842 3 743.7274543 89502 303901773 891772 a-Alanine, conf. I
459781.7548 0.9959 -4.6028 3 743.7274543 89502 303901773 891872 a-Alanine, conf. I
459781.7548 0.9959 -4.6028 3 743.7274543 89502 303901873 891772 a-Alanine, conf. I
459781.7548 0.9959 -5.0842 3 743.7274543 89502 303901873 891872 a-Alanine, conf. I
459785.0272 0.9673 -4.7634 3 697.9563507 89502 303842659 832558 a-Alanine, conf. I
459803.9681 1.9039 -5.2583 3 400.9989387 89502 303641945 631845 a-Alanine, conf. I
459853.6976 1.8822 -5.2582 3 400.9995387 89502 303642045 631945 a-Alanine, conf. I
459880.7434 0.9856 -5.0931 3 767.0704573 89502 303951085 941084 a-Alanine, conf. I
459880.7434 0.9856 -4.5263 3 767.0704573 89502 303951085 941184 a-Alanine, conf. I
459880.7434 0.9856 -4.5263 3 767.0704573 89502 303951185 941084 a-Alanine, conf. I
459880.7434 0.9856 -5.0931 3 767.0704573 89502 303951185 941184 a-Alanine, conf. I
459892.6585 0.2042 -5.0494 3 342.5264291 89502 3034843 5 4742 5 a-Alanine, conf. I
459892.6585 0.2042 -3.9025 3 342.5264291 89502 3034843 5 4742 6 a-Alanine, conf. I
459892.6585 0.2042 -3.9025 3 342.5264291 89502 3034843 6 4742 5 a-Alanine, conf. I
459892.6585 0.2042 -5.0494 3 342.5264291 89502 3034843 6 4742 6 a-Alanine, conf. I
459899.7407 0.5376 -5.5117 3 179.8955279 89502 30346 739 45 640 a-Alanine, conf. I
459899.7407 0.5376 -5.5117 3 179.8955279 89502 30346 839 45 540 a-Alanine, conf. I
459968.9095 2.7965 -5.2591 3 419.8396393 89502 303652144 642044 a-Alanine, conf. I
460125.1025 3.1944 -5.0525 3 694.5438495 89502 303823350 813349 a-Alanine, conf. I
460132.0807 1.7877 -5.3388 3 799.0016507 89502 303844638 834637 a-Alanine, conf. I
460132.0807 1.7877 -5.3388 3 799.0016507 89502 303844639 834638 a-Alanine, conf. I
460222.0170 5.8892 -4.9774 3 694.8685501 89502 303832855 822954 a-Alanine, conf. I
460270.3546 0.2430 -5.1311 3 365.2925339 89502 303563422 553322 a-Alanine, conf. I
460270.3546 0.2430 -4.0876 3 365.2925339 89502 303563422 553323 a-Alanine, conf. I
460270.3546 0.2430 -4.0876 3 365.2925339 89502 303563423 553322 a-Alanine, conf. I
460270.3546 0.2430 -5.1311 3 365.2925339 89502 303563423 553323 a-Alanine, conf. I
460277.0822 0.3950 -5.5537 3 203.1716273 89502 303451926 441629 a-Alanine, conf. I
460281.8407 1.2272 -5.0911 3 777.5491591 89502 30398 692 97 691 a-Alanine, conf. I
460281.8407 1.2272 -4.4909 3 777.5491591 89502 30398 692 97 791 a-Alanine, conf. I
460281.8407 1.2272 -4.4909 3 777.5491591 89502 30398 792 97 691 a-Alanine, conf. I
460281.8407 1.2272 -5.0911 3 777.5491591 89502 30398 792 97 791 a-Alanine, conf. I
460333.1588 3.3858 -5.0521 3 694.5511495 89502 303823349 813348 a-Alanine, conf. I
460337.3411 1.8428 -5.0825 3 784.3499609 89502 303A1 299 A0 298 a-Alanine, conf. I
460337.3411 1.8428 -4.4559 3 784.3499609 89502 303A1 299 A0 398 a-Alanine, conf. I
460337.3411 1.8428 -4.4559 3 784.3499609 89502 303A1 399 A0 298 a-Alanine, conf. I
460337.3411 1.8428 -5.0825 3 784.3499609 89502 303A1 399 A0 398 a-Alanine, conf. I
460401.8816 0.7412 -5.3494 3 344.2687375 89502 303621151 611051 a-Alanine, conf. I
460401.8816 0.7412 -5.3494 3 344.2687375 89502 303621251 611151 a-Alanine, conf. I
460417.2086 1.0049 -4.6484 3 732.3674531 89502 303882068 872167 a-Alanine, conf. I
460417.2087 1.0049 -5.0752 3 732.3674531 89502 303882068 872067 a-Alanine, conf. I
460417.2087 1.0049 -4.6484 3 732.3674531 89502 303882168 872067 a-Alanine, conf. I
460417.2087 1.0049 -5.0752 3 732.3674531 89502 303882168 872167 a-Alanine, conf. I
460476.2862 0.9862 -4.7329 3 708.4890513 89502 303852461 842560 a-Alanine, conf. I
460477.1339 0.9861 -5.0471 3 708.4890513 89502 303852561 842560 a-Alanine, conf. I
460478.0465 0.9861 -5.0471 3 708.4890513 89502 303852461 842460 a-Alanine, conf. I
460478.8943 0.9860 -4.7329 3 708.4890513 89502 303852561 842460 a-Alanine, conf. I
460501.2349 5.0730 -5.0000 3 671.4537489 89502 303813150 803149 a-Alanine, conf. I
460504.4089 2.5717 -5.1381 3 728.8266501 89502 303833747 823746 a-Alanine, conf. I
460504.5350 2.5719 -5.1381 3 728.8266501 89502 303833746 823745 a-Alanine, conf. I
460519.2446 0.9729 -5.0948 3 760.6320561 89502 303931380 921379 a-Alanine, conf. I
460519.2446 0.9729 -4.5590 3 760.6320561 89502 303931380 921479 a-Alanine, conf. I
460519.2446 0.9729 -4.5590 3 760.6320561 89502 303931480 921379 a-Alanine, conf. I
460519.2446 0.9729 -5.0948 3 760.6320561 89502 303931480 921479 a-Alanine, conf. I
460561.7825 0.3340 -4.3270 3 403.4926375 89502 303622835 612734 a-Alanine, conf. I
460565.6347 0.3346 -5.2045 3 403.4926375 89502 303622834 612734 a-Alanine, conf. I
460577.1438 0.3362 -5.2045 3 403.4921375 89502 303622835 612735 a-Alanine, conf. I
460580.9960 0.3369 -4.3269 3 403.4921375 89502 303622834 612735 a-Alanine, conf. I
460592.3082 1.8636 -5.3158 3 792.1544507 89502 303844539 834538 a-Alanine, conf. I
460592.3082 1.8636 -5.3158 3 792.1544507 89502 303844540 834539 a-Alanine, conf. I
460601.4792 0.1864 -5.0579 3 344.7603297 89502 3034942 7 4841 7 a-Alanine, conf. I
460601.4792 0.1864 -3.9196 3 344.7603297 89502 3034942 7 4841 8 a-Alanine, conf. I
460601.4792 0.1864 -3.9196 3 344.7603297 89502 3034942 8 4841 7 a-Alanine, conf. I
460601.4792 0.1864 -5.0579 3 344.7603297 89502 3034942 8 4841 8 a-Alanine, conf. I
460717.5019 0.2595 -5.1424 3 370.6198345 89502 303573324 563224 a-Alanine, conf. I
460717.5019 0.2595 -4.1177 3 370.6198345 89502 303573324 563225 a-Alanine, conf. I
460717.5019 0.2595 -4.1177 3 370.6198345 89502 303573325 563224 a-Alanine, conf. I
460717.5019 0.2595 -5.1424 3 370.6198345 89502 303573325 563225 a-Alanine, conf. I
460818.3849 1.1559 -4.9956 3 675.6518495 89502 303822755 812754 a-Alanine, conf. I
460898.9430 9.4188 -4.8180 3 540.3298441 89502 303732747 722646 a-Alanine, conf. I
460950.9503 1.7254 -5.6033 3 205.7618273 89502 303452026 441727 a-Alanine, conf. I
461072.7448 0.2768 -4.1504 3 376.3421351 89502 303583227 573126 a-Alanine, conf. I
461072.7449 0.2768 -5.1540 3 376.3421351 89502 303583226 573126 a-Alanine, conf. I
461072.7449 0.2768 -4.1504 3 376.3421351 89502 303583226 573127 a-Alanine, conf. I
461072.7449 0.2768 -5.1540 3 376.3421351 89502 303583227 573127 a-Alanine, conf. I
461080.9944 0.9982 -5.0922 3 752.1256549 89502 303911675 901674 a-Alanine, conf. I
461080.9944 0.9982 -4.5949 3 752.1256549 89502 303911675 901774 a-Alanine, conf. I
461080.9944 0.9982 -4.5949 3 752.1256549 89502 303911775 901674 a-Alanine, conf. I
461080.9944 0.9982 -5.0922 3 752.1256549 89502 303911775 901774 a-Alanine, conf. I
461093.0735 1.9440 -5.2933 3 785.4879507 89502 303844440 834439 a-Alanine, conf. I
461093.0735 1.9440 -5.2933 3 785.4879507 89502 303844441 834440 a-Alanine, conf. I
461095.8887 2.3463 -5.2571 3 419.8557393 89502 303652244 642144 a-Alanine, conf. I
461116.6018 1.0243 -5.0980 3 773.8547579 89502 30396 987 95 986 a-Alanine, conf. I
461116.6018 1.0243 -4.5218 3 773.8547579 89502 30396 987 951086 a-Alanine, conf. I
461116.6018 1.0243 -4.5218 3 773.8547579 89502 303961087 95 986 a-Alanine, conf. I
461116.6018 1.0243 -5.0980 3 773.8547579 89502 303961087 951086 a-Alanine, conf. I
461124.6482 17.2909 -5.2327 3 749.6192519 89502 303863056 853155 a-Alanine, conf. I
461158.5172 0.3271 -4.2729 3 396.0207369 89502 303612933 602832 a-Alanine, conf. I
461158.6705 0.3271 -5.1911 3 396.0207369 89502 303612932 602832 a-Alanine, conf. I
461159.1949 0.3272 -5.1911 3 396.0206369 89502 303612933 602833 a-Alanine, conf. I
461159.3482 0.3272 -4.2729 3 396.0206369 89502 303612932 602833 a-Alanine, conf. I
461300.7851 0.1787 -5.0668 3 347.3457303 89502 3035041 9 4940 9 a-Alanine, conf. I
461300.7851 0.1787 -3.9377 3 347.3457303 89502 3035041 9 494010 a-Alanine, conf. I
461300.7851 0.1787 -3.9377 3 347.3457303 89502 303504110 4940 9 a-Alanine, conf. I
461300.7851 0.1787 -5.0668 3 347.3457303 89502 303504110 494010 a-Alanine, conf. I
461302.7311 0.2947 -4.1865 3 382.4715357 89502 303593129 583028 a-Alanine, conf. I
461302.7312 0.2947 -5.1660 3 382.4715357 89502 303593128 583028 a-Alanine, conf. I
461302.7317 0.2947 -5.1660 3 382.4715357 89502 303593129 583029 a-Alanine, conf. I
461302.7318 0.2947 -4.1865 3 382.4715357 89502 303593128 583029 a-Alanine, conf. I
461352.9574 1.3956 -5.2614 3 444.6984399 89502 303662640 652540 a-Alanine, conf. I
461357.6604 0.3122 -4.2269 3 389.0239363 89502 303603031 592930 a-Alanine, conf. I
461357.6652 0.3122 -5.1784 3 389.0239363 89502 303603030 592930 a-Alanine, conf. I
461357.6835 0.3122 -5.1784 3 389.0239363 89502 303603031 592931 a-Alanine, conf. I
461357.6882 0.3122 -4.2269 3 389.0239363 89502 303603030 592931 a-Alanine, conf. I
461383.4059 2.0714 -5.0842 3 789.2929615 89502 303A2 1A1 A1 1A0 a-Alanine, conf. I
461383.4059 2.0714 -4.4519 3 789.2929615 89502 303A2 1A1 A1 2A0 a-Alanine, conf. I
461383.4059 2.0714 -4.4519 3 789.2929615 89502 303A2 2A1 A1 1A0 a-Alanine, conf. I
461383.4059 2.0714 -5.0842 3 789.2929615 89502 303A2 2A1 A1 2A0 a-Alanine, conf. I
461412.5802 0.9999 -4.7094 3 718.7074519 89502 303862363 852462 a-Alanine, conf. I
461412.6199 0.9999 -5.0600 3 718.7074519 89502 303862463 852462 a-Alanine, conf. I
461412.6659 0.9999 -5.0600 3 718.7074519 89502 303862363 852362 a-Alanine, conf. I
461412.7057 0.9999 -4.7094 3 718.7074519 89502 303862463 852362 a-Alanine, conf. I
461432.0903 1.3563 -5.0944 3 783.4211597 89502 30399 594 98 593 a-Alanine, conf. I
461432.0903 1.3563 -4.4869 3 783.4211597 89502 30399 594 98 693 a-Alanine, conf. I
461432.0903 1.3563 -4.4869 3 783.4211597 89502 30399 694 98 593 a-Alanine, conf. I
461432.0903 1.3563 -5.0944 3 783.4211597 89502 30399 694 98 693 a-Alanine, conf. I
461504.3548 5.8552 -4.8777 3 645.2261483 89502 303802853 792752 a-Alanine, conf. I
461533.1271 27.4427 -5.4830 3 823.1391543 89502 303903258 893357 a-Alanine, conf. I
461597.5773 1.1492 -5.2872 3 373.4932381 89502 303631548 621448 a-Alanine, conf. I
461597.5873 1.1492 -5.2872 3 373.4932381 89502 303631648 621548 a-Alanine, conf. I
461639.8792 2.0296 -5.2714 3 779.0049507 89502 303844341 834340 a-Alanine, conf. I
461639.8792 2.0296 -5.2714 3 779.0049507 89502 303844342 834341 a-Alanine, conf. I
461640.0257 2.7362 -5.1195 3 723.7254501 89502 303833648 823647 a-Alanine, conf. I
461641.1563 2.7375 -5.1195 3 723.7254501 89502 303833647 823646 a-Alanine, conf. I
461653.1952 4.0764 -4.8707 3 660.3897489 89502 303812854 802753 a-Alanine, conf. I
461667.6503 1.0139 -5.0849 3 741.5000537 89502 303891970 881969 a-Alanine, conf. I
461667.6503 1.0139 -4.6369 3 741.5000537 89502 303891970 882069 a-Alanine, conf. I
461667.6503 1.0139 -4.6369 3 741.5000537 89502 303892070 881969 a-Alanine, conf. I
461667.6503 1.0139 -5.0849 3 741.5000537 89502 303892070 882069 a-Alanine, conf. I
461723.5310 5.1890 -5.2888 3 466.0415411 89502 303682444 672344 a-Alanine, conf. I
461740.3543 0.7047 -5.3743 3 339.2901375 89502 303621052 61 952 a-Alanine, conf. I
461740.3543 0.7047 -5.3743 3 339.2901375 89502 303621152 611052 a-Alanine, conf. I
461787.4455 1.6999 -4.9785 3 249.9970309 89502 303511536 501437 a-Alanine, conf. I
461799.8200 0.9787 -5.1009 3 768.1082567 89502 303941282 931281 a-Alanine, conf. I
461799.8200 0.9787 -4.5537 3 768.1082567 89502 303941282 931381 a-Alanine, conf. I
461799.8200 0.9787 -4.5537 3 768.1082567 89502 303941382 931281 a-Alanine, conf. I
461799.8200 0.9787 -5.1009 3 768.1082567 89502 303941382 931381 a-Alanine, conf. I
461949.2310 1.6641 -4.9783 3 249.9969309 89502 303511636 501337 a-Alanine, conf. I
461987.8771 0.1795 -5.0760 3 350.2849309 89502 303514011 503911 a-Alanine, conf. I
461987.8771 0.1795 -3.9569 3 350.2849309 89502 303514011 503912 a-Alanine, conf. I
461987.8771 0.1795 -3.9569 3 350.2849309 89502 303514012 503911 a-Alanine, conf. I
461987.8771 0.1795 -5.0760 3 350.2849309 89502 303514012 503912 a-Alanine, conf. I
462009.8982 1.7140 -4.8714 3 691.1021501 89502 303832756 822855 a-Alanine, conf. I
462056.7453 3.3340 -5.0350 3 690.4216495 89502 303823251 813250 a-Alanine, conf. I
462239.4179 2.1212 -5.2501 3 772.7085507 89502 303844242 834241 a-Alanine, conf. I
462239.4179 2.1212 -5.2501 3 772.7085507 89502 303844243 834242 a-Alanine, conf. I
462331.6568 1.0825 -5.1025 3 780.4222585 89502 30397 889 96 888 a-Alanine, conf. I
462331.6568 1.0825 -4.5176 3 780.4222585 89502 30397 889 96 988 a-Alanine, conf. I
462331.6568 1.0825 -4.5176 3 780.4222585 89502 30397 989 96 888 a-Alanine, conf. I
462331.6568 1.0825 -5.1025 3 780.4222585 89502 30397 989 96 988 a-Alanine, conf. I
462381.6361 0.9988 -5.0997 3 760.3012555 89502 303921577 911576 a-Alanine, conf. I
462381.6361 0.9988 -4.5880 3 760.3012555 89502 303921577 911676 a-Alanine, conf. I
462381.6361 0.9988 -4.5880 3 760.3012555 89502 303921677 911576 a-Alanine, conf. I
462381.6361 0.9988 -5.0997 3 760.3012555 89502 303921677 911676 a-Alanine, conf. I
462385.8776 3.6868 -5.2681 3 435.1825399 89502 303662244 652144 a-Alanine, conf. I
462398.9852 2.3246 -5.0855 3 794.0085621 89502 303A3 0A3 A2 0A2 a-Alanine, conf. I
462398.9852 2.3246 -4.4478 3 794.0085621 89502 303A3 0A3 A2 1A2 a-Alanine, conf. I
462398.9852 2.3246 -4.4478 3 794.0085621 89502 303A3 1A3 A2 0A2 a-Alanine, conf. I
462398.9852 2.3246 -5.0855 3 794.0085621 89502 303A3 1A3 A2 1A2 a-Alanine, conf. I
462414.7783 1.4092 -5.0014 3 679.4440495 89502 303822954 812953 a-Alanine, conf. I
462415.6791 22.5298 -5.3570 3 785.9587531 89502 303883157 873256 a-Alanine, conf. I
462468.1964 0.4627 -5.2428 3 432.1066393 89502 303652640 642540 a-Alanine, conf. I
462476.1091 3.5757 -4.9145 3 287.5927327 89502 303541836 531737 a-Alanine, conf. I
462484.0602 1.0126 -4.6907 3 728.6410525 89502 303872265 862364 a-Alanine, conf. I
462484.0618 1.0126 -5.0720 3 728.6410525 89502 303872365 862364 a-Alanine, conf. I
462484.0637 1.0126 -5.0720 3 728.6410525 89502 303872265 862264 a-Alanine, conf. I
462484.0653 1.0126 -4.6907 3 728.6410525 89502 303872365 862264 a-Alanine, conf. I
462498.9228 1.5527 -4.9175 3 290.3801327 89502 303542035 531736 a-Alanine, conf. I
462513.8873 1.3043 -5.6160 3 892.2527513 89502 303855629 845628 a-Alanine, conf. I
462513.8873 1.3043 -5.6160 3 892.2527513 89502 303855630 845629 a-Alanine, conf. I
462555.8244 1.5120 -5.0973 3 789.0723603 89502 303A0 496 99 495 a-Alanine, conf. I
462555.8244 1.5120 -4.4830 3 789.0723603 89502 303A0 496 99 595 a-Alanine, conf. I
462555.8244 1.5120 -4.4830 3 789.0723603 89502 303A0 596 99 495 a-Alanine, conf. I
462555.8244 1.5120 -5.0973 3 789.0723603 89502 303A0 596 99 595 a-Alanine, conf. I
462562.6351 1.0262 -5.1114 3 222.3984297 89502 303491237 481138 a-Alanine, conf. I
462563.3853 1.0261 -5.1114 3 222.3984297 89502 303491337 481038 a-Alanine, conf. I
462659.2859 0.1865 -5.0856 3 353.5806315 89502 303523913 513813 a-Alanine, conf. I
462659.2859 0.1865 -3.9773 3 353.5806315 89502 303523913 513814 a-Alanine, conf. I
462659.2859 0.1865 -3.9773 3 353.5806315 89502 303523914 513813 a-Alanine, conf. I
462659.2859 0.1865 -5.0856 3 353.5806315 89502 303523914 513814 a-Alanine, conf. I
462684.3084 1.6703 -5.2650 3 397.1570387 89502 303641846 631746 a-Alanine, conf. I
462690.2619 1.6676 -5.2650 3 397.1571387 89502 303641946 631846 a-Alanine, conf. I
462718.5411 0.8382 -4.9385 3 647.8980483 89502 303802852 792851 a-Alanine, conf. I
462741.7587 4.8501 -5.2798 3 450.6061405 89502 303672344 662244 a-Alanine, conf. I
462746.0378 1.3458 -5.5861 3 883.6992513 89502 303855530 845529 a-Alanine, conf. I
462746.0378 1.3458 -5.5861 3 883.6992513 89502 303855531 845530 a-Alanine, conf. I
462899.9567 2.2201 -5.2294 3 766.6025507 89502 303844144 834143 a-Alanine, conf. I
462899.9568 2.2201 -5.2294 3 766.6025507 89502 303844143 834142 a-Alanine, conf. I
462944.4698 1.0206 -5.0941 3 750.3970543 89502 303901872 891871 a-Alanine, conf. I
462944.4698 1.0206 -4.6271 3 750.3970543 89502 303901872 891971 a-Alanine, conf. I
462944.4698 1.0206 -4.6271 3 750.3970543 89502 303901972 891871 a-Alanine, conf. I
462944.4698 1.0206 -5.0941 3 750.3970543 89502 303901972 891971 a-Alanine, conf. I
462964.7206 2.9332 -5.1013 3 718.8574501 89502 303833549 823548 a-Alanine, conf. I
462973.7707 2.9430 -5.1013 3 718.8577501 89502 303833548 823547 a-Alanine, conf. I
462993.9343 1.3916 -5.5571 3 875.3125513 89502 303855431 845430 a-Alanine, conf. I
462993.9343 1.3916 -5.5571 3 875.3125513 89502 303855432 845431 a-Alanine, conf. I
462994.1702 0.6984 -5.4035 3 334.1651375 89502 30362 953 61 853 a-Alanine, conf. I
462994.1702 0.6984 -5.4035 3 334.1651375 89502 303621053 61 953 a-Alanine, conf. I
463045.1366 3.4937 -5.2934 3 481.4429417 89502 303692544 682444 a-Alanine, conf. I
463066.0027 0.9921 -5.1067 3 775.3677573 89502 303951184 941183 a-Alanine, conf. I
463066.0027 0.9921 -4.5488 3 775.3677573 89502 303951184 941283 a-Alanine, conf. I
463066.0027 0.9921 -4.5488 3 775.3677573 89502 303951284 941183 a-Alanine, conf. I
463066.0027 0.9921 -5.1067 3 775.3677573 89502 303951284 941283 a-Alanine, conf. I
463072.8894 2.1116 -5.2596 3 438.3945399 89502 303662443 652343 a-Alanine, conf. I
463091.9683 7.8417 -4.8854 3 630.1534477 89502 303792852 782751 a-Alanine, conf. I
463138.3906 0.3029 -5.0312 3 346.0646279 89502 3034646 0 4545 0 a-Alanine, conf. I
463138.3906 0.3029 -3.8654 3 346.0646279 89502 3034646 0 4545 1 a-Alanine, conf. I
463138.3906 0.3029 -3.8654 3 346.0646279 89502 3034646 1 4545 0 a-Alanine, conf. I
463138.3906 0.3029 -5.0312 3 346.0646279 89502 3034646 1 4545 1 a-Alanine, conf. I
463174.2096 4.2410 -5.0329 3 690.4667495 89502 303823250 813249 a-Alanine, conf. I
463189.3289 2.7222 -4.8659 3 675.6518495 89502 303822855 812754 a-Alanine, conf. I
463258.9352 1.4414 -5.5288 3 867.0933513 89502 303855332 845331 a-Alanine, conf. I
463258.9352 1.4414 -5.5288 3 867.0933513 89502 303855333 845332 a-Alanine, conf. I
463261.4625 1.7053 -5.2742 3 457.3665405 89502 303672641 662541 a-Alanine, conf. I
463310.5355 0.1975 -5.0955 3 357.2362321 89502 303533815 523715 a-Alanine, conf. I
463310.5355 0.1975 -3.9989 3 357.2362321 89502 303533815 523716 a-Alanine, conf. I
463310.5355 0.1975 -3.9989 3 357.2362321 89502 303533816 523715 a-Alanine, conf. I
463310.5355 0.1975 -5.0955 3 357.2362321 89502 303533816 523716 a-Alanine, conf. I
463347.0417 0.9931 -5.0182 3 691.1021501 89502 303832856 822855 a-Alanine, conf. I
463413.7208 1.0237 -5.3009 3 369.0314381 89502 303631449 621349 a-Alanine, conf. I
463413.7215 1.0237 -5.3009 3 369.0314381 89502 303631549 621449 a-Alanine, conf. I
463452.6691 1.3014 -5.2563 3 441.3880399 89502 303662542 652442 a-Alanine, conf. I
463461.9388 1.0041 -4.8097 3 702.3926507 89502 303842658 832757 a-Alanine, conf. I
463522.7665 0.3772 -4.4229 3 423.3088387 89502 303642738 632637 a-Alanine, conf. I
463524.1354 1.1638 -5.1066 3 786.7718591 89502 30398 791 97 790 a-Alanine, conf. I
463524.1354 1.1638 -4.5136 3 786.7718591 89502 30398 791 97 890 a-Alanine, conf. I
463524.1354 1.1638 -4.5136 3 786.7718591 89502 30398 891 97 790 a-Alanine, conf. I
463524.1354 1.1638 -5.1066 3 786.7718591 89502 30398 891 97 890 a-Alanine, conf. I
463542.5693 1.4951 -5.5013 3 859.0428513 89502 303855233 845232 a-Alanine, conf. I
463542.5693 1.4951 -5.5013 3 859.0428513 89502 303855234 845233 a-Alanine, conf. I
463575.1714 0.9830 -5.0356 3 702.3926507 89502 303842758 832757 a-Alanine, conf. I
463631.8997 2.3278 -5.2092 3 760.6914507 89502 303844045 834044 a-Alanine, conf. I
463631.8999 2.3278 -5.2092 3 760.6914507 89502 303844044 834043 a-Alanine, conf. I
463643.8920 1.0246 -4.6755 3 738.3091531 89502 303882167 872266 a-Alanine, conf. I
463643.8921 1.0246 -5.0832 3 738.3091531 89502 303882267 872266 a-Alanine, conf. I
463643.8922 1.0246 -5.0832 3 738.3091531 89502 303882167 872166 a-Alanine, conf. I
463643.8922 1.0246 -4.6755 3 738.3091531 89502 303882267 872166 a-Alanine, conf. I
463651.8510 1.6942 -5.0998 3 794.5009609 89502 303A1 398 A0 397 a-Alanine, conf. I
463651.8510 1.6942 -4.4792 3 794.5009609 89502 303A1 398 A0 497 a-Alanine, conf. I
463651.8510 1.6942 -4.4792 3 794.5009609 89502 303A1 498 A0 397 a-Alanine, conf. I
463651.8510 1.6942 -5.0998 3 794.5009609 89502 303A1 498 A0 497 a-Alanine, conf. I
463677.5490 0.9753 -5.0354 3 702.3854507 89502 303842658 832657 a-Alanine, conf. I
463678.2360 0.9991 -5.1069 3 768.2566561 89502 303931479 921478 a-Alanine, conf. I
463678.2360 0.9991 -4.5819 3 768.2566561 89502 303931479 921578 a-Alanine, conf. I
463678.2360 0.9991 -4.5819 3 768.2566561 89502 303931579 921478 a-Alanine, conf. I
463678.2360 0.9991 -5.1069 3 768.2566561 89502 303931579 921578 a-Alanine, conf. I
463678.8057 0.3526 -5.2288 3 423.3088387 89502 303642737 632637 a-Alanine, conf. I
463701.9826 7.3532 -4.7773 3 387.6977375 89502 303622339 612240 a-Alanine, conf. I
463713.8427 3.0925 -5.0192 3 686.5864495 89502 303823152 813151 a-Alanine, conf. I
463763.6248 6.0472 -4.8982 3 323.9248345 89502 303572037 561938 a-Alanine, conf. I
463790.7815 0.9758 -4.8090 3 702.3854507 89502 303842758 832657 a-Alanine, conf. I
463840.0957 2.0687 -4.9495 3 262.3524315 89502 303521636 511537 a-Alanine, conf. I
463846.5654 1.5524 -5.4745 3 851.1619513 89502 303855134 845133 a-Alanine, conf. I
463846.5654 1.5524 -5.4745 3 851.1619513 89502 303855135 845134 a-Alanine, conf. I
463862.3543 0.2593 -5.0389 3 347.4403285 89502 3034745 2 4644 2 a-Alanine, conf. I
463862.3543 0.2593 -3.8802 3 347.4403285 89502 3034745 2 4644 3 a-Alanine, conf. I
463862.3543 0.2593 -3.8802 3 347.4403285 89502 3034745 3 4644 2 a-Alanine, conf. I
463862.3543 0.2593 -5.0389 3 347.4403285 89502 3034745 3 4644 3 a-Alanine, conf. I
463935.8175 0.2109 -5.1057 3 361.2554327 89502 303543717 533617 a-Alanine, conf. I
463935.8175 0.2109 -4.0220 3 361.2554327 89502 303543717 533618 a-Alanine, conf. I
463935.8175 0.2109 -4.0220 3 361.2554327 89502 303543718 533617 a-Alanine, conf. I
463935.8175 0.2109 -5.1057 3 361.2554327 89502 303543718 533618 a-Alanine, conf. I
464052.1952 0.3541 -5.2281 3 423.2912387 89502 303642738 632638 a-Alanine, conf. I
464055.8956 1.0024 -4.7711 3 713.2931513 89502 303852560 842659 a-Alanine, conf. I
464063.3898 1.0015 -5.0514 3 713.2931513 89502 303852660 842659 a-Alanine, conf. I
464070.9294 1.0008 -5.0514 3 713.2926513 89502 303852560 842559 a-Alanine, conf. I
464078.4236 1.0000 -4.7711 3 713.2926513 89502 303852660 842559 a-Alanine, conf. I
464088.7561 2.3022 -5.0074 3 682.9790495 89502 303823053 813052 a-Alanine, conf. I
464172.8885 1.6133 -5.4485 3 843.4519513 89502 303855035 845034 a-Alanine, conf. I
464172.8885 1.6133 -5.4485 3 843.4519513 89502 303855036 845035 a-Alanine, conf. I
464173.9154 0.7221 -5.4379 3 328.8964375 89502 30362 854 61 754 a-Alanine, conf. I
464173.9154 0.7221 -5.4379 3 328.8964375 89502 30362 954 61 854 a-Alanine, conf. I
464208.2344 0.3801 -4.4218 3 423.2912387 89502 303642737 632638 a-Alanine, conf. I
464236.4048 1.0248 -5.1027 3 759.0641549 89502 303911774 901773 a-Alanine, conf. I
464236.4048 1.0248 -4.6187 3 759.0641549 89502 303911774 901873 a-Alanine, conf. I
464236.4048 1.0248 -4.6187 3 759.0641549 89502 303911874 901773 a-Alanine, conf. I
464236.4048 1.0248 -5.1027 3 759.0641549 89502 303911874 901873 a-Alanine, conf. I
464315.1596 1.0172 -5.1121 3 782.4103579 89502 303961086 951085 a-Alanine, conf. I
464315.1596 1.0172 -4.5443 3 782.4103579 89502 303961086 951185 a-Alanine, conf. I
464315.1596 1.0172 -4.5443 3 782.4103579 89502 303961186 951085 a-Alanine, conf. I
464315.1596 1.0172 -5.1121 3 782.4103579 89502 303961186 951185 a-Alanine, conf. I
464380.8421 1.0448 -5.0159 3 691.0230501 89502 303832756 822755 a-Alanine, conf. I
464448.6368 2.4468 -5.1895 3 754.9805507 89502 303843946 833945 a-Alanine, conf. I
464448.6396 2.4468 -5.1895 3 754.9805507 89502 303843945 833944 a-Alanine, conf. I
464449.9307 1.9329 -4.9486 3 262.3518315 89502 303521736 511437 a-Alanine, conf. I
464456.3306 1.2296 -4.5222 3 432.1066393 89502 303652639 642540 a-Alanine, conf. I
464473.4355 0.7376 -5.2388 3 206.9053291 89502 303481038 47 939 a-Alanine, conf. I
464473.4441 0.7376 -5.2388 3 206.9053291 89502 303481138 47 839 a-Alanine, conf. I
464474.2753 2.6333 -4.9277 3 274.8869321 89502 303531736 521637 a-Alanine, conf. I
464477.3056 2.2262 -5.2616 3 416.3363393 89502 303652045 641945 a-Alanine, conf. I
464523.7845 1.6777 -5.4231 3 835.9141513 89502 303854936 844935 a-Alanine, conf. I
464523.7845 1.6777 -5.4231 3 835.9141513 89502 303854937 844936 a-Alanine, conf. I
464527.5331 0.2256 -5.1163 3 365.6429333 89502 303553619 543519 a-Alanine, conf. I
464527.5331 0.2256 -4.0466 3 365.6429333 89502 303553619 543520 a-Alanine, conf. I
464527.5331 0.2256 -4.0466 3 365.6429333 89502 303553620 543519 a-Alanine, conf. I
464527.5331 0.2256 -5.1163 3 365.6429333 89502 303553620 543520 a-Alanine, conf. I
464532.3823 3.1669 -5.0833 3 714.2392501 89502 303833450 823449 a-Alanine, conf. I
464581.2172 0.2251 -5.0469 3 349.1627291 89502 3034844 4 4743 4 a-Alanine, conf. I
464581.2172 0.2251 -3.8958 3 349.1627291 89502 3034844 4 4743 5 a-Alanine, conf. I
464581.2172 0.2251 -3.8958 3 349.1627291 89502 3034844 5 4743 4 a-Alanine, conf. I
464581.2172 0.2251 -5.0469 3 349.1627291 89502 3034844 5 4743 5 a-Alanine, conf. I
464596.1620 3.2313 -5.0832 3 714.2413501 89502 303833449 823448 a-Alanine, conf. I
464661.1040 2.1455 -5.2612 3 416.3385393 89502 303652145 642045 a-Alanine, conf. I
464692.4613 1.2704 -5.1104 3 792.9024597 89502 30399 693 98 692 a-Alanine, conf. I
464692.4613 1.2704 -4.5097 3 792.9024597 89502 30399 693 98 792 a-Alanine, conf. I
464692.4613 1.2704 -4.5097 3 792.9024597 89502 30399 793 98 692 a-Alanine, conf. I
464692.4613 1.2704 -5.1104 3 792.9024597 89502 30399 793 98 792 a-Alanine, conf. I
464719.0728 1.9023 -5.1020 3 799.7051615 89502 303A2 2A0 A1 299 a-Alanine, conf. I
464719.0728 1.9023 -4.4754 3 799.7051615 89502 303A2 2A0 A1 399 a-Alanine, conf. I
464719.0728 1.9023 -4.4754 3 799.7051615 89502 303A2 3A0 A1 299 a-Alanine, conf. I
464719.0728 1.9023 -5.1020 3 799.7051615 89502 303A2 3A0 A1 399 a-Alanine, conf. I
464728.0693 4.1654 -4.9392 3 650.2049483 89502 303802951 792950 a-Alanine, conf. I
464842.2383 1.0172 -4.7430 3 723.8489519 89502 303862462 852561 a-Alanine, conf. I
464842.6432 1.0172 -5.0656 3 723.8489519 89502 303862562 852561 a-Alanine, conf. I
464843.0860 1.0171 -5.0656 3 723.8489519 89502 303862462 852461 a-Alanine, conf. I
464843.4910 1.0171 -4.7430 3 723.8489519 89502 303862562 852461 a-Alanine, conf. I
464861.9300 1.0352 -5.0937 3 747.7253537 89502 303892069 882068 a-Alanine, conf. I
464861.9300 1.0352 -4.6628 3 747.7253537 89502 303892069 882168 a-Alanine, conf. I
464861.9300 1.0352 -4.6628 3 747.7253537 89502 303892169 882068 a-Alanine, conf. I
464861.9300 1.0352 -5.0937 3 747.7253537 89502 303892169 882168 a-Alanine, conf. I
464901.8370 1.7456 -5.3984 3 828.5500513 89502 303854837 844836 a-Alanine, conf. I
464901.8370 1.7456 -5.3984 3 828.5500513 89502 303854838 844837 a-Alanine, conf. I
464935.4127 1.6304 -5.2856 3 470.2990411 89502 303682642 672542 a-Alanine, conf. I
464966.4123 1.0011 -5.1136 3 775.9933567 89502 303941381 931380 a-Alanine, conf. I
464966.4123 1.0011 -4.5764 3 775.9933567 89502 303941381 931480 a-Alanine, conf. I
464966.4123 1.0011 -4.5764 3 775.9933567 89502 303941481 931380 a-Alanine, conf. I
464966.4123 1.0011 -5.1136 3 775.9933567 89502 303941481 931480 a-Alanine, conf. I
465075.6036 0.9168 -5.3168 3 364.4073381 89502 303631350 621250 a-Alanine, conf. I
465075.6037 0.9168 -5.3168 3 364.4073381 89502 303631450 621350 a-Alanine, conf. I
465075.6328 0.2412 -5.1272 3 370.4041339 89502 303563521 553421 a-Alanine, conf. I
465075.6328 0.2412 -4.0730 3 370.4041339 89502 303563521 553422 a-Alanine, conf. I
465075.6328 0.2412 -4.0730 3 370.4041339 89502 303563522 553421 a-Alanine, conf. I
465075.6328 0.2412 -5.1272 3 370.4041339 89502 303563522 553422 a-Alanine, conf. I
465157.0123 1.4811 -5.2734 3 393.1163387 89502 303641747 631647 a-Alanine, conf. I
465157.6249 1.4808 -5.2734 3 393.1163387 89502 303641847 631747 a-Alanine, conf. I
465223.7886 0.5739 -5.4077 3 191.3871285 89502 30347 839 46 740 a-Alanine, conf. I
465223.7886 0.5739 -5.4077 3 191.3871285 89502 30347 939 46 640 a-Alanine, conf. I
465288.2998 0.7723 -5.4791 3 323.4862375 89502 30362 755 61 655 a-Alanine, conf. I
465288.2998 0.7723 -5.4791 3 323.4862375 89502 30362 855 61 755 a-Alanine, conf. I
465293.5698 0.2013 -5.0552 3 351.2336297 89502 3034943 6 4842 6 a-Alanine, conf. I
465293.5698 0.2013 -3.9123 3 351.2336297 89502 3034943 6 4842 7 a-Alanine, conf. I
465293.5698 0.2013 -3.9123 3 351.2336297 89502 3034943 7 4842 6 a-Alanine, conf. I
465293.5698 0.2013 -5.0552 3 351.2336297 89502 3034943 7 4842 7 a-Alanine, conf. I
465310.0395 1.8173 -5.3744 3 821.3613513 89502 303854738 844737 a-Alanine, conf. I
465310.0395 1.8173 -5.3744 3 821.3613513 89502 303854739 844738 a-Alanine, conf. I
465367.8794 2.5805 -5.1702 3 749.4764507 89502 303843847 833846 a-Alanine, conf. I
465367.9089 2.5805 -5.1702 3 749.4764507 89502 303843846 833845 a-Alanine, conf. I
465375.0250 0.3444 -4.3503 3 415.0489381 89502 303632836 622735 a-Alanine, conf. I
465383.8700 0.3456 -5.2136 3 415.0489381 89502 303632835 622735 a-Alanine, conf. I
465409.1720 0.3489 -5.2136 3 415.0477381 89502 303632836 622736 a-Alanine, conf. I
465418.0170 0.3503 -4.3503 3 415.0477381 89502 303632835 622736 a-Alanine, conf. I
465534.9892 1.0267 -5.1109 3 767.5056555 89502 303921676 911675 a-Alanine, conf. I
465534.9892 1.0267 -4.6114 3 767.5056555 89502 303921676 911775 a-Alanine, conf. I
465534.9892 1.0267 -4.6114 3 767.5056555 89502 303921776 911675 a-Alanine, conf. I
465534.9892 1.0267 -5.1109 3 767.5056555 89502 303921776 911775 a-Alanine, conf. I
465545.0301 1.0583 -5.1171 3 789.2359585 89502 30397 988 96 987 a-Alanine, conf. I
465545.0301 1.0583 -4.5402 3 789.2359585 89502 30397 988 961087 a-Alanine, conf. I
465545.0301 1.0583 -4.5402 3 789.2359585 89502 303971088 96 987 a-Alanine, conf. I
465545.0301 1.0583 -5.1171 3 789.2359585 89502 303971088 961087 a-Alanine, conf. I
465566.6354 0.2575 -5.1384 3 375.5456345 89502 303573423 563323 a-Alanine, conf. I
465566.6354 0.2575 -4.1015 3 375.5456345 89502 303573423 563324 a-Alanine, conf. I
465566.6354 0.2575 -4.1015 3 375.5456345 89502 303573424 563323 a-Alanine, conf. I
465566.6354 0.2575 -5.1384 3 375.5456345 89502 303573424 563324 a-Alanine, conf. I
465604.7080 2.4876 -5.2628 3 435.2362399 89502 303662344 652244 a-Alanine, conf. I
465717.9857 1.8279 -4.8635 3 691.0230501 89502 303832856 822755 a-Alanine, conf. I
465751.8878 1.8930 -5.3510 3 814.3499513 89502 303854639 844638 a-Alanine, conf. I
465751.8878 1.8930 -5.3510 3 814.3499513 89502 303854640 844639 a-Alanine, conf. I
465756.4728 2.1358 -5.1039 3 804.6830621 89502 303A3 1A2 A2 1A1 a-Alanine, conf. I
465756.4728 2.1358 -4.4715 3 804.6830621 89502 303A3 1A2 A2 2A1 a-Alanine, conf. I
465756.4728 2.1358 -4.4715 3 804.6830621 89502 303A3 2A2 A2 1A1 a-Alanine, conf. I
465756.4728 2.1358 -5.1039 3 804.6830621 89502 303A3 2A2 A2 2A1 a-Alanine, conf. I
465813.4728 1.0308 -4.7213 3 734.0985525 89502 303872364 862463 a-Alanine, conf. I
465813.4911 1.0308 -5.0786 3 734.0985525 89502 303872464 862463 a-Alanine, conf. I
465813.5125 1.0308 -5.0786 3 734.0985525 89502 303872364 862363 a-Alanine, conf. I
465813.5308 1.0308 -4.7213 3 734.0985525 89502 303872464 862363 a-Alanine, conf. I
465835.2185 1.4036 -5.1138 3 798.8128603 89502 303A0 595 99 594 a-Alanine, conf. I
465835.2185 1.4036 -4.5060 3 798.8128603 89502 303A0 595 99 694 a-Alanine, conf. I
465835.2185 1.4036 -4.5060 3 798.8128603 89502 303A0 695 99 594 a-Alanine, conf. I
465835.2185 1.4036 -5.1138 3 798.8128603 89502 303A0 695 99 694 a-Alanine, conf. I
465843.8648 1.3607 -4.9618 3 663.3326489 89502 303812853 802852 a-Alanine, conf. I
465982.1183 0.2747 -5.1499 3 381.0757351 89502 303583325 573225 a-Alanine, conf. I
465982.1183 0.2747 -4.1324 3 381.0757351 89502 303583325 573226 a-Alanine, conf. I
465982.1183 0.2747 -4.1324 3 381.0757351 89502 303583326 573225 a-Alanine, conf. I
465982.1183 0.2747 -5.1499 3 381.0757351 89502 303583326 573226 a-Alanine, conf. I
465997.6082 0.1879 -5.0640 3 353.6547303 89502 3035042 8 4941 8 a-Alanine, conf. I
465997.6082 0.1879 -3.9297 3 353.6547303 89502 3035042 8 4941 9 a-Alanine, conf. I
465997.6082 0.1879 -3.9297 3 353.6547303 89502 3035042 9 4941 8 a-Alanine, conf. I
465997.6082 0.1879 -5.0640 3 353.6547303 89502 3035042 9 4941 9 a-Alanine, conf. I
466117.8724 1.0439 -5.1036 3 756.8996543 89502 303901971 891970 a-Alanine, conf. I
466117.8724 1.0439 -4.6521 3 756.8996543 89502 303901971 892070 a-Alanine, conf. I
466117.8724 1.0439 -4.6521 3 756.8996543 89502 303902071 891970 a-Alanine, conf. I
466117.8724 1.0439 -5.1036 3 756.8996543 89502 303902071 892070 a-Alanine, conf. I
466146.4147 0.3419 -4.2933 3 407.3385375 89502 303622934 612833 a-Alanine, conf. I
466146.7957 0.3420 -5.1998 3 407.3385375 89502 303622933 612833 a-Alanine, conf. I
466148.0510 0.3422 -5.1998 3 407.3385375 89502 303622934 612834 a-Alanine, conf. I
466148.4320 0.3422 -4.2933 3 407.3385375 89502 303622933 612834 a-Alanine, conf. I
466231.5019 1.9730 -5.3282 3 807.5181513 89502 303854540 844539 a-Alanine, conf. I
466231.5019 1.9730 -5.3282 3 807.5181513 89502 303854541 844540 a-Alanine, conf. I
466242.5675 1.0077 -5.1200 3 783.5122573 89502 303951283 941282 a-Alanine, conf. I
466242.5675 1.0077 -4.5714 3 783.5122573 89502 303951283 941382 a-Alanine, conf. I
466242.5675 1.0077 -4.5714 3 783.5122573 89502 303951383 941282 a-Alanine, conf. I
466242.5675 1.0077 -5.1200 3 783.5122573 89502 303951383 941382 a-Alanine, conf. I
466296.2877 0.2927 -5.1618 3 387.0047357 89502 303593227 583127 a-Alanine, conf. I
466296.2877 0.2927 -4.1661 3 387.0047357 89502 303593228 583127 a-Alanine, conf. I
466296.2878 0.2927 -4.1661 3 387.0047357 89502 303593227 583128 a-Alanine, conf. I
466296.2878 0.2927 -5.1618 3 387.0047357 89502 303593228 583128 a-Alanine, conf. I
466344.5900 0.8439 -5.5290 3 317.9365375 89502 30362 656 61 556 a-Alanine, conf. I
466344.5900 0.8439 -5.5290 3 317.9365375 89502 30362 756 61 656 a-Alanine, conf. I
466369.5170 3.3980 -5.0656 3 709.8919501 89502 303833351 823350 a-Alanine, conf. I
466413.8249 2.7340 -5.1514 3 744.1874507 89502 303843748 833747 a-Alanine, conf. I
466414.1058 2.7344 -5.1514 3 744.1874507 89502 303843747 833746 a-Alanine, conf. I
466452.3996 0.3283 -4.2453 3 400.1157369 89502 303613032 602931 a-Alanine, conf. I
466452.4124 0.3283 -5.1867 3 400.1157369 89502 303613031 602931 a-Alanine, conf. I
466452.4598 0.3283 -5.1867 3 400.1157369 89502 303613032 602932 a-Alanine, conf. I
466452.4725 0.3283 -4.2453 3 400.1157369 89502 303613031 602932 a-Alanine, conf. I
466471.8448 0.3109 -4.2034 3 393.3456363 89502 303603130 593029 a-Alanine, conf. I
466471.8451 0.3109 -5.1741 3 393.3456363 89502 303603129 593029 a-Alanine, conf. I
466471.8465 0.3109 -5.1741 3 393.3456363 89502 303603130 593030 a-Alanine, conf. I
466471.8469 0.3109 -4.2034 3 393.3456363 89502 303603129 593030 a-Alanine, conf. I
466537.4276 9.6256 -4.8899 3 615.1733471 89502 303782851 772750 a-Alanine, conf. I
466544.5685 2.1798 -4.9251 3 274.8843321 89502 303531836 521537 a-Alanine, conf. I
466552.8815 1.2229 -5.0629 3 234.4344303 89502 303501337 491238 a-Alanine, conf. I
466556.7516 1.2220 -5.0629 3 234.4344303 89502 303501437 491138 a-Alanine, conf. I
466608.8879 0.8308 -5.3351 3 359.6261381 89502 303631251 621151 a-Alanine, conf. I
466608.8879 0.8308 -5.3351 3 359.6261381 89502 303631351 621251 a-Alanine, conf. I
466678.4197 8.6429 -4.7830 3 526.3459435 89502 303722746 712645 a-Alanine, conf. I
466691.0250 0.1842 -5.0730 3 356.4282309 89502 303514110 504010 a-Alanine, conf. I
466691.0250 0.1842 -3.9483 3 356.4282309 89502 303514110 504011 a-Alanine, conf. I
466691.0250 0.1842 -3.9483 3 356.4282309 89502 303514111 504010 a-Alanine, conf. I
466691.0250 0.1842 -5.0730 3 356.4282309 89502 303514111 504011 a-Alanine, conf. I
466753.6465 1.1196 -5.1218 3 795.8439591 89502 30398 890 97 889 a-Alanine, conf. I
466753.6465 1.1196 -4.5363 3 795.8439591 89502 30398 890 97 989 a-Alanine, conf. I
466753.6465 1.1196 -4.5363 3 795.8439591 89502 30398 990 97 889 a-Alanine, conf. I
466753.6465 1.1196 -5.1218 3 795.8439591 89502 30398 990 97 989 a-Alanine, conf. I
466753.7884 2.0579 -5.3059 3 800.8683513 89502 303854441 844440 a-Alanine, conf. I
466753.7884 2.0579 -5.3059 3 800.8683513 89502 303854442 844441 a-Alanine, conf. I
466755.7932 3.7524 -5.0648 3 709.9061501 89502 303833350 823349 a-Alanine, conf. I
466763.1022 2.3941 -5.1054 3 809.4325627 89502 303A4 0A4 A3 0A3 a-Alanine, conf. I
466763.1022 2.3941 -4.4677 3 809.4325627 89502 303A4 0A4 A3 1A3 a-Alanine, conf. I
466763.1022 2.3941 -4.4677 3 809.4325627 89502 303A4 1A4 A3 0A3 a-Alanine, conf. I
466763.1022 2.3941 -5.1054 3 809.4325627 89502 303A4 1A4 A3 1A3 a-Alanine, conf. I
466830.5686 1.3280 -4.8678 3 706.5577507 89502 303842757 832856 a-Alanine, conf. I
466833.6773 1.0271 -5.1187 3 775.7246561 89502 303931578 921577 a-Alanine, conf. I
466833.6773 1.0271 -4.6050 3 775.7246561 89502 303931578 921677 a-Alanine, conf. I
466833.6773 1.0271 -4.6050 3 775.7246561 89502 303931678 921577 a-Alanine, conf. I
466833.6773 1.0271 -5.1187 3 775.7246561 89502 303931678 921677 a-Alanine, conf. I
466906.9023 1.0436 -4.7039 3 744.0678531 89502 303882266 872365 a-Alanine, conf. I
466906.9030 1.0436 -5.0907 3 744.0678531 89502 303882366 872365 a-Alanine, conf. I
466906.9039 1.0436 -5.0907 3 744.0678531 89502 303882266 872265 a-Alanine, conf. I
466906.9046 1.0436 -4.7039 3 744.0678531 89502 303882366 872265 a-Alanine, conf. I
466951.1224 1.5636 -5.1169 3 804.5015609 89502 303A1 497 A0 496 a-Alanine, conf. I
466951.1224 1.5636 -4.5024 3 804.5015609 89502 303A1 497 A0 596 a-Alanine, conf. I
466951.1224 1.5636 -4.5024 3 804.5015609 89502 303A1 597 A0 496 a-Alanine, conf. I
466951.1224 1.5636 -5.1169 3 804.5015609 89502 303A1 597 A0 596 a-Alanine, conf. I
466994.2340 1.6848 -5.1116 3 282.6153321 89502 303532133 521834 a-Alanine, conf. I
467014.2755 1.2502 -5.0195 3 694.8685501 89502 303832955 822954 a-Alanine, conf. I
467058.7094 0.9547 -5.2950 3 483.4822417 89502 303692643 682543 a-Alanine, conf. I
467116.7014 6.0207 -4.9731 3 668.2364489 89502 303813051 803050 a-Alanine, conf. I
467292.9616 0.6053 -5.2530 3 444.3781399 89502 303662641 652541 a-Alanine, conf. I
467299.0131 4.3272 -4.6370 3 429.1109393 89502 303652540 642441 a-Alanine, conf. I
467324.6610 2.1484 -5.2843 3 794.4036513 89502 303854342 844341 a-Alanine, conf. I
467324.6610 2.1484 -5.2843 3 794.4036513 89502 303854343 844342 a-Alanine, conf. I
467341.5920 1.3176 -5.2834 3 388.8904387 89502 303641648 631548 a-Alanine, conf. I
467341.6468 1.3175 -5.2834 3 388.8904387 89502 303641748 631648 a-Alanine, conf. I
467348.9210 0.9319 -5.5910 3 312.2488375 89502 30362 557 61 457 a-Alanine, conf. I
467348.9210 0.9319 -5.5910 3 312.2488375 89502 30362 657 61 557 a-Alanine, conf. I
467370.8671 0.1882 -5.0824 3 359.5567315 89502 303524012 513912 a-Alanine, conf. I
467370.8671 0.1882 -3.9679 3 359.5567315 89502 303524012 513913 a-Alanine, conf. I
467370.8671 0.1882 -3.9679 3 359.5567315 89502 303524013 513912 a-Alanine, conf. I
467370.8671 0.1882 -5.0824 3 359.5567315 89502 303524013 513913 a-Alanine, conf. I
467397.3833 1.0503 -5.1129 3 765.8391549 89502 303911873 901872 a-Alanine, conf. I
467397.3833 1.0503 -4.6430 3 765.8391549 89502 303911873 901972 a-Alanine, conf. I
467397.3833 1.0503 -4.6430 3 765.8391549 89502 303911973 901872 a-Alanine, conf. I
467397.3833 1.0503 -5.1129 3 765.8391549 89502 303911973 901972 a-Alanine, conf. I
467407.5997 3.9898 -4.9546 3 710.4464507 89502 303842856 832955 a-Alanine, conf. I
467418.5058 0.7754 -5.5456 3 211.6047279 89502 303461927 451630 a-Alanine, conf. I
467503.6958 1.0225 -5.1259 3 790.8139579 89502 303961185 951184 a-Alanine, conf. I
467503.6958 1.0225 -4.5670 3 790.8139579 89502 303961185 951284 a-Alanine, conf. I
467503.6958 1.0225 -4.5670 3 790.8139579 89502 303961285 951184 a-Alanine, conf. I
467503.6958 1.0225 -5.1259 3 790.8139579 89502 303961285 951284 a-Alanine, conf. I
467569.9108 1.0069 -5.0373 3 706.5577507 89502 303842857 832856 a-Alanine, conf. I
467591.1617 0.5145 -4.4543 3 435.3428393 89502 303652739 642638 a-Alanine, conf. I
467620.5444 2.9152 -5.1330 3 739.1241507 89502 303843649 833648 a-Alanine, conf. I
467622.9554 2.9180 -5.1330 3 739.1241507 89502 303843648 833647 a-Alanine, conf. I
467763.8162 1.0243 -4.8148 3 717.8558513 89502 303852659 842758 a-Alanine, conf. I
467797.8371 1.9182 -5.2667 3 412.5905393 89502 303651946 641846 a-Alanine, conf. I
467822.5258 1.9067 -5.2667 3 412.5908393 89502 303652046 641946 a-Alanine, conf. I
467822.5265 1.0149 -5.0547 3 717.8558513 89502 303852759 842758 a-Alanine, conf. I
467877.0487 1.0100 -5.0546 3 717.8521513 89502 303852659 842658 a-Alanine, conf. I
467911.6641 0.4144 -5.2395 3 435.3428393 89502 303652738 642638 a-Alanine, conf. I
467935.7591 1.0069 -4.8145 3 717.8521513 89502 303852759 842658 a-Alanine, conf. I
467939.2751 1.2043 -5.1262 3 802.2333597 89502 30399 792 98 791 a-Alanine, conf. I
467939.2751 1.2043 -4.5326 3 802.2333597 89502 30399 792 98 891 a-Alanine, conf. I
467939.2751 1.2043 -4.5326 3 802.2333597 89502 30399 892 98 791 a-Alanine, conf. I
467939.2751 1.2043 -5.1262 3 802.2333597 89502 30399 892 98 891 a-Alanine, conf. I
467951.3480 2.2455 -5.2632 3 788.1272513 89502 303854243 844242 a-Alanine, conf. I
467951.3480 2.2455 -5.2632 3 788.1272513 89502 303854244 844243 a-Alanine, conf. I
468033.1153 0.7694 -5.3565 3 354.6921381 89502 303631152 621052 a-Alanine, conf. I
468033.1153 0.7694 -5.3565 3 354.6921381 89502 303631252 621152 a-Alanine, conf. I
468033.3445 0.1973 -5.0922 3 363.0429321 89502 303533914 523814 a-Alanine, conf. I
468033.3445 0.1973 -3.9887 3 363.0429321 89502 303533914 523815 a-Alanine, conf. I
468033.3445 0.1973 -3.9887 3 363.0429321 89502 303533915 523814 a-Alanine, conf. I
468033.3445 0.1973 -5.0922 3 363.0429321 89502 303533915 523815 a-Alanine, conf. I
468038.9982 1.7503 -5.1197 3 809.9666615 89502 303A2 399 A1 398 a-Alanine, conf. I
468038.9982 1.7503 -4.4988 3 809.9666615 89502 303A2 399 A1 498 a-Alanine, conf. I
468038.9982 1.7503 -4.4988 3 809.9666615 89502 303A2 499 A1 398 a-Alanine, conf. I
468038.9982 1.7503 -5.1197 3 809.9666615 89502 303A2 499 A1 498 a-Alanine, conf. I
468080.5134 1.0555 -5.1020 3 753.7746537 89502 303892168 882167 a-Alanine, conf. I
468080.5134 1.0555 -4.6897 3 753.7746537 89502 303892168 882267 a-Alanine, conf. I
468080.5134 1.0555 -5.1020 3 753.7746537 89502 303892268 882267 a-Alanine, conf. I
468080.5135 1.0555 -4.6897 3 753.7746537 89502 303892268 882167 a-Alanine, conf. I
468127.2837 1.0275 -5.1260 3 783.7232567 89502 303941480 931479 a-Alanine, conf. I
468127.2837 1.0275 -4.5993 3 783.7232567 89502 303941480 931579 a-Alanine, conf. I
468127.2837 1.0275 -4.5993 3 783.7232567 89502 303941580 931479 a-Alanine, conf. I
468127.2837 1.0275 -5.1260 3 783.7232567 89502 303941580 931579 a-Alanine, conf. I
468167.7121 1.0103 -5.0360 3 706.5131507 89502 303842757 832756 a-Alanine, conf. I
468224.8859 0.8033 -5.0286 3 292.7647327 89502 303542134 531835 a-Alanine, conf. I
468233.6223 5.9093 -5.0100 3 686.8143495 89502 303823151 813150 a-Alanine, conf. I
468252.0863 1.4230 -5.5960 3 899.1348519 89502 303865531 855530 a-Alanine, conf. I
468252.0863 1.4230 -5.5960 3 899.1348519 89502 303865532 855531 a-Alanine, conf. I
468264.7260 9.2271 -5.0707 3 729.9394513 89502 303852956 843055 a-Alanine, conf. I
468304.7521 3.4443 -5.0485 3 705.8341501 89502 303833252 823251 a-Alanine, conf. I
468376.7410 2.3979 -5.2126 3 272.5795315 89502 303522132 511833 a-Alanine, conf. I
468382.5027 1.0338 -4.7799 3 728.7726519 89502 303862561 852660 a-Alanine, conf. I
468386.2025 1.0334 -5.0703 3 728.7726519 89502 303862661 852660 a-Alanine, conf. I
468389.9969 1.0331 -5.0703 3 728.7723519 89502 303862561 852560 a-Alanine, conf. I
468393.6967 1.0327 -4.7799 3 728.7723519 89502 303862661 852560 a-Alanine, conf. I
468509.5338 1.4725 -5.5673 3 890.7563519 89502 303865432 855431 a-Alanine, conf. I
468509.5338 1.4725 -5.5673 3 890.7563519 89502 303865433 855432 a-Alanine, conf. I
468547.0146 0.2897 -5.0370 3 354.3975285 89502 3034746 1 4645 1 a-Alanine, conf. I
468547.0146 0.2897 -3.8746 3 354.3975285 89502 3034746 1 4645 2 a-Alanine, conf. I
468547.0146 0.2897 -3.8746 3 354.3975285 89502 3034746 2 4645 1 a-Alanine, conf. I
468547.0146 0.2897 -5.0370 3 354.3975285 89502 3034746 2 4645 2 a-Alanine, conf. I
468549.7246 1.7350 -4.9858 3 678.8715495 89502 303822854 812853 a-Alanine, conf. I
468605.7048 2.6838 -5.2672 3 431.8296399 89502 303662145 652045 a-Alanine, conf. I
468633.5901 0.3715 -5.2382 3 435.3080393 89502 303652739 642639 a-Alanine, conf. I
468642.8321 2.3507 -5.2427 3 782.0432513 89502 303854144 844143 a-Alanine, conf. I
468642.8321 2.3507 -5.2427 3 782.0432513 89502 303854145 844144 a-Alanine, conf. I
468673.5706 0.2097 -5.1023 3 366.8905327 89502 303543816 533716 a-Alanine, conf. I
468673.5706 0.2097 -4.0108 3 366.8905327 89502 303543816 533717 a-Alanine, conf. I
468673.5706 0.2097 -4.0108 3 366.8905327 89502 303543817 533716 a-Alanine, conf. I
468673.5706 0.2097 -5.1023 3 366.8905327 89502 303543817 533717 a-Alanine, conf. I
468676.8314 2.2969 -4.9095 3 287.5827327 89502 303541936 531637 a-Alanine, conf. I
468689.9407 1.0541 -5.1217 3 774.5494555 89502 303921775 911774 a-Alanine, conf. I
468689.9407 1.0541 -4.6352 3 774.5494555 89502 303921775 911874 a-Alanine, conf. I
468689.9407 1.0541 -4.6352 3 774.5494555 89502 303921875 911774 a-Alanine, conf. I
468689.9407 1.0541 -5.1217 3 774.5494555 89502 303921875 911874 a-Alanine, conf. I
468747.2449 1.0495 -5.1315 3 797.8982585 89502 303971087 961086 a-Alanine, conf. I
468747.2449 1.0495 -4.5628 3 797.8982585 89502 303971087 961186 a-Alanine, conf. I
468747.2449 1.0495 -4.5628 3 797.8982585 89502 303971187 961086 a-Alanine, conf. I
468747.2449 1.0495 -5.1315 3 797.8982585 89502 303971187 961186 a-Alanine, conf. I
468784.7763 1.5259 -5.5395 3 882.5460519 89502 303865333 855332 a-Alanine, conf. I
468784.7763 1.5259 -5.5395 3 882.5460519 89502 303865334 855333 a-Alanine, conf. I
468907.0544 1.3319 -4.8634 3 706.5131507 89502 303842857 832756 a-Alanine, conf. I
468954.0926 0.4418 -4.4522 3 435.3080393 89502 303652738 642639 a-Alanine, conf. I
469035.5122 3.1332 -5.1148 3 734.3003507 89502 303843550 833549 a-Alanine, conf. I
469053.9242 3.1534 -5.1148 3 734.3008507 89502 303843549 833548 a-Alanine, conf. I
469079.4196 1.5831 -5.5123 3 874.5049519 89502 303865234 855233 a-Alanine, conf. I
469079.4196 1.5831 -5.5123 3 874.5049519 89502 303865235 855234 a-Alanine, conf. I
469097.7630 1.9631 -5.1220 3 815.2065621 89502 303A3 2A1 A2 2A0 a-Alanine, conf. I
469097.7630 1.9631 -4.4952 3 815.2065621 89502 303A3 2A1 A2 3A0 a-Alanine, conf. I
469097.7630 1.9631 -4.4952 3 815.2065621 89502 303A3 3A1 A2 2A0 a-Alanine, conf. I
469097.7630 1.9631 -5.1220 3 815.2065621 89502 303A3 3A1 A2 3A0 a-Alanine, conf. I
469100.3706 1.3147 -5.1301 3 808.4029603 89502 303A0 694 99 693 a-Alanine, conf. I
469100.3706 1.3147 -4.5290 3 808.4029603 89502 303A0 694 99 793 a-Alanine, conf. I
469100.3706 1.3147 -4.5290 3 808.4029603 89502 303A0 794 99 693 a-Alanine, conf. I
469100.3706 1.3147 -5.1301 3 808.4029603 89502 303A0 794 99 793 a-Alanine, conf. I
469133.6022 0.8823 -5.1743 3 218.7857297 89502 303491138 481039 a-Alanine, conf. I
469133.6577 0.8823 -5.1743 3 218.7857297 89502 303491238 48 939 a-Alanine, conf. I
469216.4888 1.0487 -4.7541 3 739.3544525 89502 303872463 862562 a-Alanine, conf. I
469216.6807 1.0487 -5.0845 3 739.3544525 89502 303872563 862562 a-Alanine, conf. I
469216.8937 1.0487 -5.0845 3 739.3544525 89502 303872463 862462 a-Alanine, conf. I
469217.0856 1.0487 -4.7541 3 739.3544525 89502 303872563 862462 a-Alanine, conf. I
469227.4037 2.4137 -5.2661 3 431.8380399 89502 303662245 652145 a-Alanine, conf. I
469268.1439 0.2497 -5.0448 3 355.9584291 89502 3034845 3 4744 3 a-Alanine, conf. I
469268.1439 0.2497 -3.8897 3 355.9584291 89502 3034845 3 4744 4 a-Alanine, conf. I
469268.1439 0.2497 -3.8897 3 355.9584291 89502 3034845 4 4744 3 a-Alanine, conf. I
469268.1439 0.2497 -5.0448 3 355.9584291 89502 3034845 4 4744 4 a-Alanine, conf. I
469285.2042 0.2240 -5.1127 3 371.1033333 89502 303553718 543618 a-Alanine, conf. I
469285.2042 0.2240 -4.0344 3 371.1033333 89502 303553718 543619 a-Alanine, conf. I
469285.2042 0.2240 -4.0344 3 371.1033333 89502 303553719 543618 a-Alanine, conf. I
469285.2042 0.2240 -5.1127 3 371.1033333 89502 303553719 543619 a-Alanine, conf. I
469304.7900 1.1737 -5.2951 3 384.4893387 89502 303641549 631449 a-Alanine, conf. I
469304.7943 1.1737 -5.2951 3 384.4893387 89502 303641649 631549 a-Alanine, conf. I
469307.0109 1.0660 -5.1126 3 763.2314543 89502 303902070 892069 a-Alanine, conf. I
469307.0109 1.0660 -4.6779 3 763.2314543 89502 303902070 892169 a-Alanine, conf. I
469307.0109 1.0660 -4.6779 3 763.2314543 89502 303902170 892069 a-Alanine, conf. I
469307.0109 1.0660 -5.1126 3 763.2314543 89502 303902170 892169 a-Alanine, conf. I
469363.5738 0.7367 -5.3813 3 349.6089381 89502 303631053 62 953 a-Alanine, conf. I
469363.5738 0.7367 -5.3813 3 349.6089381 89502 303631153 621053 a-Alanine, conf. I
469365.3327 2.0430 -5.0238 3 698.4594501 89502 303833054 823053 a-Alanine, conf. I
469395.2820 1.6438 -5.4859 3 866.6342519 89502 303865135 855134 a-Alanine, conf. I
469395.2820 1.6438 -5.4859 3 866.6342519 89502 303865136 855135 a-Alanine, conf. I
469410.4993 2.4659 -5.2227 3 776.1565513 89502 303854046 844045 a-Alanine, conf. I
469410.4999 2.4659 -5.2227 3 776.1565513 89502 303854045 844044 a-Alanine, conf. I
469411.6117 1.0300 -5.1329 3 791.5029573 89502 303951382 941381 a-Alanine, conf. I
469411.6117 1.0300 -4.5942 3 791.5029573 89502 303951382 941481 a-Alanine, conf. I
469411.6117 1.0300 -4.5942 3 791.5029573 89502 303951482 941381 a-Alanine, conf. I
469411.6117 1.0300 -5.1329 3 791.5029573 89502 303951482 941481 a-Alanine, conf. I
469656.4911 1.6890 -5.2666 3 453.8409405 89502 303672543 662443 a-Alanine, conf. I
469657.5381 2.9874 -5.0336 3 702.0543501 89502 303833153 823152 a-Alanine, conf. I
469734.4336 1.7082 -5.4602 3 858.9350519 89502 303865036 855035 a-Alanine, conf. I
469734.4336 1.7082 -5.4602 3 858.9350519 89502 303865037 855036 a-Alanine, conf. I
469859.9416 0.2394 -5.1235 3 375.6864339 89502 303563620 553520 a-Alanine, conf. I
469859.9416 0.2394 -4.0597 3 375.6864339 89502 303563620 553521 a-Alanine, conf. I
469859.9416 0.2394 -4.0597 3 375.6864339 89502 303563621 553520 a-Alanine, conf. I
469859.9416 0.2394 -5.1235 3 375.6864339 89502 303563621 553521 a-Alanine, conf. I
469971.0158 1.0932 -5.1368 3 804.7649591 89502 30398 989 97 988 a-Alanine, conf. I
469971.0158 1.0932 -4.5590 3 804.7649591 89502 30398 989 971088 a-Alanine, conf. I
469971.0158 1.0932 -4.5590 3 804.7649591 89502 303981089 97 988 a-Alanine, conf. I
469971.0158 1.0932 -5.1368 3 804.7649591 89502 303981089 971088 a-Alanine, conf. I
469983.5182 0.2198 -5.0530 3 357.8668297 89502 3034944 5 4843 5 a-Alanine, conf. I
469983.5182 0.2198 -3.9056 3 357.8668297 89502 3034944 5 4843 6 a-Alanine, conf. I
469983.5182 0.2198 -3.9056 3 357.8668297 89502 3034944 6 4843 5 a-Alanine, conf. I
469983.5182 0.2198 -5.0530 3 357.8668297 89502 3034944 6 4843 6 a-Alanine, conf. I
469987.5715 1.0557 -5.1301 3 783.0342561 89502 303931677 921676 a-Alanine, conf. I
469987.5715 1.0557 -4.6284 3 783.0342561 89502 303931677 921776 a-Alanine, conf. I
469987.5715 1.0557 -4.6284 3 783.0342561 89502 303931777 921676 a-Alanine, conf. I
469987.5715 1.0557 -5.1301 3 783.0342561 89502 303931777 921776 a-Alanine, conf. I
470099.2456 1.7761 -5.4352 3 851.4089519 89502 303864937 854936 a-Alanine, conf. I
470099.2456 1.7761 -5.4352 3 851.4089519 89502 303864938 854937 a-Alanine, conf. I
470106.0492 0.3534 -4.3752 3 426.8091387 89502 303642837 632736 a-Alanine, conf. I
470125.8592 0.3554 -5.2234 3 426.8091387 89502 303642836 632736 a-Alanine, conf. I
470126.4116 2.2015 -5.1241 3 820.2190627 89502 303A4 1A3 A3 1A2 a-Alanine, conf. I
470126.4116 2.2015 -4.4916 3 820.2190627 89502 303A4 1A3 A3 2A2 a-Alanine, conf. I
470126.4116 2.2015 -4.4916 3 820.2190627 89502 303A4 2A3 A3 1A2 a-Alanine, conf. I
470126.4116 2.2015 -5.1241 3 820.2190627 89502 303A4 2A3 A3 2A2 a-Alanine, conf. I
470150.0312 1.4503 -5.0212 3 246.6693309 89502 303511437 501338 a-Alanine, conf. I
470168.2786 1.4461 -5.0211 3 246.6693309 89502 303511537 501238 a-Alanine, conf. I
470180.0089 0.3613 -5.2233 3 426.8067387 89502 303642837 632737 a-Alanine, conf. I
470199.8189 0.3643 -4.3750 3 426.8067387 89502 303642836 632737 a-Alanine, conf. I
470212.6191 4.9452 -5.0448 3 705.9165501 89502 303833251 823250 a-Alanine, conf. I
470219.0812 1.0623 -4.7339 3 749.6364531 89502 303882365 872464 a-Alanine, conf. I
470219.0896 1.0623 -5.0976 3 749.6364531 89502 303882465 872464 a-Alanine, conf. I
470219.0995 1.0623 -5.0976 3 749.6364531 89502 303882365 872364 a-Alanine, conf. I
470219.1078 1.0623 -4.7339 3 749.6364531 89502 303882465 872364 a-Alanine, conf. I
470235.5417 1.4520 -5.1337 3 814.3514609 89502 303A1 596 A0 595 a-Alanine, conf. I
470235.5417 1.4520 -4.5255 3 814.3514609 89502 303A1 596 A0 695 a-Alanine, conf. I
470235.5417 1.4520 -4.5255 3 814.3514609 89502 303A1 696 A0 595 a-Alanine, conf. I
470235.5417 1.4520 -5.1337 3 814.3514609 89502 303A1 696 A0 695 a-Alanine, conf. I
470237.6617 7.1642 -4.8873 3 348.2277357 89502 303592138 582039 a-Alanine, conf. I
470269.1334 2.5938 -5.2032 3 770.4728513 89502 303853947 843946 a-Alanine, conf. I
470269.1400 2.5938 -5.2032 3 770.4728513 89502 303853946 843945 a-Alanine, conf. I
470362.8556 0.6509 -5.3202 3 203.0961291 89502 30348 939 47 840 a-Alanine, conf. I
470362.8561 0.6509 -5.3202 3 203.0961291 89502 303481039 47 740 a-Alanine, conf. I
470386.7800 0.2557 -5.1346 3 380.6455345 89502 303573522 563422 a-Alanine, conf. I
470386.7800 0.2557 -4.0868 3 380.6455345 89502 303573522 563423 a-Alanine, conf. I
470386.7800 0.2557 -4.0868 3 380.6455345 89502 303573523 563422 a-Alanine, conf. I
470386.7800 0.2557 -5.1346 3 380.6455345 89502 303573523 563423 a-Alanine, conf. I
470416.9214 0.6561 -5.3042 3 496.8884423 89502 303702644 692544 a-Alanine, conf. I
470492.4515 1.8477 -5.4108 3 844.0574519 89502 303864838 854837 a-Alanine, conf. I
470492.4515 1.8477 -5.4108 3 844.0574519 89502 303864839 854838 a-Alanine, conf. I
470496.2140 2.4262 -5.2696 3 450.7671405 89502 303672444 662344 a-Alanine, conf. I
470551.5928 1.6940 -5.2735 3 408.6323393 89502 303651847 641747 a-Alanine, conf. I
470554.4145 1.6927 -5.2735 3 408.6323393 89502 303651947 641847 a-Alanine, conf. I
470567.7653 1.0745 -5.1227 3 772.4476549 89502 303911972 901971 a-Alanine, conf. I
470567.7653 1.0745 -4.6679 3 772.4476549 89502 303911972 902071 a-Alanine, conf. I
470567.7653 1.0745 -4.6679 3 772.4476549 89502 303912072 901971 a-Alanine, conf. I
470567.7653 1.0745 -5.1227 3 772.4476549 89502 303912072 902071 a-Alanine, conf. I
470612.4893 0.7349 -5.4103 3 344.3795381 89502 30363 954 62 854 a-Alanine, conf. I
470612.4893 0.7349 -5.4103 3 344.3795381 89502 303631054 62 954 a-Alanine, conf. I
470636.3479 0.5777 -5.5175 3 187.3974285 89502 30347 740 46 641 a-Alanine, conf. I
470636.3479 0.5777 -5.5175 3 187.3974285 89502 30347 840 46 541 a-Alanine, conf. I
470683.1997 1.0375 -5.1395 3 799.0644579 89502 303961284 951283 a-Alanine, conf. I
470683.1997 1.0375 -4.5897 3 799.0644579 89502 303961284 951383 a-Alanine, conf. I
470683.1997 1.0375 -4.5897 3 799.0644579 89502 303961384 951283 a-Alanine, conf. I
470683.1997 1.0375 -5.1395 3 799.0644579 89502 303961384 951383 a-Alanine, conf. I
470691.5861 0.2004 -5.0615 3 360.1243303 89502 3035043 7 4942 7 a-Alanine, conf. I
470691.5861 0.2004 -3.9225 3 360.1243303 89502 3035043 7 4942 8 a-Alanine, conf. I
470691.5861 0.2004 -3.9225 3 360.1243303 89502 3035043 8 4942 7 a-Alanine, conf. I
470691.5861 0.2004 -5.0615 3 360.1243303 89502 3035043 8 4942 8 a-Alanine, conf. I
470711.6926 3.3840 -5.0969 3 729.7344507 89502 303843451 833450 a-Alanine, conf. I
470764.8824 7.0599 -4.7393 3 414.1193387 89502 303642440 632341 a-Alanine, conf. I
470817.9366 2.8646 -4.9534 3 665.7065489 89502 303812952 802951 a-Alanine, conf. I
470834.7172 3.5087 -5.0967 3 729.7386507 89502 303843450 833449 a-Alanine, conf. I
470850.9145 0.2727 -5.1461 3 385.9877351 89502 303583424 573324 a-Alanine, conf. I
470850.9145 0.2727 -4.1160 3 385.9877351 89502 303583424 573325 a-Alanine, conf. I
470850.9145 0.2727 -4.1160 3 385.9877351 89502 303583425 573324 a-Alanine, conf. I
470850.9145 0.2727 -5.1461 3 385.9877351 89502 303583425 573325 a-Alanine, conf. I
470917.2261 1.9232 -5.3870 3 836.8824519 89502 303864739 854738 a-Alanine, conf. I
470917.2261 1.9232 -5.3870 3 836.8824519 89502 303864740 854739 a-Alanine, conf. I
470953.6644 2.1015 -4.5664 3 444.3781399 89502 303662640 652541 a-Alanine, conf. I
471089.3574 0.3561 -4.3148 3 418.8554381 89502 303632935 622834 a-Alanine, conf. I
471090.2810 0.3563 -5.2091 3 418.8554381 89502 303632934 622834 a-Alanine, conf. I
471090.7172 1.0482 -5.3087 3 379.9206387 89502 303641450 631350 a-Alanine, conf. I
471090.7175 1.0482 -5.3087 3 379.9206387 89502 303641550 631450 a-Alanine, conf. I
471093.2096 0.3568 -5.2091 3 418.8553381 89502 303632935 622835 a-Alanine, conf. I
471094.1332 0.3569 -4.3147 3 418.8553381 89502 303632934 622835 a-Alanine, conf. I
471124.0055 2.4649 -5.1257 3 825.0020633 89502 303A5 0A5 A4 0A4 a-Alanine, conf. I
471124.0055 2.4649 -4.4880 3 825.0020633 89502 303A5 0A5 A4 1A4 a-Alanine, conf. I
471124.0055 2.4649 -4.4880 3 825.0020633 89502 303A5 1A5 A4 0A4 a-Alanine, conf. I
471124.0055 2.4649 -5.1257 3 825.0020633 89502 303A5 1A5 A4 1A4 a-Alanine, conf. I
471173.0888 1.1576 -5.1416 3 811.4131597 89502 30399 891 98 890 a-Alanine, conf. I
471173.0888 1.1576 -4.5554 3 811.4131597 89502 30399 891 98 990 a-Alanine, conf. I
471173.0888 1.1576 -4.5554 3 811.4131597 89502 30399 991 98 890 a-Alanine, conf. I
471173.0888 1.1576 -5.1416 3 811.4131597 89502 30399 991 98 990 a-Alanine, conf. I
471202.9327 0.8325 -4.4891 3 447.5992399 89502 303662740 652639 a-Alanine, conf. I
471232.0201 0.2905 -5.1579 3 391.7218357 89502 303593326 583226 a-Alanine, conf. I
471232.0201 0.2905 -4.1477 3 391.7218357 89502 303593326 583227 a-Alanine, conf. I
471232.0201 0.2905 -4.1477 3 391.7218357 89502 303593327 583226 a-Alanine, conf. I
471232.0201 0.2905 -5.1579 3 391.7218357 89502 303593327 583227 a-Alanine, conf. I
471238.4989 2.7387 -5.1841 3 764.9994513 89502 303853848 843847 a-Alanine, conf. I
471238.5660 2.7388 -5.1841 3 764.9994513 89502 303853847 843846 a-Alanine, conf. I
471250.3390 1.7180 -5.0094 3 694.5006501 89502 303832855 822854 a-Alanine, conf. I
471284.0689 1.0560 -5.1380 3 791.2965567 89502 303941579 931578 a-Alanine, conf. I
471284.0689 1.0560 -4.6225 3 791.2965567 89502 303941579 931678 a-Alanine, conf. I
471284.0689 1.0560 -4.6225 3 791.2965567 89502 303941679 931578 a-Alanine, conf. I
471284.0689 1.0560 -5.1380 3 791.2965567 89502 303941679 931678 a-Alanine, conf. I
471332.2364 1.0752 -4.7177 3 759.6421537 89502 303892267 882366 a-Alanine, conf. I
471332.2368 1.0752 -5.1098 3 759.6421537 89502 303892367 882366 a-Alanine, conf. I
471332.2372 1.0752 -5.1098 3 759.6421537 89502 303892267 882266 a-Alanine, conf. I
471332.2375 1.0752 -4.7177 3 759.6421537 89502 303892367 882266 a-Alanine, conf. I
471343.5244 1.6164 -5.1370 3 820.0773615 89502 303A2 498 A1 497 a-Alanine, conf. I
471343.5244 1.6164 -4.5222 3 820.0773615 89502 303A2 498 A1 597 a-Alanine, conf. I
471343.5244 1.6164 -4.5222 3 820.0773615 89502 303A2 598 A1 497 a-Alanine, conf. I
471343.5244 1.6164 -5.1370 3 820.0773615 89502 303A2 598 A1 597 a-Alanine, conf. I
471375.4898 1.1644 -4.8678 3 722.1542513 89502 303852758 842857 a-Alanine, conf. I
471377.2880 2.0029 -5.3638 3 829.8857519 89502 303864640 854639 a-Alanine, conf. I
471377.2880 2.0029 -5.3638 3 829.8857519 89502 303864641 854640 a-Alanine, conf. I
471390.3682 0.1915 -5.0704 3 362.7330309 89502 3035142 9 5041 9 a-Alanine, conf. I
471390.3682 0.1915 -3.9404 3 362.7330309 89502 3035142 9 504110 a-Alanine, conf. I
471390.3682 0.1915 -3.9404 3 362.7330309 89502 303514210 5041 9 a-Alanine, conf. I
471390.3682 0.1915 -5.0704 3 362.7330309 89502 303514210 504110 a-Alanine, conf. I
471450.0954 1.1525 -5.0385 3 710.4464507 89502 303842956 832955 a-Alanine, conf. I
471501.4532 0.3091 -5.1701 3 397.8589363 89502 303603228 593128 a-Alanine, conf. I
471501.4532 0.3091 -4.1825 3 397.8589363 89502 303603229 593128 a-Alanine, conf. I
471501.4533 0.3091 -4.1825 3 397.8589363 89502 303603228 593129 a-Alanine, conf. I
471501.4533 0.3091 -5.1701 3 397.8589363 89502 303603229 593129 a-Alanine, conf. I
471515.7680 0.3446 -4.2645 3 411.4033375 89502 303623033 612932 a-Alanine, conf. I
471515.8014 0.3446 -5.1956 3 411.4033375 89502 303623032 612932 a-Alanine, conf. I
471515.9213 0.3446 -5.1956 3 411.4033375 89502 303623033 612933 a-Alanine, conf. I
471515.9547 0.3446 -4.2645 3 411.4033375 89502 303623032 612933 a-Alanine, conf. I
471568.3936 7.2230 -4.7346 3 512.5798429 89502 303712745 702644 a-Alanine, conf. I
471582.5193 10.7604 -4.8859 3 600.3014465 89502 303772850 762749 a-Alanine, conf. I
471617.4049 0.3276 -4.2211 3 404.4131369 89502 303613131 603030 a-Alanine, conf. I
471617.4059 0.3276 -5.1826 3 404.4131369 89502 303613130 603030 a-Alanine, conf. I
471617.4097 0.3276 -5.1826 3 404.4131369 89502 303613131 603031 a-Alanine, conf. I
471617.4106 0.3276 -4.2211 3 404.4131369 89502 303613130 603031 a-Alanine, conf. I
471759.6721 3.4200 -5.2757 3 447.4606405 89502 303672245 662145 a-Alanine, conf. I
471777.3438 1.0316 -5.0569 3 722.1542513 89502 303852858 842857 a-Alanine, conf. I
471789.8185 0.7632 -5.4447 3 339.0065381 89502 30363 855 62 755 a-Alanine, conf. I
471789.8185 0.7632 -5.4447 3 339.0065381 89502 30363 955 62 855 a-Alanine, conf. I
471817.1434 2.8058 -5.3186 3 262.6792309 89502 303512131 501832 a-Alanine, conf. I
471843.2451 0.5631 -5.2512 3 447.5992399 89502 303662739 652639 a-Alanine, conf. I
471849.4748 1.0804 -5.1322 3 781.4298555 89502 303921874 911873 a-Alanine, conf. I
471849.4748 1.0804 -4.6595 3 781.4298555 89502 303921874 911973 a-Alanine, conf. I
471849.4748 1.0804 -4.6595 3 781.4298555 89502 303921974 911873 a-Alanine, conf. I
471849.4748 1.0804 -5.1322 3 781.4298555 89502 303921974 911973 a-Alanine, conf. I
471853.4614 5.0366 -5.3079 3 494.7424423 89502 303702545 692445 a-Alanine, conf. I
471877.0342 2.0872 -5.3413 3 823.0699519 89502 303864541 854540 a-Alanine, conf. I
471877.0342 2.0872 -5.3413 3 823.0699519 89502 303864542 854541 a-Alanine, conf. I
471939.1426 1.0537 -5.1456 3 806.4081585 89502 303971186 961185 a-Alanine, conf. I
471939.1426 1.0537 -4.5856 3 806.4081585 89502 303971186 961285 a-Alanine, conf. I
471939.1426 1.0537 -4.5856 3 806.4081585 89502 303971286 961185 a-Alanine, conf. I
471939.1426 1.0537 -5.1456 3 806.4081585 89502 303971286 961285 a-Alanine, conf. I
471960.7942 2.0755 -4.9074 3 300.4273333 89502 303552036 541737 a-Alanine, conf. I
472057.3735 1.0521 -4.8215 3 733.4607519 89502 303862660 852759 a-Alanine, conf. I
472077.3401 0.1914 -5.0797 3 365.6951315 89502 303524111 514011 a-Alanine, conf. I
472077.3401 0.1914 -3.9593 3 365.6951315 89502 303524111 514012 a-Alanine, conf. I
472077.3401 0.1914 -3.9593 3 365.6951315 89502 303524112 514011 a-Alanine, conf. I
472077.3401 0.1914 -5.0797 3 365.6951315 89502 303524112 514012 a-Alanine, conf. I
472087.4588 1.0476 -5.0741 3 733.4607519 89502 303862760 852759 a-Alanine, conf. I
472114.8320 1.0206 -5.0561 3 722.1295513 89502 303852758 842757 a-Alanine, conf. I
472116.0839 1.0448 -5.0741 3 733.4588519 89502 303862660 852659 a-Alanine, conf. I
472146.1691 1.0422 -4.8214 3 733.4588519 89502 303862760 852659 a-Alanine, conf. I
472165.4038 0.4491 -4.9699 3 303.0193333 89502 303552135 541836 a-Alanine, conf. I
472345.9088 2.9067 -5.1654 3 759.7453513 89502 303853749 843748 a-Alanine, conf. I
472346.5230 2.9074 -5.1654 3 759.7453513 89502 303853748 843747 a-Alanine, conf. I
472351.7675 1.2458 -5.1461 3 817.8420603 89502 303A0 793 99 792 a-Alanine, conf. I
472351.7675 1.2458 -4.5520 3 817.8420603 89502 303A0 793 99 892 a-Alanine, conf. I
472351.7675 1.2458 -4.5520 3 817.8420603 89502 303A0 893 99 792 a-Alanine, conf. I
472351.7675 1.2458 -5.1461 3 817.8420603 89502 303A0 893 99 892 a-Alanine, conf. I
472357.7521 0.8357 -5.2636 3 456.8471405 89502 303672642 662542 a-Alanine, conf. I
472421.7212 2.1768 -5.3193 3 816.4376519 89502 303864442 854441 a-Alanine, conf. I
472421.7212 2.1768 -5.3193 3 816.4376519 89502 303864443 854442 a-Alanine, conf. I
472423.1602 1.8076 -5.1399 3 825.5787621 89502 303A3 3A0 A2 399 a-Alanine, conf. I
472423.1602 1.8076 -4.5188 3 825.5787621 89502 303A3 3A0 A2 499 a-Alanine, conf. I
472423.1602 1.8076 -4.5188 3 825.5787621 89502 303A3 4A0 A2 399 a-Alanine, conf. I
472423.1602 1.8076 -5.1399 3 825.5787621 89502 303A3 4A0 A2 499 a-Alanine, conf. I
472516.6860 1.1234 -4.8655 3 722.1295513 89502 303852858 842757 a-Alanine, conf. I
472518.0643 5.6406 -5.3005 3 478.9808417 89502 303692445 682345 a-Alanine, conf. I
472518.2360 1.0871 -5.1212 3 769.3881543 89502 303902169 892168 a-Alanine, conf. I
472518.2360 1.0871 -4.7045 3 769.3881543 89502 303902169 892268 a-Alanine, conf. I
472518.2360 1.0871 -4.7045 3 769.3881543 89502 303902269 892168 a-Alanine, conf. I
472518.2360 1.0871 -5.1212 3 769.3881543 89502 303902269 892268 a-Alanine, conf. I
472561.1265 4.5798 -4.9103 3 310.6253339 89502 303561937 551838 a-Alanine, conf. I
472574.4869 1.0565 -5.1456 3 799.3383573 89502 303951481 941480 a-Alanine, conf. I
472574.4869 1.0565 -4.6172 3 799.3383573 89502 303951481 941580 a-Alanine, conf. I
472574.4869 1.0565 -4.6172 3 799.3383573 89502 303951581 941480 a-Alanine, conf. I
472574.4869 1.0565 -5.1456 3 799.3383573 89502 303951581 941580 a-Alanine, conf. I
472621.0826 2.2191 -5.2704 3 428.1946399 89502 303662046 651946 a-Alanine, conf. I
472636.1063 3.5890 -5.0793 3 725.4483507 89502 303843352 833351 a-Alanine, conf. I
472715.8339 2.1746 -5.2703 3 428.1956399 89502 303662146 652046 a-Alanine, conf. I
472720.2013 1.0660 -4.7898 3 744.3962525 89502 303872562 862661 a-Alanine, conf. I
472722.0114 1.0658 -5.0897 3 744.3962525 89502 303872662 862661 a-Alanine, conf. I
472723.9012 1.0656 -5.0897 3 744.3961525 89502 303872562 862561 a-Alanine, conf. I
472725.7113 1.0655 -4.7898 3 744.3961525 89502 303872662 862561 a-Alanine, conf. I
472730.8374 0.9419 -5.3245 3 375.1905387 89502 303641351 631251 a-Alanine, conf. I
472730.8374 0.9419 -5.3245 3 375.1905387 89502 303641451 631351 a-Alanine, conf. I
472749.2763 0.1981 -5.0893 3 369.0133321 89502 303534013 523913 a-Alanine, conf. I
472749.2763 0.1981 -3.9793 3 369.0133321 89502 303534013 523914 a-Alanine, conf. I
472749.2763 0.1981 -3.9793 3 369.0133321 89502 303534014 523913 a-Alanine, conf. I
472749.2763 0.1981 -5.0893 3 369.0133321 89502 303534014 523914 a-Alanine, conf. I
472903.7955 0.8179 -5.4857 3 333.4920381 89502 30363 756 62 656 a-Alanine, conf. I
472903.7955 0.8179 -5.4857 3 333.4920381 89502 30363 856 62 756 a-Alanine, conf. I
472946.2260 1.5067 -5.2819 3 404.4793393 89502 303651748 641648 a-Alanine, conf. I
472946.5049 1.5066 -5.2819 3 404.4793393 89502 303651848 641748 a-Alanine, conf. I
473017.7130 2.2726 -5.2979 3 809.9918519 89502 303864343 854342 a-Alanine, conf. I
473017.7130 2.2726 -5.2979 3 809.9918519 89502 303864344 854343 a-Alanine, conf. I
473142.2873 1.0839 -5.1412 3 790.1832561 89502 303931776 921775 a-Alanine, conf. I
473142.2873 1.0839 -4.6522 3 790.1832561 89502 303931776 921875 a-Alanine, conf. I
473142.2873 1.0839 -4.6522 3 790.1832561 89502 303931876 921775 a-Alanine, conf. I
473142.2873 1.0839 -5.1412 3 790.1832561 89502 303931876 921875 a-Alanine, conf. I
473176.9647 1.0827 -5.1514 3 813.5339591 89502 303981088 971087 a-Alanine, conf. I
473176.9647 1.0827 -4.5818 3 813.5339591 89502 303981088 971187 a-Alanine, conf. I
473176.9647 1.0827 -4.5818 3 813.5339591 89502 303981188 971087 a-Alanine, conf. I
473176.9647 1.0827 -5.1514 3 813.5339591 89502 303981188 971187 a-Alanine, conf. I
473191.0669 0.3972 -5.2489 3 447.5329399 89502 303662740 652640 a-Alanine, conf. I
473192.6361 4.5730 -5.2877 3 463.1968411 89502 303682345 672245 a-Alanine, conf. I
473230.5414 0.3237 -5.0356 3 361.5133285 89502 3034747 0 4646 0 a-Alanine, conf. I
473230.5414 0.3237 -3.8697 3 361.5133285 89502 3034747 0 4646 1 a-Alanine, conf. I
473230.5414 0.3237 -3.8697 3 361.5133285 89502 3034747 1 4646 0 a-Alanine, conf. I
473230.5414 0.3237 -5.0356 3 361.5133285 89502 3034747 1 4646 1 a-Alanine, conf. I
473255.9443 1.7194 -4.9856 3 259.0982315 89502 303521537 511438 a-Alanine, conf. I
473333.8395 4.2235 -5.0780 3 725.4754507 89502 303843351 833350 a-Alanine, conf. I
473334.6344 1.7006 -4.9855 3 259.0982315 89502 303521637 511338 a-Alanine, conf. I
473402.0421 0.2091 -5.0993 3 372.6906327 89502 303543915 533815 a-Alanine, conf. I
473402.0421 0.2091 -4.0006 3 372.6906327 89502 303543915 533816 a-Alanine, conf. I
473402.0421 0.2091 -4.0006 3 372.6906327 89502 303543916 533815 a-Alanine, conf. I
473402.0421 0.2091 -5.0993 3 372.6906327 89502 303543916 533816 a-Alanine, conf. I
473429.0881 2.6856 -4.9414 3 726.1723513 89502 303852857 842956 a-Alanine, conf. I
473473.3802 2.0252 -5.1425 3 830.8539627 89502 303A4 2A2 A3 2A1 a-Alanine, conf. I
473473.3802 2.0252 -4.5155 3 830.8539627 89502 303A4 2A2 A3 3A1 a-Alanine, conf. I
473473.3802 2.0252 -4.5155 3 830.8539627 89502 303A4 3A2 A3 2A1 a-Alanine, conf. I
473473.3802 2.0252 -5.1425 3 830.8539627 89502 303A4 3A2 A3 3A1 a-Alanine, conf. I
473505.5364 1.3601 -5.1503 3 824.0504609 89502 303A1 695 A0 694 a-Alanine, conf. I
473505.5364 1.3601 -4.5487 3 824.0504609 89502 303A1 695 A0 794 a-Alanine, conf. I
473505.5364 1.3601 -4.5487 3 824.0504609 89502 303A1 795 A0 694 a-Alanine, conf. I
473505.5364 1.3601 -5.1503 3 824.0504609 89502 303A1 795 A0 794 a-Alanine, conf. I
473525.1417 1.0540 -5.1186 3 230.8742303 89502 303501238 491139 a-Alanine, conf. I
473525.4654 1.0540 -5.1186 3 230.8742303 89502 303501338 491039 a-Alanine, conf. I
473598.0580 1.0808 -4.7659 3 755.0058531 89502 303882464 872563 a-Alanine, conf. I
473598.1482 1.0808 -5.1039 3 755.0058531 89502 303882564 872563 a-Alanine, conf. I
473598.2499 1.0808 -5.1039 3 755.0058531 89502 303882464 872463 a-Alanine, conf. I
473598.3401 1.0808 -4.7659 3 755.0058531 89502 303882564 872463 a-Alanine, conf. I
473629.9956 3.1067 -5.1471 3 754.7222513 89502 303853650 843649 a-Alanine, conf. I
473635.0393 3.1127 -5.1471 3 754.7223513 89502 303853649 843648 a-Alanine, conf. I
473654.7211 2.6300 -5.2725 3 447.4897405 89502 303672345 662245 a-Alanine, conf. I
473672.8297 2.3757 -5.2771 3 803.7364519 89502 303864244 854243 a-Alanine, conf. I
473672.8297 2.3757 -5.2771 3 803.7364519 89502 303864245 854244 a-Alanine, conf. I
473752.2749 1.0974 -5.1320 3 778.8858549 89502 303912071 902070 a-Alanine, conf. I
473752.2749 1.0974 -4.6935 3 778.8858549 89502 303912071 902170 a-Alanine, conf. I
473752.2749 1.0974 -4.6935 3 778.8858549 89502 303912171 902070 a-Alanine, conf. I
473752.2749 1.0974 -5.1320 3 778.8858549 89502 303912171 902170 a-Alanine, conf. I
473831.3793 0.5909 -4.4852 3 447.5329399 89502 303662739 652640 a-Alanine, conf. I
473854.8016 1.0595 -5.1527 3 807.1608579 89502 303961383 951382 a-Alanine, conf. I
473854.8016 1.0595 -4.6126 3 807.1608579 89502 303961383 951482 a-Alanine, conf. I
473854.8016 1.0595 -4.6126 3 807.1608579 89502 303961483 951382 a-Alanine, conf. I
473854.8016 1.0595 -5.1527 3 807.1608579 89502 303961483 951482 a-Alanine, conf. I
473953.6395 0.2780 -5.0432 3 362.9131291 89502 3034846 2 4745 2 a-Alanine, conf. I
473953.6395 0.2780 -3.8843 3 362.9131291 89502 3034846 2 4745 3 a-Alanine, conf. I
473953.6395 0.2780 -3.8843 3 362.9131291 89502 3034846 3 4745 2 a-Alanine, conf. I
473953.6395 0.2780 -5.0432 3 362.9131291 89502 3034846 3 4745 3 a-Alanine, conf. I
473961.3201 0.8938 -5.5355 3 327.8379381 89502 30363 657 62 557 a-Alanine, conf. I
473961.3201 0.8938 -5.5355 3 327.8379381 89502 30363 757 62 657 a-Alanine, conf. I
474027.3140 1.5575 -5.5785 3 906.3841525 89502 303875433 865432 a-Alanine, conf. I
474027.3140 1.5575 -5.5785 3 906.3841525 89502 303875434 865433 a-Alanine, conf. I
474030.3089 0.2226 -5.1096 3 376.7307333 89502 303553817 543717 a-Alanine, conf. I
474030.3089 0.2226 -4.0233 3 376.7307333 89502 303553817 543718 a-Alanine, conf. I
474030.3089 0.2226 -4.0233 3 376.7307333 89502 303553818 543717 a-Alanine, conf. I
474030.3089 0.2226 -5.1096 3 376.7307333 89502 303553818 543718 a-Alanine, conf. I
474107.1878 1.4262 -4.5283 3 460.0874405 89502 303672741 662640 a-Alanine, conf. I
474199.8581 1.5026 -5.0322 3 710.2198507 89502 303842856 832855 a-Alanine, conf. I
474248.6001 0.8576 -5.3428 3 370.3040387 89502 303641252 631152 a-Alanine, conf. I
474248.6001 0.8576 -5.3428 3 370.3040387 89502 303641352 631252 a-Alanine, conf. I
474282.9056 13.7514 -5.1772 3 765.8352525 89502 303873057 863156 a-Alanine, conf. I
474313.0883 1.6145 -5.5510 3 898.1830525 89502 303875334 865333 a-Alanine, conf. I
474313.0883 1.6145 -5.5510 3 898.1830525 89502 303875335 865334 a-Alanine, conf. I
474381.6453 1.7798 -5.0415 3 714.1157507 89502 303843055 833054 a-Alanine, conf. I
474394.5254 1.1290 -5.1568 3 820.4414597 89502 30399 990 98 989 a-Alanine, conf. I
474394.5254 1.1290 -4.5783 3 820.4414597 89502 30399 990 981089 a-Alanine, conf. I
474394.5254 1.1290 -4.5783 3 820.4414597 89502 303991090 98 989 a-Alanine, conf. I
474394.5254 1.1290 -5.1568 3 820.4414597 89502 303991090 981089 a-Alanine, conf. I
474396.8514 2.4877 -5.2567 3 797.6755519 89502 303864146 854145 a-Alanine, conf. I
474396.8516 2.4877 -5.2567 3 797.6755519 89502 303864145 854144 a-Alanine, conf. I
474438.6804 1.0852 -5.1497 3 798.7113567 89502 303941678 931677 a-Alanine, conf. I
474438.6804 1.0852 -4.6459 3 798.7113567 89502 303941678 931777 a-Alanine, conf. I
474438.6804 1.0852 -4.6459 3 798.7113567 89502 303941778 931677 a-Alanine, conf. I
474438.6804 1.0852 -5.1497 3 798.7113567 89502 303941778 931777 a-Alanine, conf. I
474492.4431 3.4896 -5.0627 3 721.4551507 89502 303843253 833252 a-Alanine, conf. I
474493.1909 2.2686 -5.1447 3 835.9007633 89502 303A5 1A4 A4 1A3 a-Alanine, conf. I
474493.1909 2.2686 -4.5121 3 835.9007633 89502 303A5 1A4 A4 2A3 a-Alanine, conf. I
474493.1909 2.2686 -4.5121 3 835.9007633 89502 303A5 2A4 A4 1A3 a-Alanine, conf. I
474493.1909 2.2686 -5.1447 3 835.9007633 89502 303A5 2A4 A4 2A3 a-Alanine, conf. I
474619.0609 1.6751 -5.5242 3 890.1517525 89502 303875235 865234 a-Alanine, conf. I
474619.0609 1.6751 -5.5242 3 890.1517525 89502 303875236 865235 a-Alanine, conf. I
474627.1589 0.2377 -5.1203 3 381.1379339 89502 303563719 553619 a-Alanine, conf. I
474627.1589 0.2377 -4.0475 3 381.1379339 89502 303563719 553620 a-Alanine, conf. I
474627.1589 0.2377 -4.0475 3 381.1379339 89502 303563720 553619 a-Alanine, conf. I
474627.1589 0.2377 -5.1203 3 381.1379339 89502 303563720 553620 a-Alanine, conf. I
474628.7850 1.0945 -4.7473 3 765.3212537 89502 303892366 882465 a-Alanine, conf. I
474628.7888 1.0945 -5.1170 3 765.3212537 89502 303892466 882465 a-Alanine, conf. I
474628.7933 1.0945 -5.1170 3 765.3212537 89502 303892366 882365 a-Alanine, conf. I
474628.7971 1.0945 -4.7473 3 765.3212537 89502 303892466 882365 a-Alanine, conf. I
474633.0283 1.5016 -5.1541 3 830.0368615 89502 303A2 597 A1 596 a-Alanine, conf. I
474633.0283 1.5016 -4.5455 3 830.0368615 89502 303A2 597 A1 696 a-Alanine, conf. I
474633.0283 1.5016 -4.5455 3 830.0368615 89502 303A2 697 A1 596 a-Alanine, conf. I
474633.0283 1.5016 -5.1541 3 830.0368615 89502 303A2 697 A1 696 a-Alanine, conf. I
474671.6166 0.2420 -5.0512 3 364.6595297 89502 3034945 4 4844 4 a-Alanine, conf. I
474671.6166 0.2420 -3.8997 3 364.6595297 89502 3034945 4 4844 5 a-Alanine, conf. I
474671.6166 0.2420 -3.8997 3 364.6595297 89502 3034945 5 4844 4 a-Alanine, conf. I
474671.6166 0.2420 -5.0512 3 364.6595297 89502 3034945 5 4844 5 a-Alanine, conf. I
474729.9123 0.3636 -4.4017 3 438.7755393 89502 303652838 642737 a-Alanine, conf. I
474773.1901 0.3650 -5.2338 3 438.7755393 89502 303652837 642737 a-Alanine, conf. I
474885.9515 0.3739 -5.2336 3 438.7703393 89502 303652838 642738 a-Alanine, conf. I
474892.7913 5.4749 -4.6791 3 499.0616423 89502 303702744 692643 a-Alanine, conf. I
474910.4929 5.5950 -4.9824 3 683.8177495 89502 303823052 813051 a-Alanine, conf. I
474929.2293 0.3803 -4.4013 3 438.7703393 89502 303652837 642738 a-Alanine, conf. I
474947.1450 1.7394 -5.4981 3 882.2915525 89502 303875136 865135 a-Alanine, conf. I
474947.1450 1.7394 -5.4981 3 882.2915525 89502 303875137 865136 a-Alanine, conf. I
474968.2402 0.9858 -5.5974 3 322.0457381 89502 30363 558 62 458 a-Alanine, conf. I
474968.2402 0.9858 -5.5974 3 322.0457381 89502 30363 658 62 558 a-Alanine, conf. I
475017.2046 1.1055 -5.1422 3 788.1440555 89502 303921973 911972 a-Alanine, conf. I
475017.2046 1.1055 -4.6843 3 788.1440555 89502 303921973 912072 a-Alanine, conf. I
475017.2046 1.1055 -4.6843 3 788.1440555 89502 303922073 911972 a-Alanine, conf. I
475017.2046 1.1055 -5.1422 3 788.1440555 89502 303922073 912072 a-Alanine, conf. I
475077.3689 1.3432 -5.2919 3 400.1436393 89502 303651649 641549 a-Alanine, conf. I
475077.3929 1.3432 -5.2919 3 400.1436393 89502 303651749 641649 a-Alanine, conf. I
475121.6783 1.0679 -5.1594 3 814.7647585 89502 303971285 961284 a-Alanine, conf. I
475121.6783 1.0679 -4.6084 3 814.7647585 89502 303971285 961384 a-Alanine, conf. I
475121.6783 1.0679 -4.6084 3 814.7647585 89502 303971385 961284 a-Alanine, conf. I
475121.6783 1.0679 -5.1594 3 814.7647585 89502 303971385 961384 a-Alanine, conf. I
475142.6979 3.3469 -5.1290 3 749.9456513 89502 303853551 843550 a-Alanine, conf. I
475179.3926 3.3875 -5.1290 3 749.9468513 89502 303853550 843549 a-Alanine, conf. I
475183.5219 0.2538 -5.1313 3 385.9173345 89502 303573621 563521 a-Alanine, conf. I
475183.5219 0.2538 -4.0733 3 385.9173345 89502 303573621 563522 a-Alanine, conf. I
475183.5219 0.2538 -4.0733 3 385.9173345 89502 303573622 563521 a-Alanine, conf. I
475183.5219 0.2538 -5.1313 3 385.9173345 89502 303573622 563522 a-Alanine, conf. I
475202.2711 2.6110 -5.2369 3 791.8143519 89502 303864047 854046 a-Alanine, conf. I
475202.2725 2.6110 -5.2369 3 791.8143519 89502 303864046 854045 a-Alanine, conf. I
475298.1756 0.7645 -5.2457 3 215.0199297 89502 303491039 48 940 a-Alanine, conf. I
475298.1791 0.7645 -5.2457 3 215.0199297 89502 303491139 48 840 a-Alanine, conf. I
475299.5225 1.8073 -5.4727 3 874.6037525 89502 303875037 865036 a-Alanine, conf. I
475299.5225 1.8073 -5.4727 3 874.6037525 89502 303875038 865037 a-Alanine, conf. I
475349.6525 0.8435 -5.2640 3 460.0874405 89502 303672740 662640 a-Alanine, conf. I
475383.1345 0.2164 -5.0595 3 366.7541303 89502 3035044 6 4943 6 a-Alanine, conf. I
475383.1345 0.2164 -3.9160 3 366.7541303 89502 3035044 6 4943 7 a-Alanine, conf. I
475383.1345 0.2164 -3.9160 3 366.7541303 89502 3035044 7 4943 6 a-Alanine, conf. I
475383.1345 0.2164 -5.0595 3 366.7541303 89502 3035044 7 4943 7 a-Alanine, conf. I
475399.8669 2.7986 -5.0493 3 717.7204507 89502 303843154 833153 a-Alanine, conf. I
475481.6638 2.5371 -5.1465 3 840.7170639 89502 303A6 0A6 A5 0A5 a-Alanine, conf. I
475481.6638 2.5371 -4.5087 3 840.7170639 89502 303A6 0A6 A5 1A5 a-Alanine, conf. I
475481.6638 2.5371 -4.5087 3 840.7170639 89502 303A6 1A6 A5 0A5 a-Alanine, conf. I
475481.6638 2.5371 -5.1465 3 840.7170639 89502 303A6 1A6 A5 1A5 a-Alanine, conf. I
475589.9507 1.1965 -5.1619 3 827.1298603 89502 303A0 892 99 891 a-Alanine, conf. I
475589.9507 1.1965 -4.5750 3 827.1298603 89502 303A0 892 99 991 a-Alanine, conf. I
475589.9507 1.1965 -4.5750 3 827.1298603 89502 303A0 992 99 891 a-Alanine, conf. I
475589.9507 1.1965 -5.1619 3 827.1298603 89502 303A0 992 99 991 a-Alanine, conf. I
475595.7373 2.3608 -5.3155 3 510.4817429 89502 303712645 702545 a-Alanine, conf. I
475662.0439 0.7992 -5.3641 3 365.2652387 89502 303641153 631053 a-Alanine, conf. I
475662.0439 0.7992 -5.3641 3 365.2652387 89502 303641253 631153 a-Alanine, conf. I
475678.6976 1.8788 -5.4480 3 867.0897525 89502 303874938 864937 a-Alanine, conf. I
475678.6976 1.8788 -5.4480 3 867.0897525 89502 303874939 864938 a-Alanine, conf. I
475687.3521 0.2707 -5.1426 3 391.0752351 89502 303583523 573423 a-Alanine, conf. I
475687.3521 0.2707 -4.1011 3 391.0752351 89502 303583523 573424 a-Alanine, conf. I
475687.3521 0.2707 -4.1011 3 391.0752351 89502 303583524 573423 a-Alanine, conf. I
475687.3521 0.2707 -5.1426 3 391.0752351 89502 303583524 573424 a-Alanine, conf. I
475690.0075 2.0580 -4.9561 3 271.7154321 89502 303531637 521538 a-Alanine, conf. I
475732.7597 1.0854 -5.1579 3 807.0169573 89502 303951580 941579 a-Alanine, conf. I
475732.7597 1.0854 -4.6404 3 807.0169573 89502 303951580 941679 a-Alanine, conf. I
475732.7597 1.0854 -4.6404 3 807.0169573 89502 303951680 941579 a-Alanine, conf. I
475732.7597 1.0854 -5.1579 3 807.0169573 89502 303951680 941679 a-Alanine, conf. I
475732.9987 1.6704 -5.1575 3 835.7996621 89502 303A3 499 A2 498 a-Alanine, conf. I
475732.9987 1.6704 -4.5424 3 835.7996621 89502 303A3 499 A2 598 a-Alanine, conf. I
475732.9987 1.6704 -4.5424 3 835.7996621 89502 303A3 599 A2 498 a-Alanine, conf. I
475732.9987 1.6704 -5.1575 3 835.7996621 89502 303A3 599 A2 598 a-Alanine, conf. I
475734.6042 1.4818 -4.9722 3 681.4113495 89502 303822953 812952 a-Alanine, conf. I
475744.2291 1.9377 -5.2758 3 424.3282399 89502 303661947 651847 a-Alanine, conf. I
475756.3133 1.9318 -5.2758 3 424.3283399 89502 303662047 651947 a-Alanine, conf. I
475759.6876 1.1073 -4.7322 3 775.3641543 89502 303902268 892367 a-Alanine, conf. I
475759.6877 1.1073 -5.1293 3 775.3641543 89502 303902368 892367 a-Alanine, conf. I
475759.6879 1.1073 -5.1293 3 775.3641543 89502 303902268 892267 a-Alanine, conf. I
475759.6880 1.1073 -4.7322 3 775.3641543 89502 303902368 892267 a-Alanine, conf. I
475769.6712 1.1090 -5.0582 3 726.1723513 89502 303852957 842956 a-Alanine, conf. I
475771.2064 1.1161 -4.8707 3 737.8910519 89502 303862759 852858 a-Alanine, conf. I
475941.7154 8.1152 -4.8697 3 373.3708369 89502 303612239 602140 a-Alanine, conf. I
475953.1759 2.3901 -4.5731 3 472.8192411 89502 303682742 672641 a-Alanine, conf. I
475978.7339 0.6086 -5.4141 3 199.1430291 89502 30348 840 47 741 a-Alanine, conf. I
475978.7339 0.6086 -5.4141 3 199.1430291 89502 30348 940 47 641 a-Alanine, conf. I
475981.1933 0.3694 -4.3374 3 430.5724387 89502 303642936 632835 a-Alanine, conf. I
475983.3787 0.3698 -5.2189 3 430.5724387 89502 303642935 632835 a-Alanine, conf. I
475986.3338 1.0617 -5.0768 3 737.8910519 89502 303862859 852858 a-Alanine, conf. I
475990.0383 0.3709 -5.2189 3 430.5721387 89502 303642936 632836 a-Alanine, conf. I
475992.2238 0.3713 -4.3374 3 430.5721387 89502 303642935 632836 a-Alanine, conf. I
475999.8067 1.9830 -4.9556 3 271.7151321 89502 303531737 521438 a-Alanine, conf. I
476086.4900 0.2017 -5.0683 3 369.1987309 89502 3035143 8 5042 8 a-Alanine, conf. I
476086.4900 0.2017 -3.9332 3 369.1987309 89502 3035143 8 5042 9 a-Alanine, conf. I
476086.4900 0.2017 -3.9332 3 369.1987309 89502 3035143 9 5042 8 a-Alanine, conf. I
476086.4900 0.2017 -5.0683 3 369.1987309 89502 3035143 9 5042 9 a-Alanine, conf. I
476087.5639 1.9542 -5.4239 3 859.7514525 89502 303874839 864838 a-Alanine, conf. I
476087.5639 1.9542 -5.4239 3 859.7514525 89502 303874840 864839 a-Alanine, conf. I
476105.4633 2.7489 -5.2175 3 786.1593519 89502 303863948 853947 a-Alanine, conf. I
476105.4787 2.7489 -5.2175 3 786.1593519 89502 303863947 853946 a-Alanine, conf. I
476122.3837 0.2884 -5.1543 3 396.6192357 89502 303593425 583325 a-Alanine, conf. I
476122.3837 0.2884 -4.1311 3 396.6192357 89502 303593425 583326 a-Alanine, conf. I
476122.3837 0.2884 -4.1311 3 396.6192357 89502 303593426 583325 a-Alanine, conf. I
476122.3837 0.2884 -5.1543 3 396.6192357 89502 303593426 583326 a-Alanine, conf. I
476173.0604 1.0500 -5.0764 3 737.8776519 89502 303862759 852758 a-Alanine, conf. I
476290.0033 6.5816 -5.0198 3 702.4329501 89502 303833152 823151 a-Alanine, conf. I
476300.6519 1.1111 -5.1519 3 797.1690561 89502 303931875 921874 a-Alanine, conf. I
476300.6519 1.1111 -4.6764 3 797.1690561 89502 303931875 921974 a-Alanine, conf. I
476300.6519 1.1111 -4.6764 3 797.1690561 89502 303931975 921874 a-Alanine, conf. I
476300.6519 1.1111 -5.1519 3 797.1690561 89502 303931975 921974 a-Alanine, conf. I
476324.8449 2.0953 -5.2774 3 466.4611411 89502 303682544 672444 a-Alanine, conf. I
476329.1727 3.7709 -4.6238 3 485.8076417 89502 303692743 682642 a-Alanine, conf. I
476354.6375 1.0832 -4.8296 3 749.2079525 89502 303872661 862760 a-Alanine, conf. I
476369.8877 1.0811 -5.0940 3 749.2079525 89502 303872761 862760 a-Alanine, conf. I
476372.3071 1.0856 -5.1657 3 822.1503591 89502 303981187 971186 a-Alanine, conf. I
476372.3071 1.0856 -4.6046 3 822.1503591 89502 303981187 971286 a-Alanine, conf. I
476372.3071 1.0856 -4.6046 3 822.1503591 89502 303981287 971186 a-Alanine, conf. I
476372.3071 1.0856 -5.1657 3 822.1503591 89502 303981287 971286 a-Alanine, conf. I
476384.7228 1.0795 -5.0939 3 749.2069525 89502 303872661 862660 a-Alanine, conf. I
476388.1878 1.0730 -4.8695 3 737.8776519 89502 303862859 852758 a-Alanine, conf. I
476399.9729 1.0779 -4.8296 3 749.2069525 89502 303872761 862660 a-Alanine, conf. I
476432.6555 2.8804 -5.4155 3 252.9453303 89502 303502130 491831 a-Alanine, conf. I
476466.1728 0.3069 -5.1664 3 402.5586363 89502 303603327 593227 a-Alanine, conf. I
476466.1728 0.3069 -4.1638 3 402.5586363 89502 303603327 593228 a-Alanine, conf. I
476466.1728 0.3069 -4.1638 3 402.5586363 89502 303603328 593227 a-Alanine, conf. I
476466.1728 0.3069 -5.1664 3 402.5586363 89502 303603328 593228 a-Alanine, conf. I
476529.4912 2.0336 -5.4004 3 852.5905525 89502 303874740 864739 a-Alanine, conf. I
476529.4912 2.0336 -5.4004 3 852.5905525 89502 303874741 864740 a-Alanine, conf. I
476539.6722 3.3174 -4.9176 3 297.4866333 89502 303551837 541738 a-Alanine, conf. I
476544.7172 0.3608 -4.2847 3 422.8875381 89502 303633034 622933 a-Alanine, conf. I
476544.8025 0.3608 -5.2050 3 422.8875381 89502 303633033 622933 a-Alanine, conf. I
476545.0982 0.3608 -5.2050 3 422.8875381 89502 303633034 622934 a-Alanine, conf. I
476545.1835 0.3608 -4.2847 3 422.8875381 89502 303633033 622934 a-Alanine, conf. I
476654.1794 1.3826 -5.5617 3 220.1968285 89502 303471928 461631 a-Alanine, conf. I
476686.8586 0.3260 -4.1996 3 408.9054369 89502 303613230 603129 a-Alanine, conf. I
476686.8587 0.3260 -5.1788 3 408.9054369 89502 303613229 603129 a-Alanine, conf. I
476686.8590 0.3260 -4.1996 3 408.9054369 89502 303613229 603130 a-Alanine, conf. I
476686.8590 0.3260 -5.1788 3 408.9054369 89502 303613230 603130 a-Alanine, conf. I
476737.4532 0.3446 -4.2395 3 415.6748375 89502 303623132 613031 a-Alanine, conf. I
476737.4558 0.3446 -5.1917 3 415.6748375 89502 303623131 613031 a-Alanine, conf. I
476737.4660 0.3446 -5.1917 3 415.6748375 89502 303623132 613032 a-Alanine, conf. I
476737.4686 0.3446 -4.2395 3 415.6748375 89502 303623131 613032 a-Alanine, conf. I
476761.5800 1.2884 -5.1665 3 833.5980609 89502 303A1 794 A0 793 a-Alanine, conf. I
476761.5800 1.2884 -4.5718 3 833.5980609 89502 303A1 794 A0 893 a-Alanine, conf. I
476761.5800 1.2884 -4.5718 3 833.5980609 89502 303A1 894 A0 793 a-Alanine, conf. I
476761.5800 1.2884 -5.1665 3 833.5980609 89502 303A1 894 A0 893 a-Alanine, conf. I
476779.5166 0.1969 -5.0774 3 371.9954315 89502 303524210 514110 a-Alanine, conf. I
476779.5166 0.1969 -3.9515 3 371.9954315 89502 303524210 514111 a-Alanine, conf. I
476779.5166 0.1969 -3.9515 3 371.9954315 89502 303524211 514110 a-Alanine, conf. I
476779.5166 0.1969 -5.0774 3 371.9954315 89502 303524211 514111 a-Alanine, conf. I
476804.3054 1.8662 -5.1606 3 841.3371627 89502 303A4 3A1 A3 3A0 a-Alanine, conf. I
476804.3054 1.8662 -4.5393 3 841.3371627 89502 303A4 3A1 A3 4A0 a-Alanine, conf. I
476804.3054 1.8662 -4.5393 3 841.3371627 89502 303A4 4A1 A3 3A0 a-Alanine, conf. I
476804.3054 1.8662 -5.1606 3 841.3371627 89502 303A4 4A1 A3 4A0 a-Alanine, conf. I
476928.4426 3.6071 -5.1112 3 745.4356513 89502 303853452 843451 a-Alanine, conf. I
476956.8199 1.1191 -5.1409 3 785.1496549 89502 303912170 902169 a-Alanine, conf. I
476956.8199 1.1191 -4.7199 3 785.1496549 89502 303912170 902269 a-Alanine, conf. I
476956.8199 1.1191 -4.7199 3 785.1496549 89502 303912270 902169 a-Alanine, conf. I
476956.8199 1.1191 -5.1409 3 785.1496549 89502 303912270 902269 a-Alanine, conf. I
476985.3970 0.7704 -5.3888 3 360.0775387 89502 303641054 63 954 a-Alanine, conf. I
476985.3970 0.7704 -5.3888 3 360.0775387 89502 303641154 631054 a-Alanine, conf. I
477002.5523 1.1990 -5.3036 3 395.6345393 89502 303651550 641450 a-Alanine, conf. I
477002.5542 1.1990 -5.3036 3 395.6345393 89502 303651650 641550 a-Alanine, conf. I
477008.4379 2.1175 -5.3775 3 845.6092525 89502 303874641 864640 a-Alanine, conf. I
477008.4379 2.1175 -5.3775 3 845.6092525 89502 303874642 864641 a-Alanine, conf. I
477013.2847 6.4756 -5.0389 3 745.9224519 89502 303862957 853056 a-Alanine, conf. I
477019.8010 1.0861 -5.1656 3 815.1017579 89502 303961482 951481 a-Alanine, conf. I
477019.8010 1.0861 -4.6356 3 815.1017579 89502 303961482 951581 a-Alanine, conf. I
477019.8010 1.0861 -4.6356 3 815.1017579 89502 303961582 951481 a-Alanine, conf. I
477019.8010 1.0861 -5.1656 3 815.1017579 89502 303961582 951581 a-Alanine, conf. I
477019.9513 2.6188 -5.2763 3 443.9595405 89502 303672146 662046 a-Alanine, conf. I
477067.2272 2.5378 -4.9330 3 284.5140327 89502 303541737 531638 a-Alanine, conf. I
477068.3863 1.0988 -4.8007 3 760.1645531 89502 303882563 872662 a-Alanine, conf. I
477069.2644 1.0987 -5.1095 3 760.1645531 89502 303882663 872662 a-Alanine, conf. I
477070.1964 1.0986 -5.1095 3 760.1645531 89502 303882563 872562 a-Alanine, conf. I
477071.0745 1.0985 -4.8006 3 760.1645531 89502 303882663 872562 a-Alanine, conf. I
477128.0538 0.4267 -5.5697 3 213.8294279 89502 303462026 451729 a-Alanine, conf. I
477128.5657 2.9063 -5.1986 3 780.7182519 89502 303863849 853848 a-Alanine, conf. I
477128.7158 2.9065 -5.1986 3 780.7182519 89502 303863848 853847 a-Alanine, conf. I
477160.2549 3.8421 -5.1108 3 745.4440513 89502 303853451 843450 a-Alanine, conf. I
477354.7046 2.4620 -5.2757 3 443.9637405 89502 303672246 662146 a-Alanine, conf. I
477459.4575 0.2002 -5.0868 3 375.1465321 89502 303534112 524012 a-Alanine, conf. I
477459.4575 0.2002 -3.9708 3 375.1465321 89502 303534112 524013 a-Alanine, conf. I
477459.4575 0.2002 -3.9708 3 375.1465321 89502 303534113 524012 a-Alanine, conf. I
477459.4575 0.2002 -5.0868 3 375.1465321 89502 303534113 524013 a-Alanine, conf. I
477471.5839 1.2882 -5.0544 3 726.0374513 89502 303852857 842856 a-Alanine, conf. I
477529.1015 2.2064 -5.3552 3 838.8100525 89502 303874542 864541 a-Alanine, conf. I
477529.1015 2.2064 -5.3552 3 838.8100525 89502 303874543 864542 a-Alanine, conf. I
477593.3727 1.1142 -5.1611 3 805.9655567 89502 303941777 931776 a-Alanine, conf. I
477593.3727 1.1142 -4.6697 3 805.9655567 89502 303941777 931876 a-Alanine, conf. I
477593.3727 1.1142 -4.6697 3 805.9655567 89502 303941877 931776 a-Alanine, conf. I
477593.3727 1.1142 -5.1611 3 805.9655567 89502 303941877 931876 a-Alanine, conf. I
477594.6748 10.9713 -4.8679 3 585.5670459 89502 303762849 752748 a-Alanine, conf. I
477604.2844 1.1168 -5.1717 3 829.3174597 89502 303991089 981088 a-Alanine, conf. I
477604.2844 1.1168 -4.6012 3 829.3174597 89502 303991089 981188 a-Alanine, conf. I
477604.2844 1.1168 -4.6012 3 829.3174597 89502 303991189 981088 a-Alanine, conf. I
477604.2844 1.1168 -5.1717 3 829.3174597 89502 303991189 981188 a-Alanine, conf. I
477608.7483 1.2526 -5.0705 3 243.1668309 89502 303511338 501239 a-Alanine, conf. I
477610.4729 1.2522 -5.0705 3 243.1668309 89502 303511438 501139 a-Alanine, conf. I
477611.9412 5.8125 -5.0567 3 721.6011507 89502 303843252 833251 a-Alanine, conf. I
477755.9022 1.1572 -5.2747 3 469.5070411 89502 303682643 672543 a-Alanine, conf. I
477767.8905 0.4445 -5.2600 3 459.9653405 89502 303672741 662641 a-Alanine, conf. I
477823.7073 30.7854 -5.5539 3 878.5123561 89502 303933360 923459 a-Alanine, conf. I
477845.8929 2.0887 -5.1633 3 846.6473633 89502 303A5 2A3 A4 2A2 a-Alanine, conf. I
477845.8929 2.0887 -4.5362 3 846.6473633 89502 303A5 2A3 A4 3A2 a-Alanine, conf. I
477845.8929 2.0887 -4.5362 3 846.6473633 89502 303A5 3A3 A4 2A2 a-Alanine, conf. I
477845.8929 2.0887 -5.1633 3 846.6473633 89502 303A5 3A3 A4 3A2 a-Alanine, conf. I
477902.4562 19.2619 -5.2963 3 802.5596537 89502 303893158 883257 a-Alanine, conf. I
477907.9265 1.4066 -5.1709 3 839.8448615 89502 303A2 696 A1 695 a-Alanine, conf. I
477907.9265 1.4066 -4.5688 3 839.8448615 89502 303A2 696 A1 795 a-Alanine, conf. I
477907.9265 1.4066 -4.5688 3 839.8448615 89502 303A2 796 A1 695 a-Alanine, conf. I
477907.9265 1.4066 -5.1709 3 839.8448615 89502 303A2 796 A1 795 a-Alanine, conf. I
477986.0458 1.1135 -4.7787 3 770.8033537 89502 303892465 882564 a-Alanine, conf. I
477986.0880 1.1135 -5.1237 3 770.8033537 89502 303892565 882564 a-Alanine, conf. I
477986.1361 1.1135 -5.1237 3 770.8033537 89502 303892465 882464 a-Alanine, conf. I
477986.1783 1.1135 -4.7787 3 770.8033537 89502 303892565 882464 a-Alanine, conf. I
478042.5974 6.4925 -4.9357 3 694.5006501 89502 303832955 822854 a-Alanine, conf. I
478097.1198 2.3010 -5.3334 3 832.1959525 89502 303874443 864442 a-Alanine, conf. I
478097.1198 2.3010 -5.3334 3 832.1959525 89502 303874444 864443 a-Alanine, conf. I
478122.7958 0.2091 -5.0966 3 378.6548327 89502 303544014 533914 a-Alanine, conf. I
478122.7958 0.2091 -3.9913 3 378.6548327 89502 303544014 533915 a-Alanine, conf. I
478122.7958 0.2091 -3.9913 3 378.6548327 89502 303544015 533914 a-Alanine, conf. I
478122.7958 0.2091 -5.0966 3 378.6548327 89502 303544015 533915 a-Alanine, conf. I
478174.3853 2.2709 -4.9315 3 284.5128327 89502 303541837 531538 a-Alanine, conf. I
478197.5595 1.1292 -5.1518 3 794.6885555 89502 303922072 912071 a-Alanine, conf. I
478197.5595 1.1292 -4.7097 3 794.6885555 89502 303922072 912171 a-Alanine, conf. I
478197.5595 1.1292 -4.7097 3 794.6885555 89502 303922172 912071 a-Alanine, conf. I
478197.5595 1.1292 -5.1518 3 794.6885555 89502 303922172 912171 a-Alanine, conf. I
478225.3775 2.6908 -5.2802 3 463.2891411 89502 303682445 672345 a-Alanine, conf. I
478230.1143 0.7732 -5.4177 3 354.7438387 89502 30364 955 63 855 a-Alanine, conf. I
478230.1143 0.7732 -5.4177 3 354.7438387 89502 303641055 63 955 a-Alanine, conf. I
478242.3538 4.5034 -4.9307 3 710.2198507 89502 303842956 832855 a-Alanine, conf. I
478289.3961 1.2627 -5.2779 3 472.8192411 89502 303682741 672641 a-Alanine, conf. I
478295.9415 1.0896 -5.1728 3 822.9669585 89502 303971384 961383 a-Alanine, conf. I
478295.9415 1.0896 -4.6314 3 822.9669585 89502 303971384 961483 a-Alanine, conf. I
478295.9415 1.0896 -4.6314 3 822.9669585 89502 303971484 961383 a-Alanine, conf. I
478295.9415 1.0896 -5.1728 3 822.9669585 89502 303971484 961483 a-Alanine, conf. I
478302.4935 3.0907 -5.1801 3 775.5011519 89502 303863750 853749 a-Alanine, conf. I
478303.8117 3.0924 -5.1801 3 775.5011519 89502 303863749 853748 a-Alanine, conf. I
478391.8944 1.7195 -5.2827 3 420.2550399 89502 303661848 651748 a-Alanine, conf. I
478393.2165 1.7188 -5.2827 3 420.2551399 89502 303661948 651848 a-Alanine, conf. I
478519.3368 1.2170 -4.9341 3 313.3823339 89502 303562136 551837 a-Alanine, conf. I
478637.8636 0.3099 -5.0420 3 370.0265291 89502 3034847 1 4746 1 a-Alanine, conf. I
478637.8636 0.3099 -3.8795 3 370.0265291 89502 3034847 1 4746 2 a-Alanine, conf. I
478637.8636 0.3099 -3.8795 3 370.0265291 89502 3034847 2 4746 1 a-Alanine, conf. I
478637.8636 0.3099 -5.0420 3 370.0265291 89502 3034847 2 4746 2 a-Alanine, conf. I
478691.1567 1.8874 -4.9350 3 742.0423519 89502 303862858 852957 a-Alanine, conf. I
478719.3516 2.4024 -5.3122 3 825.7700525 89502 303874344 864343 a-Alanine, conf. I
478719.3516 2.4024 -5.3122 3 825.7700525 89502 303874345 864344 a-Alanine, conf. I
478761.0643 1.0735 -5.3172 3 390.9591393 89502 303651451 641351 a-Alanine, conf. I
478761.0644 1.0735 -5.3172 3 390.9591393 89502 303651551 641451 a-Alanine, conf. I
478765.0263 0.2216 -5.1068 3 382.5237333 89502 303553916 543816 a-Alanine, conf. I
478765.0263 0.2216 -4.0131 3 382.5237333 89502 303553916 543817 a-Alanine, conf. I
478765.0263 0.2216 -4.0131 3 382.5237333 89502 303553917 543816 a-Alanine, conf. I
478765.0263 0.2216 -5.1068 3 382.5237333 89502 303553917 543817 a-Alanine, conf. I
478815.5253 1.1658 -5.1773 3 836.2655603 89502 303A0 991 99 990 a-Alanine, conf. I
478815.5253 1.1658 -4.5980 3 836.2655603 89502 303A0 991 991090 a-Alanine, conf. I
478815.5253 1.1658 -4.5980 3 836.2655603 89502 303A01091 99 990 a-Alanine, conf. I
478815.5253 1.1658 -5.1773 3 836.2655603 89502 303A01091 991090 a-Alanine, conf. I
478832.4076 3.4786 -4.6183 3 456.8471405 89502 303672641 662542 a-Alanine, conf. I
478856.7794 2.3370 -5.1657 3 851.7281639 89502 303A6 1A5 A5 1A4 a-Alanine, conf. I
478856.7794 2.3370 -4.5331 3 851.7281639 89502 303A6 1A5 A5 2A4 a-Alanine, conf. I
478856.7794 2.3370 -4.5331 3 851.7281639 89502 303A6 2A5 A5 1A4 a-Alanine, conf. I
478856.7794 2.3370 -5.1657 3 851.7281639 89502 303A6 2A5 A5 2A4 a-Alanine, conf. I
478888.2574 1.1153 -5.1698 3 814.5369573 89502 303951679 941678 a-Alanine, conf. I
478888.2574 1.1153 -4.6639 3 814.5369573 89502 303951679 941778 a-Alanine, conf. I
478888.2574 1.1153 -4.6639 3 814.5369573 89502 303951779 941678 a-Alanine, conf. I
478888.2574 1.1153 -5.1698 3 814.5369573 89502 303951779 941778 a-Alanine, conf. I
478905.5749 3.7504 -5.0938 3 741.2137513 89502 303853353 843352 a-Alanine, conf. I
479006.0844 25.2019 -5.4240 3 840.1169549 89502 303913259 903358 a-Alanine, conf. I
479010.3553 0.9251 -4.5216 3 459.9653405 89502 303672740 662641 a-Alanine, conf. I
479023.6142 6.3800 -4.7055 3 441.3880399 89502 303662541 652442 a-Alanine, conf. I
479027.6463 1.5523 -5.1749 3 845.8688621 89502 303A3 598 A2 597 a-Alanine, conf. I
479027.6463 1.5523 -4.5659 3 845.8688621 89502 303A3 598 A2 697 a-Alanine, conf. I
479027.6463 1.5523 -4.5659 3 845.8688621 89502 303A3 698 A2 597 a-Alanine, conf. I
479027.6463 1.5523 -5.1749 3 845.8688621 89502 303A3 698 A2 697 a-Alanine, conf. I
479042.0363 1.1272 -4.7613 3 781.1531543 89502 303902367 892466 a-Alanine, conf. I
479042.0380 1.1272 -5.1369 3 781.1531543 89502 303902467 892466 a-Alanine, conf. I
479042.0401 1.1272 -5.1369 3 781.1531543 89502 303902367 892366 a-Alanine, conf. I
479042.0418 1.1272 -4.7613 3 781.1531543 89502 303902467 892366 a-Alanine, conf. I
479157.2146 1.5483 -5.0603 3 729.9394513 89502 303853056 843055 a-Alanine, conf. I
479205.7687 0.3870 -4.4300 3 450.9506399 89502 303662839 652738 a-Alanine, conf. I
479297.9765 0.3798 -5.2448 3 450.9506399 89502 303662838 652738 a-Alanine, conf. I
479358.0997 0.2679 -5.0498 3 371.6115297 89502 3034946 3 4845 3 a-Alanine, conf. I
479358.0997 0.2679 -3.8944 3 371.6115297 89502 3034946 3 4845 4 a-Alanine, conf. I
479358.0997 0.2679 -3.8944 3 371.6115297 89502 3034946 4 4845 3 a-Alanine, conf. I
479358.0997 0.2679 -5.0498 3 371.6115297 89502 3034946 4 4845 4 a-Alanine, conf. I
479380.3437 0.2362 -5.1173 3 386.7570339 89502 303563818 553718 a-Alanine, conf. I
479380.3437 0.2362 -4.0363 3 386.7570339 89502 303563818 553719 a-Alanine, conf. I
479380.3437 0.2362 -4.0363 3 386.7570339 89502 303563819 553718 a-Alanine, conf. I
479380.3437 0.2362 -5.1173 3 386.7570339 89502 303563819 553719 a-Alanine, conf. I
479404.2724 2.5119 -5.2916 3 819.5364525 89502 303874245 864244 a-Alanine, conf. I
479404.2724 2.5119 -5.2916 3 819.5364525 89502 303874246 864245 a-Alanine, conf. I
479405.5778 0.8062 -5.4519 3 349.2664387 89502 30364 856 63 756 a-Alanine, conf. I
479405.5778 0.8062 -5.4519 3 349.2664387 89502 30364 956 63 856 a-Alanine, conf. I
479466.0744 1.1370 -5.1622 3 803.9889561 89502 303931974 921973 a-Alanine, conf. I
479466.0744 1.1370 -4.7012 3 803.9889561 89502 303931974 922073 a-Alanine, conf. I
479466.0744 1.1370 -4.7012 3 803.9889561 89502 303932074 921973 a-Alanine, conf. I
479466.0744 1.1370 -5.1622 3 803.9889561 89502 303932074 922073 a-Alanine, conf. I
479526.2711 0.3873 -5.2444 3 450.9399399 89502 303662839 652739 a-Alanine, conf. I
479547.3005 1.6466 -5.5904 3 922.1959531 89502 303885434 875433 a-Alanine, conf. I
479547.3005 1.6466 -5.5904 3 922.1959531 89502 303885435 875434 a-Alanine, conf. I
479557.9658 1.0991 -5.1798 3 830.6131591 89502 303981286 971285 a-Alanine, conf. I
479557.9658 1.0991 -4.6276 3 830.6131591 89502 303981286 971385 a-Alanine, conf. I
479557.9658 1.0991 -4.6276 3 830.6131591 89502 303981386 971285 a-Alanine, conf. I
479557.9658 1.0991 -5.1798 3 830.6131591 89502 303981386 971385 a-Alanine, conf. I
479558.3140 0.9725 -4.9949 3 697.2801501 89502 303832954 822953 a-Alanine, conf. I
479578.0466 8.7572 -4.9416 3 678.8715495 89502 303822954 812853 a-Alanine, conf. I
479618.4790 0.4014 -4.4294 3 450.9399399 89502 303662838 652739 a-Alanine, conf. I
479670.8297 3.3119 -5.1618 3 770.5208519 89502 303863651 853650 a-Alanine, conf. I
479681.1782 3.3243 -5.1618 3 770.5211519 89502 303863650 853649 a-Alanine, conf. I
479812.1669 3.0060 -4.9279 3 726.0374513 89502 303852957 842856 a-Alanine, conf. I
479836.0461 2.6107 -5.1677 3 856.5774645 89502 303A7 0A7 A6 0A6 a-Alanine, conf. I
479836.0461 2.6107 -4.5299 3 856.5774645 89502 303A7 0A7 A6 1A6 a-Alanine, conf. I
479836.0461 2.6107 -4.5299 3 856.5774645 89502 303A7 1A7 A6 0A6 a-Alanine, conf. I
479836.0461 2.6107 -5.1677 3 856.5774645 89502 303A7 1A7 A6 1A6 a-Alanine, conf. I
479843.9046 1.7072 -5.5633 3 914.0044531 89502 303885335 875334 a-Alanine, conf. I
479843.9046 1.7072 -5.5633 3 914.0044531 89502 303885336 875335 a-Alanine, conf. I
479961.2058 0.2520 -5.1282 3 391.3592345 89502 303573720 563620 a-Alanine, conf. I
479961.2058 0.2520 -4.0610 3 391.3592345 89502 303573720 563621 a-Alanine, conf. I
479961.2058 0.2520 -4.0610 3 391.3592345 89502 303573721 563620 a-Alanine, conf. I
479961.2058 0.2520 -5.1282 3 391.3592345 89502 303573721 563621 a-Alanine, conf. I
480004.1993 1.2365 -5.1825 3 842.9937609 89502 303A1 893 A0 892 a-Alanine, conf. I
480004.1993 1.2365 -4.5950 3 842.9937609 89502 303A1 893 A0 992 a-Alanine, conf. I
480004.1993 1.2365 -4.5950 3 842.9937609 89502 303A1 993 A0 892 a-Alanine, conf. I
480004.1993 1.2365 -5.1825 3 842.9937609 89502 303A1 993 A0 992 a-Alanine, conf. I
480007.1642 0.9095 -5.1817 3 227.1555303 89502 303501139 491040 a-Alanine, conf. I
480007.1872 0.9095 -5.1817 3 227.1555303 89502 303501239 49 940 a-Alanine, conf. I
480016.0303 1.1032 -5.0785 3 742.0423519 89502 303862958 852957 a-Alanine, conf. I
480072.5899 0.2361 -5.0579 3 373.5437303 89502 3035045 5 4944 5 a-Alanine, conf. I
480072.5899 0.2361 -3.9101 3 373.5437303 89502 3035045 5 4944 6 a-Alanine, conf. I
480072.5899 0.2361 -3.9101 3 373.5437303 89502 3035045 6 4944 5 a-Alanine, conf. I
480072.5899 0.2361 -5.0579 3 373.5437303 89502 3035045 6 4944 6 a-Alanine, conf. I
480083.6862 2.4911 -4.9139 3 297.4816333 89502 303551937 541638 a-Alanine, conf. I
480093.1762 1.1178 -4.8758 3 753.7682525 89502 303872760 862859 a-Alanine, conf. I
480119.5136 1.7256 -5.1785 3 851.6684627 89502 303A4 4A0 A3 499 a-Alanine, conf. I
480119.5136 1.7256 -4.5631 3 851.6684627 89502 303A4 4A0 A3 599 a-Alanine, conf. I
480119.5136 1.7256 -4.5631 3 851.6684627 89502 303A4 5A0 A3 499 a-Alanine, conf. I
480119.5136 1.7256 -5.1785 3 851.6684627 89502 303A4 5A0 A3 599 a-Alanine, conf. I
480127.7620 4.8413 -5.0915 3 741.2642513 89502 303853352 843351 a-Alanine, conf. I
480161.5365 1.7713 -5.5369 3 905.9833531 89502 303885236 875235 a-Alanine, conf. I
480161.5365 1.7713 -5.5369 3 905.9833531 89502 303885237 875236 a-Alanine, conf. I
480162.5542 2.6314 -5.2714 3 813.4996525 89502 303874147 864146 a-Alanine, conf. I
480162.5545 2.6314 -5.2714 3 813.4996525 89502 303874146 864145 a-Alanine, conf. I
480179.6998 1.1154 -5.1781 3 822.8856579 89502 303961581 951580 a-Alanine, conf. I
480179.6998 1.1154 -4.6589 3 822.8856579 89502 303961581 951680 a-Alanine, conf. I
480179.6998 1.1154 -4.6589 3 822.8856579 89502 303961681 951580 a-Alanine, conf. I
480179.6998 1.1154 -5.1781 3 822.8856579 89502 303961681 951680 a-Alanine, conf. I
480188.9198 1.1401 -4.7474 3 791.2337549 89502 303912269 902368 a-Alanine, conf. I
480188.9199 1.1401 -5.1493 3 791.2337549 89502 303912369 902368 a-Alanine, conf. I
480188.9200 1.1401 -5.1493 3 791.2337549 89502 303912269 902268 a-Alanine, conf. I
480188.9200 1.1401 -4.7474 3 791.2337549 89502 303912369 902268 a-Alanine, conf. I
480206.7780 1.0945 -5.0972 3 753.7682525 89502 303872860 862859 a-Alanine, conf. I
480308.3036 1.0860 -5.0970 3 753.7610525 89502 303872760 862759 a-Alanine, conf. I
480381.4204 0.9681 -5.3329 3 386.1232393 89502 303651352 641252 a-Alanine, conf. I
480381.4204 0.9681 -5.3329 3 386.1232393 89502 303651452 641352 a-Alanine, conf. I
480421.9054 1.0865 -4.8752 3 753.7610525 89502 303872860 862759 a-Alanine, conf. I
480497.7076 0.2688 -5.1395 3 396.3359351 89502 303583622 573522 a-Alanine, conf. I
480497.7076 0.2688 -4.0875 3 396.3359351 89502 303583622 573523 a-Alanine, conf. I
480497.7076 0.2688 -4.0875 3 396.3359351 89502 303583623 573522 a-Alanine, conf. I
480497.7076 0.2688 -5.1395 3 396.3359351 89502 303583623 573523 a-Alanine, conf. I
480502.2093 1.8392 -5.5111 3 898.1340531 89502 303885137 875136 a-Alanine, conf. I
480502.2093 1.8392 -5.5111 3 898.1340531 89502 303885138 875137 a-Alanine, conf. I
480519.5839 0.8655 -5.4928 3 343.6475387 89502 30364 757 63 657 a-Alanine, conf. I
480519.5839 0.8655 -5.4928 3 343.6475387 89502 30364 857 63 757 a-Alanine, conf. I
480570.8279 1.7398 -5.2926 3 485.8076417 89502 303692742 682642 a-Alanine, conf. I
480572.5510 3.4512 -5.0780 3 737.2825513 89502 303853254 843253 a-Alanine, conf. I
480661.0731 1.1161 -4.8390 3 765.0979531 89502 303882662 872761 a-Alanine, conf. I
480668.7257 1.1150 -5.1142 3 765.0979531 89502 303882762 872761 a-Alanine, conf. I
480676.3233 1.1142 -5.1142 3 765.0973531 89502 303882662 872661 a-Alanine, conf. I
480683.9758 1.1133 -4.8390 3 765.0973531 89502 303882762 872661 a-Alanine, conf. I
480684.6284 2.2253 -5.2800 3 440.1973405 89502 303672047 661947 a-Alanine, conf. I
480703.6754 3.2246 -5.2846 3 459.8712411 89502 303682246 672146 a-Alanine, conf. I
480717.7870 1.5333 -5.2911 3 415.9905399 89502 303661749 651649 a-Alanine, conf. I
480717.9128 1.5332 -5.2911 3 415.9905399 89502 303661849 651749 a-Alanine, conf. I
480732.6638 2.2012 -5.2799 3 440.1979405 89502 303672147 662047 a-Alanine, conf. I
480750.8275 1.1423 -5.1720 3 813.0567567 89502 303941876 931875 a-Alanine, conf. I
480750.8275 1.1423 -4.6939 3 813.0567567 89502 303941876 931975 a-Alanine, conf. I
480750.8275 1.1423 -4.6939 3 813.0567567 89502 303941976 931875 a-Alanine, conf. I
480750.8275 1.1423 -5.1720 3 813.0567567 89502 303941976 931975 a-Alanine, conf. I
480779.8639 0.2152 -5.0665 3 375.8249309 89502 3035144 7 5043 7 a-Alanine, conf. I
480779.8639 0.2152 -3.9268 3 375.8249309 89502 3035144 7 5043 8 a-Alanine, conf. I
480779.8639 0.2152 -3.9268 3 375.8249309 89502 3035144 8 5043 7 a-Alanine, conf. I
480779.8639 0.2152 -5.0665 3 375.8249309 89502 3035144 8 5043 8 a-Alanine, conf. I
480803.1536 1.1184 -5.1863 3 838.0404597 89502 303991188 981187 a-Alanine, conf. I
480803.1536 1.1184 -4.6242 3 838.0404597 89502 303991188 981287 a-Alanine, conf. I
480803.1536 1.1184 -4.6242 3 838.0404597 89502 303991288 981187 a-Alanine, conf. I
480803.1536 1.1184 -5.1863 3 838.0404597 89502 303991288 981287 a-Alanine, conf. I
480813.6920 0.3814 -4.3612 3 442.4908393 89502 303652937 642836 a-Alanine, conf. I
480818.7400 0.3822 -5.2293 3 442.4908393 89502 303652936 642836 a-Alanine, conf. I
480833.5020 0.3845 -5.2293 3 442.4902393 89502 303652937 642837 a-Alanine, conf. I
480838.5500 0.3854 -4.3612 3 442.4902393 89502 303652936 642837 a-Alanine, conf. I
480868.2240 1.9106 -5.4860 3 890.4580531 89502 303885038 875037 a-Alanine, conf. I
480868.2240 1.9106 -5.4860 3 890.4580531 89502 303885039 875038 a-Alanine, conf. I
480902.7256 2.5422 -5.0663 3 733.5780513 89502 303853155 843154 a-Alanine, conf. I
480976.6601 0.2863 -5.1511 3 401.6936357 89502 303593524 583424 a-Alanine, conf. I
480976.6601 0.2863 -4.1160 3 401.6936357 89502 303593524 583425 a-Alanine, conf. I
480976.6601 0.2863 -4.1160 3 401.6936357 89502 303593525 583424 a-Alanine, conf. I
480976.6601 0.2863 -5.1511 3 401.6936357 89502 303593525 583425 a-Alanine, conf. I
481007.9423 2.7637 -5.2518 3 807.6654525 89502 303874048 864047 a-Alanine, conf. I
481007.9457 2.7637 -5.2518 3 807.6654525 89502 303874047 864046 a-Alanine, conf. I
481031.7397 1.1637 -5.0763 3 741.9642519 89502 303862858 852857 a-Alanine, conf. I
481143.0404 0.6815 -5.3272 3 211.1063297 89502 30349 940 48 841 a-Alanine, conf. I
481143.0406 0.6815 -5.3272 3 211.1063297 89502 303491040 48 741 a-Alanine, conf. I
481168.6802 1.3320 -5.1874 3 849.5010615 89502 303A2 795 A1 794 a-Alanine, conf. I
481168.6802 1.3320 -4.5922 3 849.5010615 89502 303A2 795 A1 894 a-Alanine, conf. I
481168.6802 1.3320 -4.5922 3 849.5010615 89502 303A2 895 A1 794 a-Alanine, conf. I
481168.6802 1.3320 -5.1874 3 849.5010615 89502 303A2 895 A1 894 a-Alanine, conf. I
481182.4023 1.9261 -5.1817 3 857.2416633 89502 303A5 3A2 A4 3A1 a-Alanine, conf. I
481182.4023 1.9261 -4.5602 3 857.2416633 89502 303A5 3A2 A4 4A1 a-Alanine, conf. I
481182.4023 1.9261 -4.5602 3 857.2416633 89502 303A5 4A2 A4 3A1 a-Alanine, conf. I
481182.4023 1.9261 -5.1817 3 857.2416633 89502 303A5 4A2 A4 4A1 a-Alanine, conf. I
481226.7794 2.6685 -5.4953 3 243.4115297 89502 303492129 481830 a-Alanine, conf. I
481262.2264 1.9859 -5.4616 3 882.9567531 89502 303884939 874938 a-Alanine, conf. I
481262.2264 1.9859 -5.4616 3 882.9567531 89502 303884940 874939 a-Alanine, conf. I
481288.0594 3.5737 -5.1439 3 765.7947519 89502 303863552 853551 a-Alanine, conf. I
481331.7867 1.4807 -5.0290 3 255.6596315 89502 303521438 511339 a-Alanine, conf. I
481340.2019 1.4786 -5.0290 3 255.6596315 89502 303521538 511239 a-Alanine, conf. I
481343.2421 5.7944 -4.9097 3 334.5010351 89502 303582038 571939 a-Alanine, conf. I
481347.4520 8.7541 -4.8445 3 399.3534381 89502 303632340 622241 a-Alanine, conf. I
481359.6619 3.6534 -5.1437 3 765.7971519 89502 303863551 853550 a-Alanine, conf. I
481371.2148 0.6209 -5.5239 3 195.0495291 89502 30348 741 47 642 a-Alanine, conf. I
481371.2148 0.6209 -5.5239 3 195.0495291 89502 30348 841 47 542 a-Alanine, conf. I
481380.1827 0.3047 -5.1630 3 407.4404363 89502 303603426 593326 a-Alanine, conf. I
481380.1827 0.3047 -4.1469 3 407.4404363 89502 303603426 593327 a-Alanine, conf. I
481380.1827 0.3047 -4.1469 3 407.4404363 89502 303603427 593326 a-Alanine, conf. I
481380.1827 0.3047 -5.1630 3 407.4404363 89502 303603427 593327 a-Alanine, conf. I
481396.0470 1.1518 -5.1610 3 801.0591555 89502 303922171 912170 a-Alanine, conf. I
481396.0470 1.1518 -4.7360 3 801.0591555 89502 303922171 912270 a-Alanine, conf. I
481396.0470 1.1518 -4.7360 3 801.0591555 89502 303922271 912170 a-Alanine, conf. I
481396.0470 1.1518 -5.1610 3 801.0591555 89502 303922271 912270 a-Alanine, conf. I
481426.1178 1.1322 -4.8125 3 776.0779537 89502 303892564 882663 a-Alanine, conf. I
481426.5404 1.1321 -5.1296 3 776.0779537 89502 303892664 882663 a-Alanine, conf. I
481426.9959 1.1321 -5.1296 3 776.0778537 89502 303892564 882563 a-Alanine, conf. I
481427.4184 1.1320 -4.8125 3 776.0778537 89502 303892664 882563 a-Alanine, conf. I
481463.1818 1.1162 -5.1860 3 831.0133585 89502 303971483 961482 a-Alanine, conf. I
481463.1818 1.1162 -4.6545 3 831.0133585 89502 303971483 961582 a-Alanine, conf. I
481463.1818 1.1162 -4.6545 3 831.0133585 89502 303971583 961482 a-Alanine, conf. I
481463.1818 1.1162 -5.1860 3 831.0133585 89502 303971583 961582 a-Alanine, conf. I
481478.0567 0.2050 -5.0754 3 378.4569315 89502 3035243 9 5142 9 a-Alanine, conf. I
481478.0567 0.2050 -3.9444 3 378.4569315 89502 3035243 9 514210 a-Alanine, conf. I
481478.0567 0.2050 -3.9444 3 378.4569315 89502 303524310 5142 9 a-Alanine, conf. I
481478.0567 0.2050 -5.0754 3 378.4569315 89502 303524310 514210 a-Alanine, conf. I
481535.7082 0.3767 -4.3059 3 434.5693387 89502 303643035 632934 a-Alanine, conf. I
481535.9207 0.3768 -5.2150 3 434.5693387 89502 303643034 632934 a-Alanine, conf. I
481536.6318 0.3769 -5.2150 3 434.5692387 89502 303643035 632935 a-Alanine, conf. I
481536.8444 0.3769 -4.3059 3 434.5692387 89502 303643034 632935 a-Alanine, conf. I
481578.6928 0.9457 -5.5425 3 337.8889387 89502 30364 658 63 558 a-Alanine, conf. I
481578.6928 0.9457 -5.5425 3 337.8889387 89502 30364 758 63 658 a-Alanine, conf. I
481647.4531 0.3491 -5.5385 3 222.4914285 89502 303472027 461730 a-Alanine, conf. I
481683.4629 0.3239 -5.1754 3 413.5865369 89502 303613328 603228 a-Alanine, conf. I
481683.4629 0.3239 -4.1805 3 413.5865369 89502 303613328 603229 a-Alanine, conf. I
481683.4629 0.3239 -4.1805 3 413.5865369 89502 303613329 603228 a-Alanine, conf. I
481683.4629 0.3239 -5.1754 3 413.5865369 89502 303613329 603229 a-Alanine, conf. I
481687.2815 2.0651 -5.4377 3 875.6319531 89502 303884840 874839 a-Alanine, conf. I
481687.2815 2.0651 -5.4377 3 875.6319531 89502 303884841 874840 a-Alanine, conf. I
481781.0861 2.7318 -5.2828 3 459.8866411 89502 303682346 672246 a-Alanine, conf. I
481829.8100 0.3619 -4.2588 3 427.1313381 89502 303633133 623032 a-Alanine, conf. I
481829.8171 0.3619 -5.2013 3 427.1313381 89502 303633132 623032 a-Alanine, conf. I
481829.8434 0.3619 -5.2013 3 427.1313381 89502 303633133 623033 a-Alanine, conf. I
481829.8505 0.3619 -4.2588 3 427.1313381 89502 303633132 623033 a-Alanine, conf. I
481850.9956 0.3433 -4.2175 3 420.1446375 89502 303623231 613130 a-Alanine, conf. I
481850.9958 0.3433 -5.1881 3 420.1446375 89502 303623230 613130 a-Alanine, conf. I
481850.9965 0.3433 -5.1881 3 420.1446375 89502 303623231 613131 a-Alanine, conf. I
481850.9967 0.3433 -4.2175 3 420.1446375 89502 303623230 613131 a-Alanine, conf. I
481885.1300 0.8857 -5.3511 3 381.1316393 89502 303651253 641153 a-Alanine, conf. I
481885.1300 0.8857 -5.3511 3 381.1316393 89502 303651353 641253 a-Alanine, conf. I
481942.4116 4.5208 -4.9947 3 699.6590501 89502 303833053 823052 a-Alanine, conf. I
481958.6350 2.9127 -5.2326 3 802.0405525 89502 303873949 863948 a-Alanine, conf. I
481958.6703 2.9127 -5.2326 3 802.0405525 89502 303873948 863947 a-Alanine, conf. I
482029.1695 1.1518 -5.1924 3 845.2486603 89502 303A01090 991089 a-Alanine, conf. I
482029.1695 1.1518 -4.6210 3 845.2486603 89502 303A01090 991189 a-Alanine, conf. I
482029.1695 1.1518 -4.6210 3 845.2486603 89502 303A01190 991089 a-Alanine, conf. I
482029.1695 1.1518 -5.1924 3 845.2486603 89502 303A01190 991189 a-Alanine, conf. I
482043.1283 1.1450 -5.1814 3 821.8963573 89502 303951778 941777 a-Alanine, conf. I
482043.1283 1.1450 -4.6877 3 821.8963573 89502 303951778 941877 a-Alanine, conf. I
482043.1283 1.1450 -4.6877 3 821.8963573 89502 303951878 941777 a-Alanine, conf. I
482043.1283 1.1450 -5.1814 3 821.8963573 89502 303951878 941877 a-Alanine, conf. I
482095.8013 6.1068 -5.3226 3 508.1436429 89502 303712546 702446 a-Alanine, conf. I
482146.9683 2.1487 -5.4145 3 868.4858531 89502 303884741 874740 a-Alanine, conf. I
482146.9683 2.1487 -5.4145 3 868.4858531 89502 303884742 874741 a-Alanine, conf. I
482164.8022 0.2040 -5.0847 3 381.4419321 89502 303534211 524111 a-Alanine, conf. I
482164.8022 0.2040 -3.9630 3 381.4419321 89502 303534211 524112 a-Alanine, conf. I
482164.8022 0.2040 -3.9630 3 381.4419321 89502 303534212 524111 a-Alanine, conf. I
482164.8022 0.2040 -5.0847 3 381.4419321 89502 303534212 524112 a-Alanine, conf. I
482215.2698 2.1534 -5.1846 3 862.5865639 89502 303A6 2A4 A5 2A3 a-Alanine, conf. I
482215.2698 2.1534 -4.5573 3 862.5865639 89502 303A6 2A4 A5 3A3 a-Alanine, conf. I
482215.2698 2.1534 -4.5573 3 862.5865639 89502 303A6 3A4 A5 2A3 a-Alanine, conf. I
482215.2698 2.1534 -5.1846 3 862.5865639 89502 303A6 3A4 A5 3A3 a-Alanine, conf. I
482289.6670 2.0480 -5.3070 3 499.0616423 89502 303702743 692643 a-Alanine, conf. I
482307.5090 1.4543 -5.1919 3 855.7861621 89502 303A3 697 A2 696 a-Alanine, conf. I
482307.5090 1.4543 -4.5894 3 855.7861621 89502 303A3 697 A2 796 a-Alanine, conf. I
482307.5090 1.4543 -4.5894 3 855.7861621 89502 303A3 797 A2 696 a-Alanine, conf. I
482307.5090 1.4543 -5.1919 3 855.7861621 89502 303A3 797 A2 796 a-Alanine, conf. I
482356.6133 2.0229 -4.9275 3 741.9642519 89502 303862958 852857 a-Alanine, conf. I
482379.6458 1.1468 -4.7922 3 786.7472543 89502 303902466 892565 a-Alanine, conf. I
482379.6653 1.1468 -5.1439 3 786.7472543 89502 303902566 892565 a-Alanine, conf. I
482379.6879 1.1468 -5.1439 3 786.7472543 89502 303902466 892465 a-Alanine, conf. I
482379.7075 1.1468 -4.7922 3 786.7472543 89502 303902566 892465 a-Alanine, conf. I
482427.8314 0.5401 -5.2716 3 472.6033411 89502 303682742 672642 a-Alanine, conf. I
482439.4471 2.4788 -4.9056 3 310.6067339 89502 303562037 551738 a-Alanine, conf. I
482579.1974 1.6220 -5.0199 3 713.2765507 89502 303842955 832954 a-Alanine, conf. I
482642.7146 1.1616 -5.1721 3 810.6395561 89502 303932073 922072 a-Alanine, conf. I
482642.7146 1.1616 -4.7265 3 810.6395561 89502 303932073 922172 a-Alanine, conf. I
482642.7146 1.1616 -4.7265 3 810.6395561 89502 303932173 922072 a-Alanine, conf. I
482642.7146 1.1616 -5.1721 3 810.6395561 89502 303932173 922172 a-Alanine, conf. I
482645.5046 2.2370 -5.3918 3 861.5205531 89502 303884642 874641 a-Alanine, conf. I
482645.5046 2.2370 -5.3918 3 861.5205531 89502 303884643 874642 a-Alanine, conf. I
482734.9913 1.1204 -5.1935 3 838.9211591 89502 303981385 971384 a-Alanine, conf. I
482734.9913 1.1204 -4.6507 3 838.9211591 89502 303981385 971484 a-Alanine, conf. I
482734.9913 1.1204 -4.6507 3 838.9211591 89502 303981485 971384 a-Alanine, conf. I
482734.9913 1.1204 -5.1935 3 838.9211591 89502 303981485 971484 a-Alanine, conf. I
482800.9672 1.3696 -5.3010 3 411.5456399 89502 303661650 651550 a-Alanine, conf. I
482800.9776 1.3695 -5.3010 3 411.5456399 89502 303661750 651650 a-Alanine, conf. I
482823.9342 4.2939 -5.3298 3 524.2245435 89502 303722646 712546 a-Alanine, conf. I
482837.0951 0.2102 -5.0944 3 384.7825327 89502 303544113 534013 a-Alanine, conf. I
482837.0951 0.2102 -3.9828 3 384.7825327 89502 303544113 534014 a-Alanine, conf. I
482837.0951 0.2102 -3.9828 3 384.7825327 89502 303544114 534013 a-Alanine, conf. I
482837.0951 0.2102 -5.0944 3 384.7825327 89502 303544114 534014 a-Alanine, conf. I
483007.1332 10.8576 -4.9449 3 663.3326489 89502 303812953 802852 a-Alanine, conf. I
483039.5187 3.0842 -5.2138 3 796.6335525 89502 303873850 863849 a-Alanine, conf. I
483039.8487 3.0847 -5.2138 3 796.6335525 89502 303873849 863848 a-Alanine, conf. I
483082.3066 4.2215 -5.2961 3 475.9057417 89502 303692346 682246 a-Alanine, conf. I
483176.8349 3.8275 -5.1261 3 761.3443519 89502 303863453 853452 a-Alanine, conf. I
483187.9137 2.3307 -5.3698 3 854.7387531 89502 303884543 874542 a-Alanine, conf. I
483187.9137 2.3307 -5.3698 3 854.7387531 89502 303884544 874543 a-Alanine, conf. I
483217.1457 2.4068 -5.1871 3 867.7010645 89502 303A7 1A6 A6 1A5 a-Alanine, conf. I
483217.1457 2.4068 -4.5544 3 867.7010645 89502 303A7 1A6 A6 2A5 a-Alanine, conf. I
483217.1457 2.4068 -4.5544 3 867.7010645 89502 303A7 2A6 A6 1A5 a-Alanine, conf. I
483217.1457 2.4068 -5.1871 3 867.7010645 89502 303A7 2A6 A6 2A5 a-Alanine, conf. I
483233.9820 1.2035 -5.1982 3 852.2371609 89502 303A1 992 A0 991 a-Alanine, conf. I
483233.9820 1.2035 -4.6182 3 852.2371609 89502 303A1 992 A01091 a-Alanine, conf. I
483233.9820 1.2035 -4.6182 3 852.2371609 89502 303A11092 A0 991 a-Alanine, conf. I
483233.9820 1.2035 -5.1982 3 852.2371609 89502 303A11092 A01091 a-Alanine, conf. I
483288.8948 0.8305 -5.3722 3 375.9880393 89502 303651154 641054 a-Alanine, conf. I
483288.8948 0.8305 -5.3722 3 375.9880393 89502 303651254 641154 a-Alanine, conf. I
483320.9419 0.3453 -5.0412 3 377.2986291 89502 3034848 0 4747 0 a-Alanine, conf. I
483320.9419 0.3453 -3.8754 3 377.2986291 89502 3034848 0 4747 1 a-Alanine, conf. I
483320.9419 0.3453 -3.8754 3 377.2986291 89502 3034848 1 4747 0 a-Alanine, conf. I
483320.9419 0.3453 -5.0412 3 377.2986291 89502 3034848 1 4747 1 a-Alanine, conf. I
483336.2459 1.1458 -5.1903 3 830.5109579 89502 303961680 951679 a-Alanine, conf. I
483336.2459 1.1458 -4.6825 3 830.5109579 89502 303961680 951779 a-Alanine, conf. I
483336.2459 1.1458 -4.6825 3 830.5109579 89502 303961780 951679 a-Alanine, conf. I
483336.2459 1.1458 -5.1903 3 830.5109579 89502 303961780 951779 a-Alanine, conf. I
483383.4123 5.5735 -5.3105 3 492.0196423 89502 303702446 692346 a-Alanine, conf. I
483419.3638 1.6042 -5.1960 3 861.8475627 89502 303A4 599 A3 598 a-Alanine, conf. I
483419.3638 1.6042 -4.5868 3 861.8475627 89502 303A4 599 A3 698 a-Alanine, conf. I
483419.3638 1.6042 -4.5868 3 861.8475627 89502 303A4 699 A3 598 a-Alanine, conf. I
483419.3638 1.6042 -5.1960 3 861.8475627 89502 303A4 699 A3 698 a-Alanine, conf. I
483431.5206 2.4876 -5.2888 3 479.2410417 89502 303692545 682445 a-Alanine, conf. I
483458.3500 1.1605 -4.7761 3 797.1322549 89502 303912368 902467 a-Alanine, conf. I
483458.3508 1.1605 -5.1572 3 797.1322549 89502 303912468 902467 a-Alanine, conf. I
483458.3518 1.1605 -5.1572 3 797.1322549 89502 303912368 902367 a-Alanine, conf. I
483458.3525 1.1605 -4.7761 3 797.1322549 89502 303912468 902367 a-Alanine, conf. I
483465.6612 0.4616 -4.4607 3 463.3382405 89502 303672840 662739 a-Alanine, conf. I
483488.0823 1.4685 -4.9335 3 758.0539525 89502 303872859 862958 a-Alanine, conf. I
483491.1056 0.2211 -5.1044 3 388.4816333 89502 303554015 543915 a-Alanine, conf. I
483491.1056 0.2211 -4.0038 3 388.4816333 89502 303554015 543916 a-Alanine, conf. I
483491.1056 0.2211 -4.0038 3 388.4816333 89502 303554016 543915 a-Alanine, conf. I
483491.1056 0.2211 -5.1044 3 388.4816333 89502 303554016 543916 a-Alanine, conf. I
483565.4695 1.5559 -5.2863 3 482.3496417 89502 303692644 682544 a-Alanine, conf. I
483602.8916 4.2578 -5.1254 3 761.3603519 89502 303863452 853451 a-Alanine, conf. I
483652.0769 1.9608 -5.2855 3 436.2125405 89502 303671948 661848 a-Alanine, conf. I
483657.1895 0.4158 -5.2566 3 463.3382405 89502 303672839 662739 a-Alanine, conf. I
483657.9152 1.9578 -5.2855 3 436.2125405 89502 303672048 661948 a-Alanine, conf. I
483718.4779 10.2268 -4.8338 3 571.0074453 89502 303752848 742747 a-Alanine, conf. I
483728.1603 1.3758 -5.0801 3 745.9224519 89502 303863057 853056 a-Alanine, conf. I
483780.2508 2.4307 -5.3482 3 848.1435531 89502 303884444 874443 a-Alanine, conf. I
483780.2508 2.4307 -5.3482 3 848.1435531 89502 303884445 874444 a-Alanine, conf. I
483870.5426 1.8563 -5.3199 3 512.5798429 89502 303712744 702644 a-Alanine, conf. I
483914.2659 1.1691 -5.1826 3 819.9822567 89502 303941975 931974 a-Alanine, conf. I
483914.2659 1.1691 -4.7186 3 819.9822567 89502 303941975 932074 a-Alanine, conf. I
483914.2659 1.1691 -4.7186 3 819.9822567 89502 303942075 931974 a-Alanine, conf. I
483914.2659 1.1691 -5.1826 3 819.9822567 89502 303942075 932074 a-Alanine, conf. I
483992.0247 1.1310 -5.2006 3 846.6094597 89502 303991287 981286 a-Alanine, conf. I
483992.0247 1.1310 -4.6472 3 846.6094597 89502 303991287 981386 a-Alanine, conf. I
483992.0247 1.1310 -4.6472 3 846.6094597 89502 303991387 981286 a-Alanine, conf. I
483992.0247 1.1310 -5.2006 3 846.6094597 89502 303991387 981386 a-Alanine, conf. I
484043.1558 0.2976 -5.0488 3 378.7225297 89502 3034947 2 4846 2 a-Alanine, conf. I
484043.1558 0.2976 -3.8897 3 378.7225297 89502 3034947 2 4846 3 a-Alanine, conf. I
484043.1558 0.2976 -3.8897 3 378.7225297 89502 3034947 3 4846 2 a-Alanine, conf. I
484043.1558 0.2976 -5.0488 3 378.7225297 89502 3034947 3 4846 3 a-Alanine, conf. I
484105.9736 0.4027 -5.2558 3 463.3169405 89502 303672840 662740 a-Alanine, conf. I
484121.9309 0.2349 -5.1148 3 392.5426339 89502 303563917 553817 a-Alanine, conf. I
484121.9309 0.2349 -4.0261 3 392.5426339 89502 303563917 553818 a-Alanine, conf. I
484121.9309 0.2349 -4.0261 3 392.5426339 89502 303563918 553817 a-Alanine, conf. I
484121.9309 0.2349 -5.1148 3 392.5426339 89502 303563918 553818 a-Alanine, conf. I
484134.5656 4.3827 -5.0191 3 762.0578525 89502 303872958 863057 a-Alanine, conf. I
484187.1209 2.6857 -5.1893 3 872.5830651 89502 303A8 0A8 A7 0A7 a-Alanine, conf. I
484187.1209 2.6857 -4.5514 3 872.5830651 89502 303A8 0A8 A7 1A7 a-Alanine, conf. I
484187.1209 2.6857 -4.5514 3 872.5830651 89502 303A8 1A8 A7 0A7 a-Alanine, conf. I
484187.1209 2.6857 -5.1893 3 872.5830651 89502 303A8 1A8 A7 1A7 a-Alanine, conf. I
484223.8074 1.1191 -5.0993 3 758.0539525 89502 303872959 862958 a-Alanine, conf. I
484285.6322 3.2872 -5.1953 3 791.4555525 89502 303873751 863750 a-Alanine, conf. I
484288.4092 3.2908 -5.1953 3 791.4556525 89502 303873750 863749 a-Alanine, conf. I
484297.5019 0.4378 -4.4594 3 463.3169405 89502 303672839 662740 a-Alanine, conf. I
484384.3177 1.1395 -4.8827 3 769.7861531 89502 303882761 872860 a-Alanine, conf. I
484406.6456 6.7488 -5.0298 3 718.3203507 89502 303843153 833152 a-Alanine, conf. I
484415.8018 1.2775 -5.2036 3 859.0049615 89502 303A2 894 A1 893 a-Alanine, conf. I
484415.8018 1.2775 -4.6155 3 859.0049615 89502 303A2 894 A1 993 a-Alanine, conf. I
484415.8018 1.2775 -4.6155 3 859.0049615 89502 303A2 994 A1 893 a-Alanine, conf. I
484415.8018 1.2775 -5.2036 3 859.0049615 89502 303A2 994 A1 993 a-Alanine, conf. I
484429.9190 2.5381 -5.3272 3 841.7384531 89502 303884345 874344 a-Alanine, conf. I
484429.9190 2.5381 -5.3272 3 841.7384531 89502 303884346 874345 a-Alanine, conf. I
484443.5646 1.1290 -5.1179 3 769.7861531 89502 303882861 872860 a-Alanine, conf. I
484462.1455 1.0828 -5.1264 3 239.4997309 89502 303511239 501140 a-Alanine, conf. I
484462.2836 1.0828 -5.1264 3 239.4997309 89502 303511339 501040 a-Alanine, conf. I
484497.9196 1.1235 -5.1178 3 769.7824531 89502 303882761 872760 a-Alanine, conf. I
484503.0375 1.7820 -5.1998 3 867.6834633 89502 303A5 4A1 A4 4A0 a-Alanine, conf. I
484503.0375 1.7820 -4.5841 3 867.6834633 89502 303A5 4A1 A4 5A0 a-Alanine, conf. I
484503.0375 1.7820 -4.5841 3 867.6834633 89502 303A5 5A1 A4 4A0 a-Alanine, conf. I
484503.0375 1.7820 -5.1998 3 867.6834633 89502 303A5 5A1 A4 5A0 a-Alanine, conf. I
484557.1664 1.1200 -4.8824 3 769.7824531 89502 303882861 872760 a-Alanine, conf. I
484605.9889 0.8059 -5.3969 3 370.6958393 89502 303651055 64 955 a-Alanine, conf. I
484605.9889 0.8059 -5.3969 3 370.6958393 89502 303651155 641055 a-Alanine, conf. I
484617.4279 1.7459 -4.9936 3 268.3477321 89502 303531538 521439 a-Alanine, conf. I
484619.6312 1.1734 -4.7632 3 807.2511555 89502 303922270 912369 a-Alanine, conf. I
484619.6312 1.1734 -5.1697 3 807.2511555 89502 303922370 912369 a-Alanine, conf. I
484619.6313 1.1734 -5.1697 3 807.2511555 89502 303922270 912269 a-Alanine, conf. I
484619.6313 1.1734 -4.7632 3 807.2511555 89502 303922370 912269 a-Alanine, conf. I
484624.8406 1.1459 -5.1988 3 838.9027585 89502 303971582 961581 a-Alanine, conf. I
484624.8406 1.1459 -4.6779 3 838.9027585 89502 303971582 961681 a-Alanine, conf. I
484624.8406 1.1459 -4.6779 3 838.9027585 89502 303971682 961581 a-Alanine, conf. I
484624.8406 1.1459 -5.1988 3 838.9027585 89502 303971682 961681 a-Alanine, conf. I
484655.0722 1.7362 -4.9935 3 268.3477321 89502 303531638 521339 a-Alanine, conf. I
484691.7429 1.2251 -5.3127 3 406.9288399 89502 303661551 651451 a-Alanine, conf. I
484691.7437 1.2251 -5.3127 3 406.9288399 89502 303661651 651551 a-Alanine, conf. I
484723.2509 0.2504 -5.1255 3 396.9697345 89502 303573819 563719 a-Alanine, conf. I
484723.2509 0.2504 -4.0498 3 396.9697345 89502 303573819 563720 a-Alanine, conf. I
484723.2509 0.2504 -4.0498 3 396.9697345 89502 303573820 563719 a-Alanine, conf. I
484723.2509 0.2504 -5.1255 3 396.9697345 89502 303573820 563720 a-Alanine, conf. I
484760.2243 0.2596 -5.0568 3 380.4928303 89502 3035046 4 4945 4 a-Alanine, conf. I
484760.2243 0.2596 -3.9049 3 380.4928303 89502 3035046 4 4945 5 a-Alanine, conf. I
484760.2243 0.2596 -3.9049 3 380.4928303 89502 3035046 5 4945 4 a-Alanine, conf. I
484760.2243 0.2596 -5.0568 3 380.4928303 89502 3035046 5 4945 5 a-Alanine, conf. I
484764.0516 1.5708 -4.5624 3 472.6033411 89502 303682741 672642 a-Alanine, conf. I
484812.9559 1.1246 -5.0980 3 758.0097525 89502 303872859 862858 a-Alanine, conf. I
484978.6496 1.1500 -4.8495 3 781.1312537 89502 303892663 882762 a-Alanine, conf. I
484982.4536 1.1495 -5.1348 3 781.1312537 89502 303892763 882762 a-Alanine, conf. I
484986.3022 1.1491 -5.1348 3 781.1310537 89502 303892663 882662 a-Alanine, conf. I
484990.1062 1.1486 -4.8495 3 781.1310537 89502 303892763 882662 a-Alanine, conf. I
485055.6408 10.1847 -5.1349 3 782.2176531 89502 303883058 873157 a-Alanine, conf. I
485146.1220 2.6545 -5.3068 3 835.5276531 89502 303884247 874246 a-Alanine, conf. I
485146.1221 2.6545 -5.3068 3 835.5276531 89502 303884246 874245 a-Alanine, conf. I
485148.6884 3.8605 -5.1091 3 757.1883519 89502 303863354 853353 a-Alanine, conf. I
485199.9189 1.1739 -5.1926 3 829.0928573 89502 303951877 941876 a-Alanine, conf. I
485199.9189 1.1739 -4.7119 3 829.0928573 89502 303951877 941976 a-Alanine, conf. I
485199.9189 1.1739 -4.7119 3 829.0928573 89502 303951977 941876 a-Alanine, conf. I
485199.9189 1.1739 -5.1926 3 829.0928573 89502 303951977 941976 a-Alanine, conf. I
485227.3716 1.9927 -5.0455 3 729.3736513 89502 303852956 842955 a-Alanine, conf. I
485231.6464 1.1519 -5.2073 3 854.0783603 89502 303A01189 991188 a-Alanine, conf. I
485231.6464 1.1519 -4.6442 3 854.0783603 89502 303A01189 991288 a-Alanine, conf. I
485231.6464 1.1519 -4.6442 3 854.0783603 89502 303A01289 991188 a-Alanine, conf. I
485231.6464 1.1519 -5.2073 3 854.0783603 89502 303A01289 991288 a-Alanine, conf. I
485280.1899 2.5873 -5.2862 3 456.2312411 89502 303682147 672047 a-Alanine, conf. I
485286.8465 0.2669 -5.1367 3 401.7677351 89502 303583721 573621 a-Alanine, conf. I
485286.8465 0.2669 -4.0751 3 401.7677351 89502 303583721 573622 a-Alanine, conf. I
485286.8465 0.2669 -4.0751 3 401.7677351 89502 303583722 573621 a-Alanine, conf. I
485286.8465 0.2669 -5.1367 3 401.7677351 89502 303583722 573622 a-Alanine, conf. I
485295.7790 2.2669 -5.5575 3 234.1071291 89502 303482128 471829 a-Alanine, conf. I
485377.2606 1.8040 -5.5765 3 930.0102537 89502 303895336 885335 a-Alanine, conf. I
485377.2606 1.8040 -5.5765 3 930.0102537 89502 303895337 885336 a-Alanine, conf. I
485406.6283 6.7339 -5.0685 3 737.5325513 89502 303853253 843252 a-Alanine, conf. I
485456.7491 2.4987 -5.2859 3 456.2334411 89502 303682247 672147 a-Alanine, conf. I
485470.8753 0.2324 -5.0651 3 382.6112309 89502 3035145 6 5044 6 a-Alanine, conf. I
485470.8753 0.2324 -3.9210 3 382.6112309 89502 3035145 6 5044 7 a-Alanine, conf. I
485470.8753 0.2324 -3.9210 3 382.6112309 89502 3035145 7 5044 6 a-Alanine, conf. I
485470.8753 0.2324 -5.0651 3 382.6112309 89502 3035145 7 5044 7 a-Alanine, conf. I
485548.6810 1.4785 -4.9294 3 758.0097525 89502 303872959 862858 a-Alanine, conf. I
485557.4192 1.9873 -5.2032 3 873.2921639 89502 303A6 3A3 A5 3A2 a-Alanine, conf. I
485557.4192 1.9873 -4.5815 3 873.2921639 89502 303A6 3A3 A5 4A2 a-Alanine, conf. I
485557.4192 1.9873 -4.5815 3 873.2921639 89502 303A6 4A3 A5 3A2 a-Alanine, conf. I
485557.4192 1.9873 -5.2032 3 873.2921639 89502 303A6 4A3 A5 4A2 a-Alanine, conf. I
485573.0358 1.3768 -5.2087 3 865.5511621 89502 303A3 796 A2 795 a-Alanine, conf. I
485573.0358 1.3768 -4.6129 3 865.5511621 89502 303A3 796 A2 895 a-Alanine, conf. I
485573.0358 1.3768 -4.6129 3 865.5511621 89502 303A3 896 A2 795 a-Alanine, conf. I
485573.0358 1.3768 -5.2087 3 865.5511621 89502 303A3 896 A2 895 a-Alanine, conf. I
485575.1430 0.3919 -4.3864 3 454.6122399 89502 303662938 652837 a-Alanine, conf. I
485586.5268 0.3934 -5.2403 3 454.6122399 89502 303662937 652837 a-Alanine, conf. I
485618.4207 0.3976 -5.2403 3 454.6108399 89502 303662938 652838 a-Alanine, conf. I
485629.8045 0.3995 -4.3863 3 454.6108399 89502 303662937 652838 a-Alanine, conf. I
485706.8917 1.8718 -5.5504 3 921.9998537 89502 303895237 885236 a-Alanine, conf. I
485706.8917 1.8718 -5.5504 3 921.9998537 89502 303895238 885237 a-Alanine, conf. I
485745.5482 3.5316 -5.1772 3 786.5209525 89502 303873652 863651 a-Alanine, conf. I
485766.3671 3.5567 -5.1772 3 786.5216525 89502 303873651 863650 a-Alanine, conf. I
485792.3722 1.1661 -4.8252 3 792.1365543 89502 303902565 892664 a-Alanine, conf. I
485792.5740 1.1661 -5.1502 3 792.1365543 89502 303902665 892664 a-Alanine, conf. I
485792.7948 1.1661 -5.1502 3 792.1365543 89502 303902565 892564 a-Alanine, conf. I
485792.9965 1.1660 -4.8252 3 792.1365543 89502 303902665 892564 a-Alanine, conf. I
485801.9028 0.2843 -5.1482 3 406.9424357 89502 303593623 583523 a-Alanine, conf. I
485801.9028 0.2843 -4.1023 3 406.9424357 89502 303593623 583524 a-Alanine, conf. I
485801.9028 0.2843 -4.1023 3 406.9424357 89502 303593624 583523 a-Alanine, conf. I
485801.9028 0.2843 -5.1482 3 406.9424357 89502 303593624 583524 a-Alanine, conf. I
485835.7176 1.1850 -5.1816 3 817.1168561 89502 303932172 922171 a-Alanine, conf. I
485835.7176 1.1850 -4.7526 3 817.1168561 89502 303932172 922271 a-Alanine, conf. I
485835.7176 1.1850 -4.7526 3 817.1168561 89502 303932272 922171 a-Alanine, conf. I
485835.7176 1.1850 -5.1816 3 817.1168561 89502 303932272 922271 a-Alanine, conf. I
485847.1672 0.8134 -5.4257 3 365.2577393 89502 30365 956 64 856 a-Alanine, conf. I
485847.1672 0.8134 -5.4257 3 365.2577393 89502 303651056 64 956 a-Alanine, conf. I
485904.5863 1.1470 -5.2069 3 847.0732591 89502 303981484 971483 a-Alanine, conf. I
485904.5863 1.1470 -4.6739 3 847.0732591 89502 303981484 971583 a-Alanine, conf. I
485904.5863 1.1470 -4.6739 3 847.0732591 89502 303981584 971483 a-Alanine, conf. I
485904.5863 1.1470 -5.2069 3 847.0732591 89502 303981584 971583 a-Alanine, conf. I
485940.5328 2.7822 -5.2868 3 829.5161531 89502 303884148 874147 a-Alanine, conf. I
485940.5335 2.7822 -5.2868 3 829.5161531 89502 303884147 874146 a-Alanine, conf. I
486043.1401 0.9644 -5.3310 3 526.3459435 89502 303722745 712645 a-Alanine, conf. I
486060.5327 1.9432 -5.5249 3 914.1619537 89502 303895138 885137 a-Alanine, conf. I
486060.5327 1.9432 -5.5249 3 914.1619537 89502 303895139 885138 a-Alanine, conf. I
486111.9817 0.7930 -5.2532 3 223.2847303 89502 303501040 49 941 a-Alanine, conf. I
486111.9831 0.7930 -5.2532 3 223.2847303 89502 303501140 49 841 a-Alanine, conf. I
486145.6739 2.2477 -5.0845 3 749.6192519 89502 303863156 853155 a-Alanine, conf. I
486172.2449 2.8985 -5.2912 3 475.9571417 89502 303692446 682346 a-Alanine, conf. I
486173.4979 0.2162 -5.0739 3 385.0793315 89502 3035244 8 5143 8 a-Alanine, conf. I
486173.4979 0.2162 -3.9380 3 385.0793315 89502 3035244 8 5143 9 a-Alanine, conf. I
486173.4979 0.2162 -3.9380 3 385.0793315 89502 3035244 9 5143 8 a-Alanine, conf. I
486173.4979 0.2162 -5.0739 3 385.0793315 89502 3035244 9 5143 9 a-Alanine, conf. I
486208.7799 1.7464 -5.2924 3 432.0255405 89502 303671849 661749 a-Alanine, conf. I
486209.3928 1.7461 -5.2924 3 432.0255405 89502 303671949 661849 a-Alanine, conf. I
486253.9749 0.3025 -5.1600 3 412.5009363 89502 303603525 593425 a-Alanine, conf. I
486253.9749 0.3025 -4.1315 3 412.5009363 89502 303603525 593426 a-Alanine, conf. I
486253.9749 0.3025 -4.1315 3 412.5009363 89502 303603526 593425 a-Alanine, conf. I
486253.9749 0.3025 -5.1600 3 412.5009363 89502 303603526 593426 a-Alanine, conf. I
486425.3538 1.0998 -5.3262 3 402.1470399 89502 303661452 651352 a-Alanine, conf. I
486425.3538 1.0998 -5.3262 3 402.1470399 89502 303661552 651452 a-Alanine, conf. I
486440.6107 2.0184 -5.5001 3 906.4980537 89502 303895039 885038 a-Alanine, conf. I
486440.6107 2.0184 -5.5001 3 906.4980537 89502 303895040 885039 a-Alanine, conf. I
486451.5860 1.1876 -5.2136 3 861.3273609 89502 303A11091 A01090 a-Alanine, conf. I
486451.5860 1.1876 -4.6414 3 861.3273609 89502 303A11091 A01190 a-Alanine, conf. I
486451.5860 1.1876 -4.6414 3 861.3273609 89502 303A11191 A01090 a-Alanine, conf. I
486451.5860 1.1876 -5.2136 3 861.3273609 89502 303A11191 A01190 a-Alanine, conf. I
486484.5369 0.3922 -4.3280 3 446.4495393 89502 303653036 642935 a-Alanine, conf. I
486485.0542 0.3923 -5.2255 3 446.4495393 89502 303653035 642935 a-Alanine, conf. I
486486.7224 0.3926 -5.2255 3 446.4494393 89502 303653036 642936 a-Alanine, conf. I
486487.2396 0.3927 -4.3280 3 446.4494393 89502 303653035 642936 a-Alanine, conf. I
486491.4881 1.1763 -5.2022 3 837.9755579 89502 303961779 951778 a-Alanine, conf. I
486491.4881 1.1763 -4.7063 3 837.9755579 89502 303961779 951878 a-Alanine, conf. I
486491.4881 1.1763 -4.7063 3 837.9755579 89502 303961879 951778 a-Alanine, conf. I
486491.4881 1.1763 -5.2022 3 837.9755579 89502 303961879 951878 a-Alanine, conf. I
486494.0446 3.3188 -5.0944 3 753.3126519 89502 303863255 853254 a-Alanine, conf. I
486581.4794 2.2194 -5.2063 3 878.6715645 89502 303A7 2A5 A6 2A4 a-Alanine, conf. I
486581.4794 2.2194 -4.5789 3 878.6715645 89502 303A7 2A5 A6 3A4 a-Alanine, conf. I
486581.4794 2.2194 -4.5789 3 878.6715645 89502 303A7 3A5 A6 2A4 a-Alanine, conf. I
486581.4794 2.2194 -5.2063 3 878.6715645 89502 303A7 3A5 A6 3A4 a-Alanine, conf. I
486623.3926 0.3216 -5.1723 3 418.4518369 89502 303613427 603327 a-Alanine, conf. I
486623.3926 0.3216 -4.1632 3 418.4518369 89502 303613427 603328 a-Alanine, conf. I
486623.3926 0.3216 -4.1632 3 418.4518369 89502 303613428 603327 a-Alanine, conf. I
486623.3926 0.3216 -5.1723 3 418.4518369 89502 303613428 603328 a-Alanine, conf. I
486704.2516 1.5031 -5.2134 3 871.8742627 89502 303A4 698 A3 697 a-Alanine, conf. I
486704.2516 1.5031 -4.6104 3 871.8742627 89502 303A4 698 A3 797 a-Alanine, conf. I
486704.2516 1.5031 -4.6104 3 871.8742627 89502 303A4 798 A3 697 a-Alanine, conf. I
486704.2516 1.5031 -5.2134 3 871.8742627 89502 303A4 798 A3 797 a-Alanine, conf. I
486729.9461 0.6460 -5.4210 3 207.0492297 89502 30349 841 48 742 a-Alanine, conf. I
486729.9461 0.6460 -5.4210 3 207.0492297 89502 30349 941 48 642 a-Alanine, conf. I
486778.1425 1.1807 -4.8064 3 802.8376549 89502 303912467 902566 a-Alanine, conf. I
486778.1515 1.1807 -5.1645 3 802.8376549 89502 303912567 902566 a-Alanine, conf. I
486778.1621 1.1807 -5.1645 3 802.8376549 89502 303912467 902466 a-Alanine, conf. I
486778.1711 1.1807 -4.8064 3 802.8376549 89502 303912567 902466 a-Alanine, conf. I
486795.2314 1.9522 -4.9158 3 323.8620345 89502 303572137 561838 a-Alanine, conf. I
486828.3194 2.9244 -5.2673 3 823.7101531 89502 303884049 874048 a-Alanine, conf. I
486828.3274 2.9244 -5.2673 3 823.7101531 89502 303884048 874047 a-Alanine, conf. I
486849.9228 2.0975 -5.4759 3 899.0098537 89502 303894940 884939 a-Alanine, conf. I
486849.9228 2.0975 -5.4759 3 899.0098537 89502 303894941 884940 a-Alanine, conf. I
486866.0544 0.2102 -5.0830 3 387.8990321 89502 303534310 524210 a-Alanine, conf. I
486866.0544 0.2102 -3.9560 3 387.8990321 89502 303534310 524211 a-Alanine, conf. I
486866.0544 0.2102 -3.9560 3 387.8990321 89502 303534311 524210 a-Alanine, conf. I
486866.0544 0.2102 -5.0830 3 387.8990321 89502 303534311 524211 a-Alanine, conf. I
486882.6886 0.3413 -5.1849 3 424.8060375 89502 303623329 613229 a-Alanine, conf. I
486882.6886 0.3413 -4.1979 3 424.8060375 89502 303623330 613229 a-Alanine, conf. I
486882.6887 0.3413 -4.1979 3 424.8060375 89502 303623329 613230 a-Alanine, conf. I
486882.6887 0.3413 -5.1849 3 424.8060375 89502 303623330 613230 a-Alanine, conf. I
486892.0312 0.3792 -4.2789 3 438.7833387 89502 303643134 633033 a-Alanine, conf. I
486892.0496 0.3792 -5.2115 3 438.7833387 89502 303643133 633033 a-Alanine, conf. I
486892.1164 0.3793 -5.2115 3 438.7833387 89502 303643134 633034 a-Alanine, conf. I
486892.1348 0.3793 -4.2789 3 438.7833387 89502 303643133 633034 a-Alanine, conf. I
486991.2438 8.9568 -4.8135 3 426.1763393 89502 303652441 642342 a-Alanine, conf. I
486992.2109 0.3611 -4.2361 3 431.5771381 89502 303633232 623131 a-Alanine, conf. I
486992.2114 0.3611 -5.1979 3 431.5771381 89502 303633231 623131 a-Alanine, conf. I
486992.2135 0.3611 -5.1979 3 431.5771381 89502 303633232 623132 a-Alanine, conf. I
486992.2140 0.3611 -4.2361 3 431.5771381 89502 303633231 623132 a-Alanine, conf. I
487021.2849 0.8512 -5.4598 3 359.6759393 89502 30365 857 64 757 a-Alanine, conf. I
487021.2849 0.8512 -5.4598 3 359.6759393 89502 30365 957 64 857 a-Alanine, conf. I
487087.6012 1.1945 -5.1928 3 826.7387567 89502 303942074 932073 a-Alanine, conf. I
487087.6012 1.1945 -4.7439 3 826.7387567 89502 303942074 932173 a-Alanine, conf. I
487087.6012 1.1945 -4.7439 3 826.7387567 89502 303942174 932073 a-Alanine, conf. I
487087.6012 1.1945 -5.1928 3 826.7387567 89502 303942174 932173 a-Alanine, conf. I
487171.9115 1.1518 -5.2145 3 855.0234597 89502 303991386 981385 a-Alanine, conf. I
487171.9115 1.1518 -4.6704 3 855.0234597 89502 303991386 981485 a-Alanine, conf. I
487171.9115 1.1518 -4.6704 3 855.0234597 89502 303991486 981385 a-Alanine, conf. I
487171.9115 1.1518 -5.2145 3 855.0234597 89502 303991486 981485 a-Alanine, conf. I
487214.3370 5.6430 -5.1053 3 757.2795519 89502 303863353 853352 a-Alanine, conf. I
487253.5381 0.7173 -5.2836 3 485.4432417 89502 303692743 682643 a-Alanine, conf. I
487291.7176 2.1808 -5.4523 3 891.6993537 89502 303894841 884840 a-Alanine, conf. I
487291.7176 2.1808 -5.4523 3 891.6993537 89502 303894842 884841 a-Alanine, conf. I
487336.6439 2.0667 -4.9639 3 281.2258327 89502 303541638 531539 a-Alanine, conf. I
487397.2048 0.6647 -4.4942 3 475.9434411 89502 303682841 672740 a-Alanine, conf. I
487466.0704 0.5556 -5.5203 3 231.3251291 89502 303482028 471731 a-Alanine, conf. I
487471.9995 3.8112 -5.1593 3 781.8487525 89502 303873553 863552 a-Alanine, conf. I
487490.9191 2.0263 -4.9636 3 281.2257327 89502 303541738 531439 a-Alanine, conf. I
487545.9656 0.2128 -5.0925 3 391.0728327 89502 303544212 534112 a-Alanine, conf. I
487545.9656 0.2128 -3.9751 3 391.0728327 89502 303544212 534113 a-Alanine, conf. I
487545.9656 0.2128 -3.9751 3 391.0728327 89502 303544213 534112 a-Alanine, conf. I
487545.9656 0.2128 -5.0925 3 391.0728327 89502 303544213 534113 a-Alanine, conf. I
487574.2585 2.4779 -5.2090 3 883.8194651 89502 303A8 1A7 A7 1A6 a-Alanine, conf. I
487574.2585 2.4779 -4.5762 3 883.8194651 89502 303A8 1A7 A7 2A6 a-Alanine, conf. I
487574.2585 2.4779 -4.5762 3 883.8194651 89502 303A8 2A7 A7 1A6 a-Alanine, conf. I
487574.2585 2.4779 -5.2090 3 883.8194651 89502 303A8 2A7 A7 2A6 a-Alanine, conf. I
487608.6938 3.9637 -5.1591 3 781.8535525 89502 303873552 863551 a-Alanine, conf. I
487649.8621 1.2422 -5.2196 3 868.3560615 89502 303A2 993 A1 992 a-Alanine, conf. I
487649.8621 1.2422 -4.6388 3 868.3560615 89502 303A2 993 A11092 a-Alanine, conf. I
487649.8621 1.2422 -4.6388 3 868.3560615 89502 303A21093 A1 992 a-Alanine, conf. I
487649.8621 1.2422 -5.2196 3 868.3560615 89502 303A21093 A11092 a-Alanine, conf. I
487692.4197 4.2138 -4.9138 3 320.9328345 89502 303571938 561839 a-Alanine, conf. I
487769.7993 2.2686 -5.4293 3 884.5685537 89502 303894742 884741 a-Alanine, conf. I
487769.7993 2.2686 -5.4293 3 884.5685537 89502 303894743 884742 a-Alanine, conf. I
487782.5911 1.1769 -5.2113 3 846.6332585 89502 303971681 961680 a-Alanine, conf. I
487782.5911 1.1769 -4.7015 3 846.6332585 89502 303971681 961780 a-Alanine, conf. I
487782.5911 1.1769 -4.7015 3 846.6332585 89502 303971781 961680 a-Alanine, conf. I
487782.5911 1.1769 -5.2113 3 846.6332585 89502 303971781 961780 a-Alanine, conf. I
487784.8048 0.5103 -5.2693 3 475.9434411 89502 303682840 672740 a-Alanine, conf. I
487808.1490 1.6574 -5.2177 3 877.9726633 89502 303A5 5A0 A4 599 a-Alanine, conf. I
487808.1490 1.6574 -4.6080 3 877.9726633 89502 303A5 5A0 A4 699 a-Alanine, conf. I
487808.1490 1.6574 -4.6080 3 877.9726633 89502 303A5 6A0 A4 599 a-Alanine, conf. I
487808.1490 1.6574 -5.2177 3 877.9726633 89502 303A5 6A0 A4 699 a-Alanine, conf. I
487829.7794 3.0857 -5.2482 3 818.1169531 89502 303883950 873949 a-Alanine, conf. I
487829.8587 3.0859 -5.2482 3 818.1169531 89502 303883949 873948 a-Alanine, conf. I
487877.2951 1.1945 -4.7916 3 813.2587555 89502 303922369 912468 a-Alanine, conf. I
487877.2954 1.1945 -5.1779 3 813.2587555 89502 303922469 912468 a-Alanine, conf. I
487877.2959 1.1945 -5.1779 3 813.2587555 89502 303922369 912368 a-Alanine, conf. I
487877.2962 1.1945 -4.7916 3 813.2587555 89502 303922469 912368 a-Alanine, conf. I
487900.1938 3.0174 -5.0111 3 715.7349507 89502 303843054 833053 a-Alanine, conf. I
487905.7734 1.9341 -5.0705 3 745.5590519 89502 303862957 852956 a-Alanine, conf. I
488016.2334 1.2913 -4.9356 3 774.2058531 89502 303882860 872959 a-Alanine, conf. I
488027.7625 0.9954 -5.3418 3 397.2055399 89502 303661353 651253 a-Alanine, conf. I
488027.7625 0.9954 -5.3418 3 397.2055399 89502 303661453 651353 a-Alanine, conf. I
488119.2385 12.2820 -4.9405 3 647.8980483 89502 303802952 792851 a-Alanine, conf. I
488135.7350 0.9151 -5.5005 3 353.9526393 89502 30365 758 64 658 a-Alanine, conf. I
488135.7350 0.9151 -5.5005 3 353.9526393 89502 30365 858 64 758 a-Alanine, conf. I
488139.9486 1.2717 -5.1008 3 762.0578525 89502 303873058 863057 a-Alanine, conf. I
488209.9604 0.2214 -5.1023 3 394.6033333 89502 303554114 544014 a-Alanine, conf. I
488209.9604 0.2214 -3.9953 3 394.6033333 89502 303554114 544015 a-Alanine, conf. I
488209.9604 0.2214 -3.9953 3 394.6033333 89502 303554115 544014 a-Alanine, conf. I
488209.9604 0.2214 -5.1023 3 394.6033333 89502 303554115 544015 a-Alanine, conf. I
488288.6662 2.3616 -5.4069 3 877.6198537 89502 303894643 884642 a-Alanine, conf. I
488288.6662 2.3616 -5.4069 3 877.6198537 89502 303894644 884643 a-Alanine, conf. I
488361.6771 1.2016 -5.2035 3 836.1238573 89502 303951976 941975 a-Alanine, conf. I
488361.6771 1.2016 -4.7366 3 836.1238573 89502 303951976 942075 a-Alanine, conf. I
488361.6771 1.2016 -4.7366 3 836.1238573 89502 303952076 941975 a-Alanine, conf. I
488361.6771 1.2016 -5.2035 3 836.1238573 89502 303952076 942075 a-Alanine, conf. I
488418.0575 1.1461 -5.1205 3 774.2058531 89502 303882960 872959 a-Alanine, conf. I
488423.8181 1.1636 -5.2218 3 862.7536603 89502 303A01288 991287 a-Alanine, conf. I
488423.8181 1.1636 -4.6674 3 862.7536603 89502 303A01288 991387 a-Alanine, conf. I
488423.8181 1.1636 -4.6674 3 862.7536603 89502 303A01388 991287 a-Alanine, conf. I
488423.8181 1.1636 -5.2218 3 862.7536603 89502 303A01388 991387 a-Alanine, conf. I
488473.6043 1.5608 -5.3008 3 427.6501405 89502 303671750 661650 a-Alanine, conf. I
488473.6605 1.5607 -5.3008 3 427.6501405 89502 303671850 661750 a-Alanine, conf. I
488534.8573 2.7621 -5.2113 3 888.7337657 89502 303A9 0A9 A8 0A8 a-Alanine, conf. I
488534.8573 2.7621 -4.5734 3 888.7337657 89502 303A9 0A9 A8 1A8 a-Alanine, conf. I
488534.8573 2.7621 -4.5734 3 888.7337657 89502 303A9 1A9 A8 0A8 a-Alanine, conf. I
488534.8573 2.7621 -5.2113 3 888.7337657 89502 303A9 1A9 A8 1A8 a-Alanine, conf. I
488628.3849 1.2834 -5.0787 3 252.0488315 89502 303521339 511240 a-Alanine, conf. I
488629.1446 1.2832 -5.0787 3 252.0488315 89502 303521439 511140 a-Alanine, conf. I
488639.6696 0.4220 -5.2678 3 475.9019411 89502 303682841 672741 a-Alanine, conf. I
488667.8308 1.1694 -4.8912 3 785.9454537 89502 303892762 882861 a-Alanine, conf. I
488680.2675 5.4306 -4.6798 3 469.5070411 89502 303682642 672543 a-Alanine, conf. I
488687.5160 2.2401 -5.2903 3 452.3454411 89502 303682048 671948 a-Alanine, conf. I
488698.3782 1.1644 -5.1390 3 785.9454537 89502 303892862 882861 a-Alanine, conf. I
488711.5035 2.2274 -5.2902 3 452.3456411 89502 303682148 672048 a-Alanine, conf. I
488726.9347 0.3309 -5.0483 3 385.9922297 89502 3034948 1 4847 1 a-Alanine, conf. I
488726.9347 0.3309 -3.8857 3 385.9922297 89502 3034948 1 4847 2 a-Alanine, conf. I
488726.9347 0.3309 -3.8857 3 385.9922297 89502 3034948 2 4847 1 a-Alanine, conf. I
488726.9347 0.3309 -5.0483 3 385.9922297 89502 3034948 2 4847 2 a-Alanine, conf. I
488727.0777 1.1612 -5.1389 3 785.9435537 89502 303892762 882761 a-Alanine, conf. I
488751.9585 1.1349 -5.1198 3 774.1813531 89502 303882860 872859 a-Alanine, conf. I
488757.6250 1.1582 -4.8910 3 785.9435537 89502 303892862 882761 a-Alanine, conf. I
488775.4150 7.1461 -4.9098 3 359.2174363 89502 303602139 592040 a-Alanine, conf. I
488824.7253 1.3196 -5.2252 3 875.1633621 89502 303A3 895 A2 894 a-Alanine, conf. I
488824.7253 1.3196 -4.6364 3 875.1633621 89502 303A3 895 A2 994 a-Alanine, conf. I
488824.7253 1.3196 -4.6364 3 875.1633621 89502 303A3 995 A2 894 a-Alanine, conf. I
488824.7253 1.3196 -5.2252 3 875.1633621 89502 303A3 995 A2 994 a-Alanine, conf. I
488853.6962 2.4604 -5.3850 3 870.8561537 89502 303894544 884543 a-Alanine, conf. I
488853.6962 2.4604 -5.3850 3 870.8561537 89502 303894545 884544 a-Alanine, conf. I
488853.8740 0.2339 -5.1126 3 398.4936339 89502 303564016 553916 a-Alanine, conf. I
488853.8740 0.2339 -4.0167 3 398.4936339 89502 303564016 553917 a-Alanine, conf. I
488853.8740 0.2339 -4.0167 3 398.4936339 89502 303564017 553916 a-Alanine, conf. I
488853.8740 0.2339 -5.1126 3 398.4936339 89502 303564017 553917 a-Alanine, conf. I
488883.5387 1.8397 -5.2216 3 883.8447639 89502 303A6 4A2 A5 4A1 a-Alanine, conf. I
488883.5387 1.8397 -4.6057 3 883.8447639 89502 303A6 4A2 A5 5A1 a-Alanine, conf. I
488883.5387 1.8397 -4.6057 3 883.8447639 89502 303A6 5A2 A5 4A1 a-Alanine, conf. I
488883.5387 1.8397 -5.2216 3 883.8447639 89502 303A6 5A2 A5 5A1 a-Alanine, conf. I
488972.9830 3.2733 -5.2296 3 812.7460531 89502 303883851 873850 a-Alanine, conf. I
488973.6954 3.2743 -5.2296 3 812.7460531 89502 303883850 873849 a-Alanine, conf. I
489027.2695 0.5198 -4.4917 3 475.9019411 89502 303682840 672741 a-Alanine, conf. I
489051.5488 1.2073 -5.1906 3 823.4163561 89502 303932271 922270 a-Alanine, conf. I
489051.5488 1.2073 -4.7796 3 823.4163561 89502 303932271 922370 a-Alanine, conf. I
489051.5488 1.2073 -5.1906 3 823.4163561 89502 303932371 922370 a-Alanine, conf. I
489051.5489 1.2073 -4.7796 3 823.4163561 89502 303932371 922270 a-Alanine, conf. I
489068.0092 8.7001 -4.7858 3 556.6607447 89502 303742847 732746 a-Alanine, conf. I
489068.1348 1.1769 -5.2199 3 855.0680591 89502 303981583 971582 a-Alanine, conf. I
489068.1348 1.1769 -4.6973 3 855.0680591 89502 303981583 971682 a-Alanine, conf. I
489068.1348 1.1769 -4.6973 3 855.0680591 89502 303981683 971582 a-Alanine, conf. I
489068.1348 1.1769 -5.2199 3 855.0680591 89502 303981683 971682 a-Alanine, conf. I
489153.7825 1.2488 -4.9333 3 774.1813531 89502 303882960 872859 a-Alanine, conf. I
489196.7628 0.9996 -5.5501 3 348.0894393 89502 30365 659 64 559 a-Alanine, conf. I
489196.7628 0.9996 -5.5501 3 348.0894393 89502 30365 759 64 659 a-Alanine, conf. I
489233.6660 2.4906 -4.9400 3 294.2876333 89502 303551738 541639 a-Alanine, conf. I
489307.5709 1.1846 -4.8611 3 797.3085543 89502 303902664 892763 a-Alanine, conf. I
489309.4452 1.1844 -5.1558 3 797.3085543 89502 303902764 892763 a-Alanine, conf. I
489311.3749 1.1842 -5.1557 3 797.3084543 89502 303902664 892663 a-Alanine, conf. I
489313.2492 1.1839 -4.8611 3 797.3084543 89502 303902764 892663 a-Alanine, conf. I
489336.7829 3.0983 -5.2946 3 472.4184417 89502 303692247 682147 a-Alanine, conf. I
489444.9383 4.0316 -5.1417 3 777.4613525 89502 303873454 863453 a-Alanine, conf. I
489446.2575 0.2869 -5.0560 3 387.6012303 89502 3035047 3 4946 3 a-Alanine, conf. I
489446.2575 0.2869 -3.9004 3 387.6012303 89502 3035047 3 4946 4 a-Alanine, conf. I
489446.2575 0.2869 -3.9004 3 387.6012303 89502 3035047 4 4946 3 a-Alanine, conf. I
489446.2575 0.2869 -5.0560 3 387.6012303 89502 3035047 4 4946 4 a-Alanine, conf. I
489471.4013 2.5661 -5.3637 3 864.2806537 89502 303894445 884444 a-Alanine, conf. I
489471.4013 2.5661 -5.3637 3 864.2806537 89502 303894446 884445 a-Alanine, conf. I
489472.3751 0.2488 -5.1232 3 402.7474345 89502 303573918 563818 a-Alanine, conf. I
489472.3751 0.2488 -4.0395 3 402.7474345 89502 303573918 563819 a-Alanine, conf. I
489472.3751 0.2488 -4.0395 3 402.7474345 89502 303573919 563818 a-Alanine, conf. I
489472.3751 0.2488 -5.1232 3 402.7474345 89502 303573919 563819 a-Alanine, conf. I
489518.7679 0.9153 -5.3599 3 392.1088399 89502 303661254 651154 a-Alanine, conf. I
489518.7679 0.9153 -5.3599 3 392.1088399 89502 303661354 651254 a-Alanine, conf. I
489587.0079 0.9526 -5.3422 3 540.3298441 89502 303732746 722646 a-Alanine, conf. I
489647.8477 1.2061 -5.2137 3 845.2774579 89502 303961878 951877 a-Alanine, conf. I
489647.8477 1.2061 -4.7305 3 845.2774579 89502 303961878 951977 a-Alanine, conf. I
489647.8477 1.2061 -4.7305 3 845.2774579 89502 303961978 951877 a-Alanine, conf. I
489647.8477 1.2061 -5.2137 3 845.2774579 89502 303961978 951977 a-Alanine, conf. I
489657.7504 1.1863 -5.2287 3 870.2638609 89502 303A11190 A01189 a-Alanine, conf. I
489657.7504 1.1863 -4.6646 3 870.2638609 89502 303A11190 A01289 a-Alanine, conf. I
489657.7504 1.1863 -4.6646 3 870.2638609 89502 303A11290 A01189 a-Alanine, conf. I
489657.7504 1.1863 -5.2287 3 870.2638609 89502 303A11290 A01289 a-Alanine, conf. I
489745.2294 3.1348 -4.9228 3 307.5259339 89502 303561838 551739 a-Alanine, conf. I
489810.8606 2.3389 -4.9392 3 294.2870333 89502 303551838 541539 a-Alanine, conf. I
489834.1759 2.0044 -5.2984 3 495.3665423 89502 303702645 692545 a-Alanine, conf. I
489929.3247 2.0497 -5.2252 3 889.4885645 89502 303A7 3A4 A6 3A3 a-Alanine, conf. I
489929.3247 2.0497 -4.6033 3 889.4885645 89502 303A7 3A4 A6 4A3 a-Alanine, conf. I
489929.3247 2.0497 -4.6033 3 889.4885645 89502 303A7 4A4 A6 3A3 a-Alanine, conf. I
489929.3247 2.0497 -5.2252 3 889.4885645 89502 303A7 4A4 A6 4A3 a-Alanine, conf. I
489932.4884 2.8030 -5.2936 3 472.4265417 89502 303692347 682247 a-Alanine, conf. I
489943.8780 1.8611 -5.0913 3 315.6794339 89502 303562235 551936 a-Alanine, conf. I
489974.6144 1.4226 -5.2304 3 881.7481627 89502 303A4 797 A3 796 a-Alanine, conf. I
489974.6144 1.4226 -4.6341 3 881.7481627 89502 303A4 797 A3 896 a-Alanine, conf. I
489974.6144 1.4226 -4.6341 3 881.7481627 89502 303A4 897 A3 796 a-Alanine, conf. I
489974.6144 1.4226 -5.2304 3 881.7481627 89502 303A4 897 A3 896 a-Alanine, conf. I
490058.5883 0.2651 -5.1342 3 407.3690351 89502 303583820 573720 a-Alanine, conf. I
490058.5883 0.2651 -4.0638 3 407.3690351 89502 303583820 573721 a-Alanine, conf. I
490058.5883 0.2651 -4.0638 3 407.3690351 89502 303583821 573720 a-Alanine, conf. I
490058.5883 0.2651 -5.1342 3 407.3690351 89502 303583821 573721 a-Alanine, conf. I
490112.9796 2.9527 -5.0084 3 778.3404531 89502 303882959 873058 a-Alanine, conf. I
490149.7860 2.6800 -5.3429 3 857.8972537 89502 303894346 884345 a-Alanine, conf. I
490149.7860 2.6800 -5.3429 3 857.8972537 89502 303894347 884346 a-Alanine, conf. I
490159.8372 0.2533 -5.0642 3 389.5572309 89502 3035146 5 5045 5 a-Alanine, conf. I
490159.8372 0.2533 -3.9159 3 389.5572309 89502 3035146 5 5045 6 a-Alanine, conf. I
490159.8372 0.2533 -3.9159 3 389.5572309 89502 3035146 6 5045 5 a-Alanine, conf. I
490159.8372 0.2533 -5.0642 3 389.5572309 89502 3035146 6 5045 6 a-Alanine, conf. I
490166.1583 1.2006 -4.8387 3 808.3408549 89502 303912566 902665 a-Alanine, conf. I
490166.2540 1.2006 -5.1712 3 808.3408549 89502 303912666 902665 a-Alanine, conf. I
490166.3601 1.2006 -5.1712 3 808.3408549 89502 303912566 902565 a-Alanine, conf. I
490166.4558 1.2006 -4.8387 3 808.3408549 89502 303912666 902565 a-Alanine, conf. I
490207.0596 4.7933 -5.1404 3 777.4916525 89502 303873453 863452 a-Alanine, conf. I
490247.8441 0.4016 -4.4130 3 466.9383405 89502 303672939 662838 a-Alanine, conf. I
490272.9097 0.4036 -5.2519 3 466.9383405 89502 303672938 662838 a-Alanine, conf. I
490275.6489 1.2187 -5.2025 3 833.3225567 89502 303942173 932172 a-Alanine, conf. I
490275.6489 1.2187 -4.7698 3 833.3225567 89502 303942173 932272 a-Alanine, conf. I
490275.6489 1.2187 -4.7698 3 833.3225567 89502 303942273 932172 a-Alanine, conf. I
490275.6489 1.2187 -5.2025 3 833.3225567 89502 303942273 932272 a-Alanine, conf. I
490297.5891 3.4973 -5.2113 3 807.6095531 89502 303883752 873751 a-Alanine, conf. I
490303.3316 3.5048 -5.2113 3 807.6097531 89502 303883751 873750 a-Alanine, conf. I
490340.0519 0.4106 -5.2518 3 466.9352405 89502 303672939 662839 a-Alanine, conf. I
490343.9719 1.1784 -5.2282 3 863.2812597 89502 303991485 981484 a-Alanine, conf. I
490343.9719 1.1784 -4.6938 3 863.2812597 89502 303991485 981584 a-Alanine, conf. I
490343.9719 1.1784 -4.6938 3 863.2812597 89502 303991585 981484 a-Alanine, conf. I
490343.9719 1.1784 -5.2282 3 863.2812597 89502 303991585 981584 a-Alanine, conf. I
490365.1176 0.4146 -4.4128 3 466.9352405 89502 303672938 662839 a-Alanine, conf. I
490513.5662 1.3967 -5.3107 3 423.0964405 89502 303671651 661551 a-Alanine, conf. I
490513.5707 1.3967 -5.3107 3 423.0964405 89502 303671751 661651 a-Alanine, conf. I
490603.5595 0.2824 -5.1456 3 412.3636357 89502 303593722 583622 a-Alanine, conf. I
490603.5595 0.2824 -4.0898 3 412.3636357 89502 303593722 583623 a-Alanine, conf. I
490603.5595 0.2824 -4.0898 3 412.3636357 89502 303593723 583622 a-Alanine, conf. I
490603.5595 0.2824 -5.1456 3 412.3636357 89502 303593723 583623 a-Alanine, conf. I
490819.9764 1.0952 -4.5312 3 488.7733417 89502 303692842 682741 a-Alanine, conf. I
490849.4412 1.6763 -5.0949 3 761.8338525 89502 303872958 862957 a-Alanine, conf. I
490864.9226 0.9380 -5.1897 3 235.6753309 89502 303511140 501041 a-Alanine, conf. I
490864.9320 0.9380 -5.1897 3 235.6753309 89502 303511240 50 941 a-Alanine, conf. I
490866.2787 0.2308 -5.0727 3 391.8620315 89502 3035245 7 5144 7 a-Alanine, conf. I
490866.2787 0.2308 -3.9323 3 391.8620315 89502 3035245 7 5144 8 a-Alanine, conf. I
490866.2787 0.2308 -3.9323 3 391.8620315 89502 3035245 8 5144 7 a-Alanine, conf. I
490866.2787 0.2308 -5.0727 3 391.8620315 89502 3035245 8 5144 8 a-Alanine, conf. I
490871.4995 1.2243 -5.2352 3 877.5536615 89502 303A21092 A11091 a-Alanine, conf. I
490871.4995 1.2243 -4.6621 3 877.5536615 89502 303A21092 A11191 a-Alanine, conf. I
490871.4995 1.2243 -4.6621 3 877.5536615 89502 303A21192 A11091 a-Alanine, conf. I
490871.4995 1.2243 -5.2352 3 877.5536615 89502 303A21192 A11191 a-Alanine, conf. I
490898.8652 2.8039 -5.3226 3 851.7103537 89502 303894248 884247 a-Alanine, conf. I
490898.8654 2.8039 -5.3226 3 851.7103537 89502 303894247 884246 a-Alanine, conf. I
490913.8772 0.8635 -5.3810 3 386.8605399 89502 303661155 651055 a-Alanine, conf. I
490913.8772 0.8635 -5.3810 3 386.8605399 89502 303661255 651155 a-Alanine, conf. I
490915.5742 2.8383 -5.3007 3 492.1740423 89502 303702546 692446 a-Alanine, conf. I
490938.3890 1.2081 -5.2234 3 854.2031585 89502 303971780 961779 a-Alanine, conf. I
490938.3890 1.2081 -4.7253 3 854.2031585 89502 303971780 961879 a-Alanine, conf. I
490938.3890 1.2081 -4.7253 3 854.2031585 89502 303971880 961779 a-Alanine, conf. I
490938.3890 1.2081 -5.2234 3 854.2031585 89502 303971880 961879 a-Alanine, conf. I
490944.4902 2.2868 -5.2284 3 894.9021651 89502 303A8 2A6 A7 2A5 a-Alanine, conf. I
490944.4902 2.2868 -4.6009 3 894.9021651 89502 303A8 2A6 A7 3A5 a-Alanine, conf. I
490944.4902 2.2868 -4.6009 3 894.9021651 89502 303A8 3A6 A7 2A5 a-Alanine, conf. I
490944.4902 2.2868 -5.2284 3 894.9021651 89502 303A8 3A6 A7 3A5 a-Alanine, conf. I
491029.2402 15.2444 -5.2443 3 819.3343543 89502 303903159 893258 a-Alanine, conf. I
491095.4802 0.3004 -5.1573 3 417.7373363 89502 303603624 593524 a-Alanine, conf. I
491095.4802 0.3004 -4.1177 3 417.7373363 89502 303603624 593525 a-Alanine, conf. I
491095.4802 0.3004 -4.1177 3 417.7373363 89502 303603625 593524 a-Alanine, conf. I
491095.4802 0.3004 -5.1573 3 417.7373363 89502 303603625 593525 a-Alanine, conf. I
491098.1223 1.5530 -5.2352 3 888.1089633 89502 303A5 699 A4 698 a-Alanine, conf. I
491098.1223 1.5530 -4.6319 3 888.1089633 89502 303A5 699 A4 798 a-Alanine, conf. I
491098.1223 1.5530 -4.6319 3 888.1089633 89502 303A5 799 A4 698 a-Alanine, conf. I
491098.1223 1.5530 -5.2352 3 888.1089633 89502 303A5 799 A4 798 a-Alanine, conf. I
491110.1383 2.7833 -5.1854 3 305.0793333 89502 303552234 541935 a-Alanine, conf. I
491129.5119 1.9536 -5.1040 3 765.8352525 89502 303873157 863156 a-Alanine, conf. I
491180.9038 1.2152 -4.8214 3 819.0748555 89502 303922468 912567 a-Alanine, conf. I
491180.9079 1.2152 -5.1856 3 819.0748555 89502 303922568 912567 a-Alanine, conf. I
491180.9128 1.2152 -5.1856 3 819.0748555 89502 303922468 912467 a-Alanine, conf. I
491180.9170 1.2152 -4.8214 3 819.0748555 89502 303922568 912467 a-Alanine, conf. I
491255.1743 1.9765 -5.5646 3 938.2012543 89502 303905238 895237 a-Alanine, conf. I
491255.1743 1.9765 -5.5646 3 938.2012543 89502 303905239 895238 a-Alanine, conf. I
491326.0094 3.8961 -5.1252 3 773.3711525 89502 303873355 863354 a-Alanine, conf. I
491386.0441 0.4069 -4.3513 3 458.5292399 89502 303663037 652936 a-Alanine, conf. I
491387.2737 0.4071 -5.2366 3 458.5292399 89502 303663036 652936 a-Alanine, conf. I
491391.0920 0.4078 -5.2366 3 458.5291399 89502 303663037 652937 a-Alanine, conf. I
491392.3217 0.4081 -4.3513 3 458.5291399 89502 303663036 652937 a-Alanine, conf. I
491495.1932 2.6738 -4.6092 3 485.4432417 89502 303692742 682643 a-Alanine, conf. I
491512.0811 0.7949 -5.0165 3 326.3883345 89502 303572236 561937 a-Alanine, conf. I
491518.5232 0.3193 -5.1694 3 423.4976369 89502 303613526 603426 a-Alanine, conf. I
491518.5232 0.3193 -4.1477 3 423.4976369 89502 303613526 603427 a-Alanine, conf. I
491518.5232 0.3193 -4.1477 3 423.4976369 89502 303613527 603426 a-Alanine, conf. I
491518.5232 0.3193 -5.1694 3 423.4976369 89502 303613527 603427 a-Alanine, conf. I
491527.6705 1.9866 -5.2958 3 448.2437411 89502 303681949 671849 a-Alanine, conf. I
491530.4574 1.9851 -5.2958 3 448.2437411 89502 303682049 671949 a-Alanine, conf. I
491532.0897 1.2280 -5.2139 3 842.9862573 89502 303952075 942074 a-Alanine, conf. I
491532.0897 1.2280 -4.7618 3 842.9862573 89502 303952075 942174 a-Alanine, conf. I
491532.0897 1.2280 -4.7618 3 842.9862573 89502 303952175 942074 a-Alanine, conf. I
491532.0897 1.2280 -5.2139 3 842.9862573 89502 303952175 942174 a-Alanine, conf. I
491563.8213 0.2192 -5.0817 3 394.5173321 89502 3035344 9 5243 9 a-Alanine, conf. I
491563.8213 0.2192 -3.9497 3 394.5173321 89502 3035344 9 524310 a-Alanine, conf. I
491563.8213 0.2192 -3.9497 3 394.5173321 89502 303534410 5243 9 a-Alanine, conf. I
491563.8213 0.2192 -5.0817 3 394.5173321 89502 303534410 524310 a-Alanine, conf. I
491583.4231 0.7175 -5.2829 3 488.7733417 89502 303692841 682741 a-Alanine, conf. I
491606.6631 1.1839 -5.2360 3 871.2737603 89502 303A01387 991386 a-Alanine, conf. I
491606.6631 1.1839 -4.6907 3 871.2737603 89502 303A01387 991486 a-Alanine, conf. I
491606.6631 1.1839 -4.6907 3 871.2737603 89502 303A01487 991386 a-Alanine, conf. I
491606.6631 1.1839 -5.2360 3 871.2737603 89502 303A01487 991486 a-Alanine, conf. I
491622.1758 2.0516 -5.5395 3 930.3751543 89502 303905139 895138 a-Alanine, conf. I
491622.1758 2.0516 -5.5395 3 930.3751543 89502 303905140 895139 a-Alanine, conf. I
491699.7343 2.6292 -4.9204 3 307.5234339 89502 303561938 551639 a-Alanine, conf. I
491731.4395 2.9406 -5.3028 3 845.7254537 89502 303894149 884148 a-Alanine, conf. I
491731.4413 2.9406 -5.3028 3 845.7254537 89502 303894148 884147 a-Alanine, conf. I
491851.0301 0.3391 -5.1820 3 429.6538375 89502 303623428 613328 a-Alanine, conf. I
491851.0301 0.3391 -4.1803 3 429.6538375 89502 303623428 613329 a-Alanine, conf. I
491851.0301 0.3391 -4.1803 3 429.6538375 89502 303623429 613328 a-Alanine, conf. I
491851.0301 0.3391 -5.1820 3 429.6538375 89502 303623429 613329 a-Alanine, conf. I
491856.4440 3.7659 -5.1932 3 802.7236531 89502 303883653 873652 a-Alanine, conf. I
491897.4945 3.8158 -5.1932 3 802.7250531 89502 303883652 873651 a-Alanine, conf. I
491916.9247 0.7144 -5.3347 3 219.2667303 89502 30350 941 49 842 a-Alanine, conf. I
491916.9248 0.7144 -5.3347 3 219.2667303 89502 303501041 49 742 a-Alanine, conf. I
491921.3497 0.3966 -4.2999 3 450.6316393 89502 303653135 643034 a-Alanine, conf. I
491921.3968 0.3966 -5.2221 3 450.6316393 89502 303653134 643034 a-Alanine, conf. I
491921.5622 0.3966 -5.2221 3 450.6316393 89502 303653135 643035 a-Alanine, conf. I
491921.6093 0.3966 -4.2999 3 450.6316393 89502 303653134 643035 a-Alanine, conf. I
491928.0866 2.5505 -5.2312 3 900.0831657 89502 303A9 1A8 A8 1A7 a-Alanine, conf. I
491928.0866 2.5505 -4.5984 3 900.0831657 89502 303A9 1A8 A8 2A7 a-Alanine, conf. I
491928.0866 2.5505 -4.5984 3 900.0831657 89502 303A9 2A8 A8 1A7 a-Alanine, conf. I
491928.0866 2.5505 -5.2312 3 900.0831657 89502 303A9 2A8 A8 2A7 a-Alanine, conf. I
491940.9128 6.0039 -5.3462 3 538.0852441 89502 303732647 722547 a-Alanine, conf. I
492016.7590 2.1306 -5.5149 3 922.7239543 89502 303905040 895039 a-Alanine, conf. I
492016.7590 2.1306 -5.5149 3 922.7239543 89502 303905041 895040 a-Alanine, conf. I
492062.5477 0.3594 -5.1949 3 436.2174381 89502 303633330 623230 a-Alanine, conf. I
492062.5477 0.3594 -4.2159 3 436.2174381 89502 303633331 623230 a-Alanine, conf. I
492062.5478 0.3594 -5.1949 3 436.2174381 89502 303633331 623231 a-Alanine, conf. I
492062.5479 0.3594 -4.2159 3 436.2174381 89502 303633330 623231 a-Alanine, conf. I
492063.1322 1.2819 -5.2413 3 884.6223621 89502 303A3 994 A2 993 a-Alanine, conf. I
492063.1322 1.2819 -4.6598 3 884.6223621 89502 303A3 994 A21093 a-Alanine, conf. I
492063.1322 1.2819 -4.6598 3 884.6223621 89502 303A31094 A2 993 a-Alanine, conf. I
492063.1322 1.2819 -5.2413 3 884.6223621 89502 303A31094 A21093 a-Alanine, conf. I
492104.7691 0.6671 -5.5308 3 202.8519297 89502 30349 742 48 643 a-Alanine, conf. I
492104.7691 0.6671 -5.5308 3 202.8519297 89502 30349 842 48 543 a-Alanine, conf. I
492108.6838 0.3792 -4.2554 3 443.2034387 89502 303643233 633132 a-Alanine, conf. I
492108.6852 0.3792 -5.2083 3 443.2034387 89502 303643232 633132 a-Alanine, conf. I
492108.6908 0.3792 -5.2083 3 443.2034387 89502 303643233 633133 a-Alanine, conf. I
492108.6922 0.3792 -4.2554 3 443.2034387 89502 303643232 633133 a-Alanine, conf. I
492153.9720 6.1742 -5.0412 3 734.4783513 89502 303853154 843153 a-Alanine, conf. I
492193.9699 1.7117 -5.2397 3 894.2442639 89502 303A6 5A1 A5 5A0 a-Alanine, conf. I
492193.9699 1.7117 -4.6297 3 894.2442639 89502 303A6 5A1 A5 6A0 a-Alanine, conf. I
492193.9699 1.7117 -4.6297 3 894.2442639 89502 303A6 6A1 A5 5A0 a-Alanine, conf. I
492193.9699 1.7117 -5.2397 3 894.2442639 89502 303A6 6A1 A5 6A0 a-Alanine, conf. I
492209.3656 3.0956 -5.1119 3 769.5403525 89502 303873256 863255 a-Alanine, conf. I
492225.5030 0.8432 -5.4055 3 381.4638399 89502 303661056 65 956 a-Alanine, conf. I
492225.5030 0.8432 -5.4055 3 381.4638399 89502 303661156 651056 a-Alanine, conf. I
492227.2398 1.2085 -5.2327 3 862.9039591 89502 303981682 971681 a-Alanine, conf. I
492227.2398 1.2085 -4.7210 3 862.9039591 89502 303981682 971781 a-Alanine, conf. I
492227.2398 1.2085 -4.7210 3 862.9039591 89502 303981782 971681 a-Alanine, conf. I
492227.2398 1.2085 -5.2327 3 862.9039591 89502 303981782 971781 a-Alanine, conf. I
492250.2435 0.2173 -5.0910 3 397.5252327 89502 303544311 534211 a-Alanine, conf. I
492250.2435 0.2173 -3.9681 3 397.5252327 89502 303544311 534212 a-Alanine, conf. I
492250.2435 0.2173 -3.9681 3 397.5252327 89502 303544312 534211 a-Alanine, conf. I
492250.2435 0.2173 -5.0910 3 397.5252327 89502 303544312 534212 a-Alanine, conf. I
492298.4866 1.2290 -4.8077 3 829.5325561 89502 303932370 922469 a-Alanine, conf. I
492298.4868 1.2290 -5.1991 3 829.5325561 89502 303932470 922469 a-Alanine, conf. I
492298.4870 1.2290 -5.1991 3 829.5325561 89502 303932370 922369 a-Alanine, conf. I
492298.4871 1.2290 -4.8077 3 829.5325561 89502 303932470 922369 a-Alanine, conf. I
492338.9340 0.9970 -5.2961 3 498.4796423 89502 303702744 692644 a-Alanine, conf. I
492373.1381 1.2521 -5.3223 3 418.3724405 89502 303671552 661452 a-Alanine, conf. I
492373.1385 1.2521 -5.3223 3 418.3724405 89502 303671652 661552 a-Alanine, conf. I
492398.8619 1.2388 -4.9403 3 790.4977537 89502 303892861 882960 a-Alanine, conf. I
492436.4205 3.9180 -5.3057 3 488.7410423 89502 303702347 692247 a-Alanine, conf. I
492439.5721 1.2266 -5.1222 3 778.3404531 89502 303883059 873058 a-Alanine, conf. I
492441.8828 2.2137 -5.4910 3 915.2494543 89502 303904941 894940 a-Alanine, conf. I
492441.8828 2.2137 -5.4910 3 915.2494543 89502 303904942 894941 a-Alanine, conf. I
492460.6835 1.5130 -5.0376 3 264.7989321 89502 303531439 521340 a-Alanine, conf. I
492464.5138 1.5119 -5.0376 3 264.7989321 89502 303531539 521240 a-Alanine, conf. I
492615.1074 1.1788 -5.1421 3 790.4977537 89502 303892961 882960 a-Alanine, conf. I
492664.3005 3.0937 -5.2835 3 839.9489537 89502 303894050 884049 a-Alanine, conf. I
492664.3189 3.0938 -5.2835 3 839.9489537 89502 303894049 884048 a-Alanine, conf. I
492675.8030 1.4931 -5.0321 3 732.0095513 89502 303853055 843054 a-Alanine, conf. I
492800.6859 1.1663 -5.1417 3 790.4843537 89502 303892861 882860 a-Alanine, conf. I
492808.2118 1.2347 -5.2248 3 852.4138579 89502 303961977 951976 a-Alanine, conf. I
492808.2118 1.2347 -4.7551 3 852.4138579 89502 303961977 952076 a-Alanine, conf. I
492808.2118 1.2347 -4.7551 3 852.4138579 89502 303962077 951976 a-Alanine, conf. I
492808.2118 1.2347 -5.2248 3 852.4138579 89502 303962077 952076 a-Alanine, conf. I
492853.3092 1.1970 -5.2435 3 879.0457609 89502 303A11289 A01288 a-Alanine, conf. I
492853.3092 1.1970 -4.6879 3 879.0457609 89502 303A11289 A01388 a-Alanine, conf. I
492853.3092 1.1970 -4.6879 3 879.0457609 89502 303A11389 A01288 a-Alanine, conf. I
492853.3092 1.1970 -5.2435 3 879.0457609 89502 303A11389 A01388 a-Alanine, conf. I
492879.2238 2.8400 -5.2337 3 905.0295663 89502 303B0 0B0 A9 0A9 a-Alanine, conf. I
492879.2238 2.8400 -4.5958 3 905.0295663 89502 303B0 0B0 A9 1A9 a-Alanine, conf. I
492879.2238 2.8400 -4.5958 3 905.0295663 89502 303B0 1B0 A9 0A9 a-Alanine, conf. I
492879.2238 2.8400 -5.2337 3 905.0295663 89502 303B0 1B0 A9 1A9 a-Alanine, conf. I
492900.9926 2.3012 -5.4677 3 907.9536543 89502 303904842 894841 a-Alanine, conf. I
492900.9926 2.3012 -5.4677 3 907.9536543 89502 303904843 894842 a-Alanine, conf. I
492916.9142 6.7279 -4.7298 3 542.5585441 89502 303732846 722745 a-Alanine, conf. I
492922.7386 0.2229 -5.1007 3 400.8882333 89502 303554213 544113 a-Alanine, conf. I
492922.7386 0.2229 -3.9876 3 400.8882333 89502 303554213 544114 a-Alanine, conf. I
492922.7386 0.2229 -3.9876 3 400.8882333 89502 303554214 544113 a-Alanine, conf. I
492922.7386 0.2229 -5.1007 3 400.8882333 89502 303554214 544114 a-Alanine, conf. I
492955.4594 1.2029 -4.9011 3 802.2467543 89502 303902763 892862 a-Alanine, conf. I
492971.0434 1.2005 -5.1604 3 802.2467543 89502 303902863 892862 a-Alanine, conf. I
492986.0067 1.1987 -5.1604 3 802.2456543 89502 303902763 892762 a-Alanine, conf. I
493001.5907 1.1968 -4.9010 3 802.2456543 89502 303902863 892762 a-Alanine, conf. I
493016.9314 1.1921 -4.9391 3 790.4843537 89502 303892961 882860 a-Alanine, conf. I
493033.0929 6.5176 -5.3357 3 521.6393435 89502 303722547 712447 a-Alanine, conf. I
493156.1966 0.4516 -5.2803 3 488.6953417 89502 303692842 682742 a-Alanine, conf. I
493230.9372 1.3627 -5.2471 3 891.4688627 89502 303A4 896 A3 895 a-Alanine, conf. I
493230.9372 1.3627 -4.6577 3 891.4688627 89502 303A4 896 A3 995 a-Alanine, conf. I
493230.9372 1.3627 -4.6577 3 891.4688627 89502 303A4 996 A3 895 a-Alanine, conf. I
493230.9372 1.3627 -5.2471 3 891.4688627 89502 303A4 996 A3 995 a-Alanine, conf. I
493260.9854 1.8986 -5.2438 3 900.1521645 89502 303A7 4A3 A6 4A2 a-Alanine, conf. I
493260.9854 1.8986 -4.6276 3 900.1521645 89502 303A7 4A3 A6 5A2 a-Alanine, conf. I
493260.9854 1.8986 -4.6276 3 900.1521645 89502 303A7 5A3 A6 4A2 a-Alanine, conf. I
493260.9854 1.8986 -5.2438 3 900.1521645 89502 303A7 5A3 A6 5A2 a-Alanine, conf. I
493398.1353 2.3935 -5.4449 3 900.8387543 89502 303904743 894742 a-Alanine, conf. I
493398.1353 2.3935 -5.4449 3 900.8387543 89502 303904744 894743 a-Alanine, conf. I
493401.3458 8.6528 -4.7806 3 453.8409405 89502 303672542 662443 a-Alanine, conf. I
493409.5548 0.3680 -5.0482 3 393.4204297 89502 3034949 0 4848 0 a-Alanine, conf. I
493409.5548 0.3680 -3.8823 3 393.4204297 89502 3034949 0 4848 1 a-Alanine, conf. I
493409.5548 0.3680 -3.8823 3 393.4204297 89502 3034949 1 4848 0 a-Alanine, conf. I
493409.5548 0.3680 -5.0482 3 393.4204297 89502 3034949 1 4848 1 a-Alanine, conf. I
493431.6628 2.5781 -5.2969 3 468.6462417 89502 303692148 682048 a-Alanine, conf. I
493461.2199 1.8602 -4.5727 3 501.8377423 89502 303702843 692742 a-Alanine, conf. I
493463.7619 0.8556 -5.4342 3 375.9212399 89502 30366 957 65 857 a-Alanine, conf. I
493463.7619 0.8556 -5.4342 3 375.9212399 89502 303661057 65 957 a-Alanine, conf. I
493484.4251 1.2418 -5.2118 3 839.7293567 89502 303942272 932271 a-Alanine, conf. I
493484.4251 1.2418 -4.7966 3 839.7293567 89502 303942272 932371 a-Alanine, conf. I
493484.4251 1.2418 -4.7966 3 839.7293567 89502 303942372 932271 a-Alanine, conf. I
493484.4251 1.2418 -5.2118 3 839.7293567 89502 303942372 932371 a-Alanine, conf. I
493505.8181 7.4314 -5.0801 3 753.7240519 89502 303863254 853253 a-Alanine, conf. I
493509.5359 1.2086 -5.2415 3 871.3816597 89502 303991584 981583 a-Alanine, conf. I
493509.5359 1.2086 -4.7173 3 871.3816597 89502 303991584 981683 a-Alanine, conf. I
493509.5359 1.2086 -4.7173 3 871.3816597 89502 303991684 981583 a-Alanine, conf. I
493509.5359 1.2086 -5.2415 3 871.3816597 89502 303991684 981683 a-Alanine, conf. I
493523.1145 2.5292 -5.2967 3 468.6473417 89502 303692248 682148 a-Alanine, conf. I
493568.8423 2.7768 -4.9088 3 320.9232345 89502 303572038 561739 a-Alanine, conf. I
493577.7510 0.2336 -5.1108 3 404.6091339 89502 303564115 554015 a-Alanine, conf. I
493577.7510 0.2336 -4.0083 3 404.6091339 89502 303564115 554016 a-Alanine, conf. I
493577.7510 0.2336 -4.0083 3 404.6091339 89502 303564116 554015 a-Alanine, conf. I
493577.7510 0.2336 -5.1108 3 404.6091339 89502 303564116 554016 a-Alanine, conf. I
493647.2173 1.2199 -4.8736 3 813.6301549 89502 303912665 902764 a-Alanine, conf. I
493648.1331 1.2198 -5.1771 3 813.6301549 89502 303912765 902764 a-Alanine, conf. I
493649.0916 1.2197 -5.1771 3 813.6301549 89502 303912665 902664 a-Alanine, conf. I
493650.0074 1.2196 -4.8736 3 813.6301549 89502 303912765 902664 a-Alanine, conf. I
493692.3568 4.0539 -5.1754 3 798.1090531 89502 303883554 873553 a-Alanine, conf. I
493720.1696 3.2690 -5.2646 3 834.3891537 89502 303893951 883950 a-Alanine, conf. I
493720.3449 3.2692 -5.2646 3 834.3891537 89502 303893950 883949 a-Alanine, conf. I
493740.0695 7.1319 -5.1063 3 798.7582537 89502 303893059 883158 a-Alanine, conf. I
493832.2610 5.2202 -5.3201 3 505.1669429 89502 303712447 702347 a-Alanine, conf. I
493919.6433 0.7211 -4.5268 3 488.6953417 89502 303692841 682742 a-Alanine, conf. I
493938.1131 2.4914 -5.4227 3 893.9074543 89502 303904644 894643 a-Alanine, conf. I
493938.1131 2.4914 -5.4227 3 893.9074543 89502 303904645 894644 a-Alanine, conf. I
493947.3947 4.3381 -5.1749 3 798.1184531 89502 303883553 873552 a-Alanine, conf. I
494005.0806 1.7746 -5.3028 3 443.9438411 89502 303681850 671750 a-Alanine, conf. I
494005.3619 1.7744 -5.3028 3 443.9438411 89502 303681950 671850 a-Alanine, conf. I
494081.4304 1.2215 -5.2505 3 886.5971615 89502 303A21191 A11190 a-Alanine, conf. I
494081.4304 1.2215 -4.6855 3 886.5971615 89502 303A21191 A11290 a-Alanine, conf. I
494081.4304 1.2215 -4.6855 3 886.5971615 89502 303A21291 A11190 a-Alanine, conf. I
494081.4304 1.2215 -5.2505 3 886.5971615 89502 303A21291 A11290 a-Alanine, conf. I
494084.1156 1.1271 -5.3357 3 413.4844405 89502 303671453 661353 a-Alanine, conf. I
494084.1157 1.1271 -5.3357 3 413.4844405 89502 303671553 661453 a-Alanine, conf. I
494094.5388 1.2388 -5.2352 3 861.6103585 89502 303971879 961878 a-Alanine, conf. I
494094.5388 1.2388 -4.7495 3 861.6103585 89502 303971879 961978 a-Alanine, conf. I
494094.5388 1.2388 -4.7495 3 861.6103585 89502 303971979 961878 a-Alanine, conf. I
494094.5388 1.2388 -5.2352 3 861.6103585 89502 303971979 961978 a-Alanine, conf. I
494118.3626 1.4327 -5.1186 3 778.2068531 89502 303882959 872958 a-Alanine, conf. I
494130.8659 0.3180 -5.0557 3 394.8684303 89502 3035048 2 4947 2 a-Alanine, conf. I
494130.8659 0.3180 -3.8965 3 394.8684303 89502 3035048 2 4947 3 a-Alanine, conf. I
494130.8659 0.3180 -3.8965 3 394.8684303 89502 3035048 3 4947 2 a-Alanine, conf. I
494130.8659 0.3180 -5.0557 3 394.8684303 89502 3035048 3 4947 3 a-Alanine, conf. I
494210.7566 0.2476 -5.1212 3 408.6912345 89502 303574017 563917 a-Alanine, conf. I
494210.7566 0.2476 -4.0302 3 408.6912345 89502 303574017 563918 a-Alanine, conf. I
494210.7566 0.2476 -4.0302 3 408.6912345 89502 303574018 563917 a-Alanine, conf. I
494210.7566 0.2476 -5.1212 3 408.6912345 89502 303574018 563918 a-Alanine, conf. I
494254.4955 3.0519 -5.3027 3 488.7689423 89502 303702447 692347 a-Alanine, conf. I
494298.0872 2.1135 -5.2476 3 905.8308651 89502 303A8 3A5 A7 3A4 a-Alanine, conf. I
494298.0872 2.1135 -4.6255 3 905.8308651 89502 303A8 3A5 A7 4A4 a-Alanine, conf. I
494298.0872 2.1135 -4.6255 3 905.8308651 89502 303A8 4A5 A7 3A4 a-Alanine, conf. I
494298.0872 2.1135 -5.2476 3 905.8308651 89502 303A8 4A5 A7 4A4 a-Alanine, conf. I
494317.5653 12.6850 -4.9230 3 632.5956477 89502 303792951 782850 a-Alanine, conf. I
494373.3835 1.4695 -5.2525 3 898.0919633 89502 303A5 798 A4 797 a-Alanine, conf. I
494373.3835 1.4695 -4.6557 3 898.0919633 89502 303A5 798 A4 897 a-Alanine, conf. I
494373.3835 1.4695 -4.6557 3 898.0919633 89502 303A5 898 A4 797 a-Alanine, conf. I
494373.3835 1.4695 -5.2525 3 898.0919633 89502 303A5 898 A4 897 a-Alanine, conf. I
494526.6906 2.5956 -5.4010 3 887.1625543 89502 303904545 894544 a-Alanine, conf. I
494526.6906 2.5956 -5.4010 3 887.1625543 89502 303904546 894545 a-Alanine, conf. I
494528.2743 21.4423 -5.3664 3 857.2763555 89502 303923260 913359 a-Alanine, conf. I
494540.4426 3.3654 -5.2869 3 294.6077327 89502 303542233 531934 a-Alanine, conf. I
494546.5646 1.2357 -4.8530 3 824.6910555 89502 303922567 912666 a-Alanine, conf. I
494546.6097 1.2357 -5.1926 3 824.6910555 89502 303922667 912666 a-Alanine, conf. I
494546.6603 1.2357 -5.1926 3 824.6910555 89502 303922567 912566 a-Alanine, conf. I
494546.7053 1.2357 -4.8530 3 824.6910555 89502 303922667 912566 a-Alanine, conf. I
494620.6489 7.1979 -4.9993 3 745.5590519 89502 303863057 852956 a-Alanine, conf. I
494637.0262 0.8983 -5.4681 3 370.2351399 89502 30366 858 65 758 a-Alanine, conf. I
494637.0262 0.8983 -5.4681 3 370.2351399 89502 30366 958 65 858 a-Alanine, conf. I
494669.1304 6.6171 -5.1190 3 773.5312525 89502 303873354 863353 a-Alanine, conf. I
494715.6722 1.2530 -5.2240 3 849.6763573 89502 303952174 942173 a-Alanine, conf. I
494715.6722 1.2530 -4.7876 3 849.6763573 89502 303952174 942273 a-Alanine, conf. I
494715.6722 1.2530 -4.7876 3 849.6763573 89502 303952274 942173 a-Alanine, conf. I
494715.6722 1.2530 -5.2240 3 849.6763573 89502 303952274 942273 a-Alanine, conf. I
494781.2969 1.2104 -5.2499 3 879.6374603 89502 303A01486 991485 a-Alanine, conf. I
494781.2969 1.2104 -4.7141 3 879.6374603 89502 303A01486 991585 a-Alanine, conf. I
494781.2969 1.2104 -4.7141 3 879.6374603 89502 303A01586 991485 a-Alanine, conf. I
494781.2969 1.2104 -5.2499 3 879.6374603 89502 303A01586 991585 a-Alanine, conf. I
494803.6827 0.4158 -4.4414 3 479.4713411 89502 303682940 672839 a-Alanine, conf. I
494815.9630 0.2634 -5.1321 3 413.1383351 89502 303583919 573819 a-Alanine, conf. I
494815.9630 0.2634 -4.0536 3 413.1383351 89502 303583919 573820 a-Alanine, conf. I
494815.9630 0.2634 -4.0536 3 413.1383351 89502 303583920 573819 a-Alanine, conf. I
494815.9630 0.2634 -5.1321 3 413.1383351 89502 303583920 573820 a-Alanine, conf. I
494847.0036 0.2782 -5.0637 3 396.6627309 89502 3035147 4 5046 4 a-Alanine, conf. I
494847.0036 0.2782 -3.9115 3 396.6627309 89502 3035147 4 5046 5 a-Alanine, conf. I
494847.0036 0.2782 -3.9115 3 396.6627309 89502 3035147 5 5046 4 a-Alanine, conf. I
494847.0036 0.2782 -5.0637 3 396.6627309 89502 3035147 5 5046 5 a-Alanine, conf. I
494854.8242 4.9801 -4.9963 3 761.8338525 89502 303873058 862957 a-Alanine, conf. I
494857.5666 0.4154 -5.2641 3 479.4713411 89502 303682939 672839 a-Alanine, conf. I
494873.3108 4.7331 -4.6728 3 528.7200435 89502 303722845 712744 a-Alanine, conf. I
494922.4886 1.0803 -5.2976 3 501.8377423 89502 303702842 692742 a-Alanine, conf. I
494930.7887 3.4747 -5.2460 3 829.0564537 89502 303893852 883851 a-Alanine, conf. I
494932.2995 3.4769 -5.2460 3 829.0564537 89502 303893851 883850 a-Alanine, conf. I
494950.5745 3.0624 -4.6198 3 515.1490429 89502 303712844 702743 a-Alanine, conf. I
494991.5274 8.4960 -4.9066 3 384.7725375 89502 303622240 612141 a-Alanine, conf. I
494995.2110 0.4241 -5.2639 3 479.4649411 89502 303682940 672840 a-Alanine, conf. I
495043.2550 2.9976 -5.3557 3 554.4945447 89502 303742747 732647 a-Alanine, conf. I
495043.3746 1.0892 -5.5206 3 240.3228297 89502 303492029 481732 a-Alanine, conf. I
495049.0949 0.4322 -4.4410 3 479.4649411 89502 303682939 672840 a-Alanine, conf. I
495170.8813 2.7074 -5.3799 3 880.6077543 89502 303904446 894445 a-Alanine, conf. I
495170.8813 2.7074 -5.3799 3 880.6077543 89502 303904447 894446 a-Alanine, conf. I
495288.8761 1.2620 -5.2572 3 893.9273621 89502 303A31093 A21092 a-Alanine, conf. I
495288.8761 1.2620 -4.6833 3 893.9273621 89502 303A31093 A21192 a-Alanine, conf. I
495288.8761 1.2620 -4.6833 3 893.9273621 89502 303A31193 A21092 a-Alanine, conf. I
495288.8761 1.2620 -5.2572 3 893.9273621 89502 303A31193 A21192 a-Alanine, conf. I
495304.2709 2.3556 -5.2509 3 911.2782657 89502 303A9 2A7 A8 2A6 a-Alanine, conf. I
495304.2709 2.3556 -4.6233 3 911.2782657 89502 303A9 2A7 A8 3A6 a-Alanine, conf. I
495304.2709 2.3556 -4.6233 3 911.2782657 89502 303A9 3A7 A8 2A6 a-Alanine, conf. I
495304.2709 2.3556 -5.2509 3 911.2782657 89502 303A9 3A7 A8 3A6 a-Alanine, conf. I
495347.0222 2.0802 -5.0042 3 794.7664537 89502 303892960 883059 a-Alanine, conf. I
495376.8261 1.1126 -5.1349 3 248.2749315 89502 303521240 511141 a-Alanine, conf. I
495376.8845 1.1126 -5.1349 3 248.2749315 89502 303521340 511041 a-Alanine, conf. I
495383.7700 1.2405 -5.2450 3 870.5791591 89502 303981781 971780 a-Alanine, conf. I
495383.7700 1.2405 -4.7449 3 870.5791591 89502 303981781 971880 a-Alanine, conf. I
495383.7700 1.2405 -4.7449 3 870.5791591 89502 303981881 971780 a-Alanine, conf. I
495383.7700 1.2405 -5.2450 3 870.5791591 89502 303981881 971880 a-Alanine, conf. I
495385.8943 0.2805 -5.1433 3 417.9552357 89502 303593821 583721 a-Alanine, conf. I
495385.8943 0.2805 -4.0784 3 417.9552357 89502 303593821 583722 a-Alanine, conf. I
495385.8943 0.2805 -4.0784 3 417.9552357 89502 303593822 583721 a-Alanine, conf. I
495385.8943 0.2805 -5.1433 3 417.9552357 89502 303593822 583722 a-Alanine, conf. I
495409.1053 28.1479 -5.4975 3 896.0482567 89502 303943361 933460 a-Alanine, conf. I
495489.0890 1.6042 -5.2575 3 904.4902639 89502 303A6 6A0 A5 699 a-Alanine, conf. I
495489.0890 1.6042 -4.6538 3 904.4902639 89502 303A6 6A0 A5 799 a-Alanine, conf. I
495489.0890 1.6042 -4.6538 3 904.4902639 89502 303A6 7A0 A5 699 a-Alanine, conf. I
495489.0890 1.6042 -5.2575 3 904.4902639 89502 303A6 7A0 A5 799 a-Alanine, conf. I
495556.7568 0.2492 -5.0720 3 398.8048315 89502 3035246 6 5145 6 a-Alanine, conf. I
495556.7568 0.2492 -3.9273 3 398.8048315 89502 3035246 6 5145 7 a-Alanine, conf. I
495556.7568 0.2492 -3.9273 3 398.8048315 89502 3035246 7 5145 6 a-Alanine, conf. I
495556.7568 0.2492 -5.0720 3 398.8048315 89502 3035246 7 5145 7 a-Alanine, conf. I
495587.3705 1.2503 -4.8371 3 835.4588561 89502 303932469 922568 a-Alanine, conf. I
495587.3724 1.2503 -5.2070 3 835.4588561 89502 303932569 922568 a-Alanine, conf. I
495587.3747 1.2503 -5.2070 3 835.4588561 89502 303932469 922468 a-Alanine, conf. I
495587.3765 1.2503 -4.8371 3 835.4588561 89502 303932569 922468 a-Alanine, conf. I
495670.2351 1.0240 -5.3513 3 408.4374405 89502 303671354 661254 a-Alanine, conf. I
495670.2351 1.0240 -5.3513 3 408.4374405 89502 303671454 661354 a-Alanine, conf. I
495712.5322 4.2002 -5.1580 3 793.7874531 89502 303883455 873454 a-Alanine, conf. I
495752.3157 0.9667 -5.5088 3 364.4073399 89502 30366 759 65 659 a-Alanine, conf. I
495752.3157 0.9667 -5.5088 3 364.4073399 89502 30366 859 65 759 a-Alanine, conf. I
495817.1336 0.6424 -4.9654 3 337.2004351 89502 303582237 571938 a-Alanine, conf. I
495875.5353 1.6988 -5.1246 3 782.2176531 89502 303883158 873157 a-Alanine, conf. I
495879.3555 2.8283 -5.3593 3 874.2469543 89502 303904348 894347 a-Alanine, conf. I
495879.3556 2.8283 -5.3593 3 874.2469543 89502 303904347 894346 a-Alanine, conf. I
495896.3991 1.7769 -5.0024 3 277.7457327 89502 303541539 531440 a-Alanine, conf. I
495910.7977 0.2984 -5.1549 3 423.1471363 89502 303603723 593623 a-Alanine, conf. I
495910.7977 0.2984 -4.1050 3 423.1471363 89502 303603723 593624 a-Alanine, conf. I
495910.7977 0.2984 -4.1050 3 423.1471363 89502 303603724 593623 a-Alanine, conf. I
495910.7977 0.2984 -5.1549 3 423.1471363 89502 303603724 593624 a-Alanine, conf. I
495914.1387 1.7720 -5.0023 3 277.7457327 89502 303541639 531340 a-Alanine, conf. I
495976.0594 1.2620 -5.2355 3 859.3819579 89502 303962076 952075 a-Alanine, conf. I
495976.0594 1.2620 -4.7802 3 859.3819579 89502 303962076 952175 a-Alanine, conf. I
495976.0594 1.2620 -4.7802 3 859.3819579 89502 303962176 952075 a-Alanine, conf. I
495976.0594 1.2620 -5.2355 3 859.3819579 89502 303962176 952175 a-Alanine, conf. I
496039.2073 1.2167 -5.2579 3 887.6719609 89502 303A11388 A01387 a-Alanine, conf. I
496039.2073 1.2167 -4.7113 3 887.6719609 89502 303A11388 A01487 a-Alanine, conf. I
496039.2073 1.2167 -4.7113 3 887.6719609 89502 303A11488 A01387 a-Alanine, conf. I
496039.2073 1.2167 -5.2579 3 887.6719609 89502 303A11488 A01487 a-Alanine, conf. I
496119.8603 9.7631 -5.0034 3 729.3736513 89502 303853056 842955 a-Alanine, conf. I
496215.2969 1.5891 -5.3111 3 439.4582411 89502 303681751 671651 a-Alanine, conf. I
496215.3218 1.5891 -5.3111 3 439.4582411 89502 303681851 671751 a-Alanine, conf. I
496233.6113 0.4204 -4.3756 3 470.8096405 89502 303673038 662937 a-Alanine, conf. I
496236.4671 0.4210 -5.2482 3 470.8096405 89502 303673037 662937 a-Alanine, conf. I
496244.9951 0.4225 -5.2482 3 470.8093405 89502 303673038 662938 a-Alanine, conf. I
496247.8508 0.4230 -4.3756 3 470.8093405 89502 303673037 662938 a-Alanine, conf. I
496258.5997 0.2314 -5.0808 3 401.2963321 89502 3035345 8 5244 8 a-Alanine, conf. I
496258.5997 0.2314 -3.9441 3 401.2963321 89502 3035345 8 5244 9 a-Alanine, conf. I
496258.5997 0.2314 -3.9441 3 401.2963321 89502 3035345 9 5244 8 a-Alanine, conf. I
496258.5997 0.2314 -5.0808 3 401.2963321 89502 3035345 9 5244 9 a-Alanine, conf. I
496278.5985 2.6244 -5.2539 3 916.4921663 89502 303B0 1A9 A9 1A8 a-Alanine, conf. I
496278.5985 2.6244 -4.6210 3 916.4921663 89502 303B0 1A9 A9 2A8 a-Alanine, conf. I
496278.5985 2.6244 -4.6210 3 916.4921663 89502 303B0 2A9 A9 1A8 a-Alanine, conf. I
496278.5985 2.6244 -5.2539 3 916.4921663 89502 303B0 2A9 A9 2A8 a-Alanine, conf. I
496340.7862 3.7221 -5.2278 3 823.9641537 89502 303893753 883752 a-Alanine, conf. I
496352.4384 3.7374 -5.2278 3 823.9645537 89502 303893752 883751 a-Alanine, conf. I
496373.6337 1.1482 -5.0567 3 748.4434519 89502 303863056 853055 a-Alanine, conf. I
496377.7776 0.3171 -5.1670 3 428.7206369 89502 303613625 603525 a-Alanine, conf. I
496377.7776 0.3171 -4.1336 3 428.7206369 89502 303613625 603526 a-Alanine, conf. I
496377.7776 0.3171 -4.1336 3 428.7206369 89502 303613626 603525 a-Alanine, conf. I
496377.7776 0.3171 -5.1670 3 428.7206369 89502 303613626 603526 a-Alanine, conf. I
496444.9552 3.3247 -4.9954 3 778.2068531 89502 303883059 872958 a-Alanine, conf. I
496473.7592 1.3225 -5.2635 3 901.0357627 89502 303A4 995 A3 994 a-Alanine, conf. I
496473.7592 1.3225 -4.6813 3 901.0357627 89502 303A4 995 A31094 a-Alanine, conf. I
496473.7592 1.3225 -4.6813 3 901.0357627 89502 303A41095 A3 994 a-Alanine, conf. I
496473.7592 1.3225 -5.2635 3 901.0357627 89502 303A41095 A31094 a-Alanine, conf. I
496480.0145 2.5440 -4.9093 3 334.4673351 89502 303582138 571839 a-Alanine, conf. I
496570.0086 2.4672 -5.3111 3 508.5492429 89502 303712646 702546 a-Alanine, conf. I
496576.7948 1.7673 -5.2622 3 910.6620645 89502 303A7 5A2 A6 5A1 a-Alanine, conf. I
496576.7948 1.7673 -4.6519 3 910.6620645 89502 303A7 5A2 A6 6A1 a-Alanine, conf. I
496576.7948 1.7673 -4.6519 3 910.6620645 89502 303A7 6A2 A6 5A1 a-Alanine, conf. I
496576.7948 1.7673 -5.2622 3 910.6620645 89502 303A7 6A2 A6 6A1 a-Alanine, conf. I
496642.6049 2.2608 -5.3011 3 464.6392417 89502 303692049 681949 a-Alanine, conf. I
496654.4200 2.2542 -5.3011 3 464.6394417 89502 303692149 682049 a-Alanine, conf. I
496663.0350 2.9605 -5.3392 3 868.0849543 89502 303904249 894248 a-Alanine, conf. I
496663.0354 2.9605 -5.3392 3 868.0849543 89502 303904248 894247 a-Alanine, conf. I
496669.2242 1.2217 -5.1441 3 794.7664537 89502 303893060 883059 a-Alanine, conf. I
496670.1403 1.2407 -5.2545 3 879.3228597 89502 303991683 981682 a-Alanine, conf. I
496670.1403 1.2407 -4.7410 3 879.3228597 89502 303991683 981782 a-Alanine, conf. I
496670.1403 1.2407 -4.7410 3 879.3228597 89502 303991783 981682 a-Alanine, conf. I
496670.1403 1.2407 -5.2545 3 879.3228597 89502 303991783 981782 a-Alanine, conf. I
496709.5800 1.2403 -4.9473 3 806.9296543 89502 303902862 892961 a-Alanine, conf. I
496721.5797 1.2642 -4.8244 3 845.9538567 89502 303942371 932470 a-Alanine, conf. I
496721.5798 1.2642 -5.2206 3 845.9538567 89502 303942371 932370 a-Alanine, conf. I
496721.5798 1.2642 -5.2206 3 845.9538567 89502 303942471 932470 a-Alanine, conf. I
496721.5799 1.2642 -4.8244 3 845.9538567 89502 303942471 932370 a-Alanine, conf. I
496769.4828 0.3368 -5.1794 3 434.6838375 89502 303623527 613427 a-Alanine, conf. I
496769.4828 0.3368 -4.1644 3 434.6838375 89502 303623527 613428 a-Alanine, conf. I
496769.4828 0.3368 -4.1644 3 434.6838375 89502 303623528 613427 a-Alanine, conf. I
496769.4828 0.3368 -5.1794 3 434.6838375 89502 303623528 613428 a-Alanine, conf. I
496815.5829 1.0556 -5.5582 3 358.4394399 89502 30366 660 65 560 a-Alanine, conf. I
496815.5829 1.0556 -5.5582 3 358.4394399 89502 30366 760 65 660 a-Alanine, conf. I
496824.4164 1.2144 -5.1640 3 806.9296543 89502 303902962 892961 a-Alanine, conf. I
496914.5939 0.4137 -4.3218 3 462.6769399 89502 303663136 653035 a-Alanine, conf. I
496914.7115 0.4138 -5.2333 3 462.6769399 89502 303663135 653035 a-Alanine, conf. I
496915.1111 0.4139 -5.2333 3 462.6769399 89502 303663136 653036 a-Alanine, conf. I
496915.2288 0.4139 -4.3218 3 462.6769399 89502 303663135 653036 a-Alanine, conf. I
496916.1694 0.8233 -5.2612 3 231.6996309 89502 303511041 50 942 a-Alanine, conf. I
496916.1699 0.8233 -5.2612 3 231.6996309 89502 303511141 50 842 a-Alanine, conf. I
496925.8255 1.2049 -5.1638 3 806.9224543 89502 303902862 892861 a-Alanine, conf. I
496950.6122 0.2243 -5.0899 3 404.1391327 89502 303544410 534310 a-Alanine, conf. I
496950.6122 0.2243 -3.9619 3 404.1391327 89502 303544410 534311 a-Alanine, conf. I
496950.6122 0.2243 -3.9619 3 404.1391327 89502 303544411 534310 a-Alanine, conf. I
496950.6122 0.2243 -5.0899 3 404.1391327 89502 303544411 534311 a-Alanine, conf. I
497034.8825 5.4951 -5.1557 3 793.8431531 89502 303883454 873453 a-Alanine, conf. I
497040.6619 1.2057 -4.9466 3 806.9224543 89502 303902962 892861 a-Alanine, conf. I
497062.0395 0.3572 -5.1922 3 441.0466381 89502 303633429 623329 a-Alanine, conf. I
497062.0395 0.3572 -4.1979 3 441.0466381 89502 303633429 623330 a-Alanine, conf. I
497062.0395 0.3572 -4.1979 3 441.0466381 89502 303633430 623329 a-Alanine, conf. I
497062.0395 0.3572 -5.1922 3 441.0466381 89502 303633430 623330 a-Alanine, conf. I
497149.7795 0.9463 -5.3693 3 403.2356405 89502 303671255 661155 a-Alanine, conf. I
497149.7795 0.9463 -5.3693 3 403.2356405 89502 303671355 661255 a-Alanine, conf. I
497187.2027 2.1645 -5.5548 3 946.7738549 89502 303915140 905139 a-Alanine, conf. I
497187.2027 2.1645 -5.5548 3 946.7738549 89502 303915141 905140 a-Alanine, conf. I
497198.3978 0.3976 -4.2756 3 455.0243393 89502 303653234 643133 a-Alanine, conf. I
497198.4017 0.3976 -5.2191 3 455.0243393 89502 303653233 643133 a-Alanine, conf. I
497198.4162 0.3976 -5.2191 3 455.0243393 89502 303653234 643134 a-Alanine, conf. I
497198.4201 0.3976 -4.2756 3 455.0243393 89502 303653233 643134 a-Alanine, conf. I
497220.1893 2.9193 -5.2565 3 921.4702669 89502 303B1 0B1 B0 0B0 a-Alanine, conf. I
497220.1893 2.9193 -4.6186 3 921.4702669 89502 303B1 0B1 B0 1B0 a-Alanine, conf. I
497220.1893 2.9193 -4.6186 3 921.4702669 89502 303B1 1B1 B0 0B0 a-Alanine, conf. I
497220.1893 2.9193 -5.2565 3 921.4702669 89502 303B1 1B1 B0 1B0 a-Alanine, conf. I
497221.6239 0.3779 -4.2347 3 447.8214387 89502 303643332 633231 a-Alanine, conf. I
497221.6240 0.3779 -5.2054 3 447.8214387 89502 303643331 633231 a-Alanine, conf. I
497221.6245 0.3779 -5.2054 3 447.8214387 89502 303643332 633232 a-Alanine, conf. I
497221.6246 0.3779 -4.2347 3 447.8214387 89502 303643331 633232 a-Alanine, conf. I
497252.5516 1.2383 -4.9121 3 818.6904549 89502 303912764 902863 a-Alanine, conf. I
497253.7792 1.2683 -5.2465 3 868.8521585 89502 303971978 961977 a-Alanine, conf. I
497253.7792 1.2683 -4.7741 3 868.8521585 89502 303971978 962077 a-Alanine, conf. I
497253.7792 1.2683 -4.7741 3 868.8521585 89502 303972078 961977 a-Alanine, conf. I
497253.7792 1.2683 -5.2465 3 868.8521585 89502 303972078 962077 a-Alanine, conf. I
497260.4239 1.2371 -5.1822 3 818.6904549 89502 303912864 902863 a-Alanine, conf. I
497268.1356 1.2361 -5.1822 3 818.6899549 89502 303912764 902763 a-Alanine, conf. I
497276.0079 1.2350 -4.9121 3 818.6899549 89502 303912864 902763 a-Alanine, conf. I
497280.4616 1.2311 -5.2656 3 895.4855615 89502 303A21290 A11289 a-Alanine, conf. I
497280.4616 1.2311 -4.7090 3 895.4855615 89502 303A21290 A11389 a-Alanine, conf. I
497280.4616 1.2311 -4.7090 3 895.4855615 89502 303A21390 A11289 a-Alanine, conf. I
497280.4616 1.2311 -5.2656 3 895.4855615 89502 303A21390 A11389 a-Alanine, conf. I
497390.0766 3.8379 -5.1423 3 789.7600531 89502 303883356 873355 a-Alanine, conf. I
497478.0211 0.6863 -5.4285 3 215.1055303 89502 30350 842 49 743 a-Alanine, conf. I
497478.0211 0.6863 -5.4285 3 215.1055303 89502 30350 942 49 643 a-Alanine, conf. I
497535.9957 3.1070 -5.3195 3 862.1278543 89502 303904150 894149 a-Alanine, conf. I
497535.9998 3.1070 -5.3195 3 862.1278543 89502 303904149 894148 a-Alanine, conf. I
497596.7499 2.2474 -5.5305 3 939.1358549 89502 303915041 905040 a-Alanine, conf. I
497596.7499 2.2474 -5.5305 3 939.1358549 89502 303915042 905041 a-Alanine, conf. I
497630.3768 0.2260 -5.0994 3 407.3356333 89502 303554312 544212 a-Alanine, conf. I
497630.3768 0.2260 -3.9807 3 407.3356333 89502 303554312 544213 a-Alanine, conf. I
497630.3768 0.2260 -3.9807 3 407.3356333 89502 303554313 544212 a-Alanine, conf. I
497630.3768 0.2260 -5.0994 3 407.3356333 89502 303554313 544213 a-Alanine, conf. I
497634.4046 1.4069 -5.2695 3 907.9212633 89502 303A5 897 A4 896 a-Alanine, conf. I
497634.4046 1.4069 -4.6795 3 907.9212633 89502 303A5 897 A4 996 a-Alanine, conf. I
497634.4046 1.4069 -4.6795 3 907.9212633 89502 303A5 997 A4 896 a-Alanine, conf. I
497634.4046 1.4069 -5.2695 3 907.9212633 89502 303A5 997 A4 996 a-Alanine, conf. I
497635.3459 1.9589 -5.2665 3 916.6055651 89502 303A8 4A4 A7 4A3 a-Alanine, conf. I
497635.3459 1.9589 -4.6500 3 916.6055651 89502 303A8 4A4 A7 5A3 a-Alanine, conf. I
497635.3459 1.9589 -4.6500 3 916.6055651 89502 303A8 5A4 A7 4A3 a-Alanine, conf. I
497635.3459 1.9589 -5.2665 3 916.6055651 89502 303A8 5A4 A7 5A3 a-Alanine, conf. I
497661.8204 1.5922 -5.3135 3 515.1490429 89502 303712843 702743 a-Alanine, conf. I
497673.6148 1.2929 -5.1420 3 794.6888537 89502 303892960 882959 a-Alanine, conf. I
497682.3918 2.8010 -5.1307 3 785.9587531 89502 303883257 873256 a-Alanine, conf. I
497702.8751 0.5090 -5.2932 3 501.6962423 89502 303702843 692743 a-Alanine, conf. I
497712.2236 5.3655 -4.9154 3 345.2225357 89502 303592039 581940 a-Alanine, conf. I
497753.4044 3.0251 -5.3055 3 485.1053423 89502 303702248 692148 a-Alanine, conf. I
497775.9459 1.3790 -5.3090 3 511.7056429 89502 303712745 702645 a-Alanine, conf. I
497918.0345 1.2769 -5.2335 3 856.1901573 89502 303952273 942272 a-Alanine, conf. I
497918.0345 1.2769 -4.8142 3 856.1901573 89502 303952273 942372 a-Alanine, conf. I
497918.0345 1.2769 -4.8142 3 856.1901573 89502 303952373 942272 a-Alanine, conf. I
497918.0345 1.2769 -5.2335 3 856.1901573 89502 303952373 942372 a-Alanine, conf. I
497948.9985 1.2408 -5.2635 3 887.8433603 89502 303A01585 991584 a-Alanine, conf. I
497948.9985 1.2408 -4.7377 3 887.8433603 89502 303A01585 991684 a-Alanine, conf. I
497948.9985 1.2408 -4.7377 3 887.8433603 89502 303A01685 991584 a-Alanine, conf. I
497948.9985 1.2408 -5.2635 3 887.8433603 89502 303A01685 991684 a-Alanine, conf. I
497996.6393 1.2558 -4.8871 3 830.0964555 89502 303922666 912765 a-Alanine, conf. I
497997.0833 1.2557 -5.1989 3 830.0964555 89502 303922766 912765 a-Alanine, conf. I
497997.5551 1.2557 -5.1989 3 830.0964555 89502 303922666 912665 a-Alanine, conf. I
497997.9991 1.2556 -4.8871 3 830.0964555 89502 303922766 912665 a-Alanine, conf. I
498005.1263 4.0140 -5.2099 3 819.1302537 89502 303893654 883653 a-Alanine, conf. I
498038.2083 2.3346 -5.5068 3 931.6755549 89502 303914942 904941 a-Alanine, conf. I
498038.2083 2.3346 -5.5068 3 931.6755549 89502 303914943 904942 a-Alanine, conf. I
498075.2351 2.8536 -5.3050 3 485.1094423 89502 303702348 692248 a-Alanine, conf. I
498084.4163 4.1109 -5.2097 3 819.1329537 89502 303893653 883652 a-Alanine, conf. I
498216.1963 1.4247 -5.3210 3 434.7962411 89502 303681652 671552 a-Alanine, conf. I
498216.1983 1.4247 -5.3210 3 434.7962411 89502 303681752 671652 a-Alanine, conf. I
498294.8440 0.2342 -5.1093 3 410.8882339 89502 303564214 554114 a-Alanine, conf. I
498294.8440 0.2342 -4.0007 3 410.8882339 89502 303564214 554115 a-Alanine, conf. I
498294.8440 0.2342 -4.0007 3 410.8882339 89502 303564215 554114 a-Alanine, conf. I
498294.8440 0.2342 -5.1093 3 410.8882339 89502 303564215 554115 a-Alanine, conf. I
498502.6513 1.2576 -5.2728 3 903.0778621 89502 303A31192 A21191 a-Alanine, conf. I
498502.6513 1.2576 -4.7069 3 903.0778621 89502 303A31192 A21291 a-Alanine, conf. I
498502.6513 1.2576 -4.7069 3 903.0778621 89502 303A31292 A21191 a-Alanine, conf. I
498502.6513 1.2576 -5.2728 3 903.0778621 89502 303A31292 A21291 a-Alanine, conf. I
498515.2345 2.4265 -5.4837 3 924.3950549 89502 303914843 904842 a-Alanine, conf. I
498515.2345 2.4265 -5.4837 3 924.3950549 89502 303914844 904843 a-Alanine, conf. I
498516.8892 3.2724 -5.3003 3 856.3824543 89502 303904051 894050 a-Alanine, conf. I
498516.9308 3.2724 -5.3003 3 856.3824543 89502 303904050 894049 a-Alanine, conf. I
498537.1844 0.8982 -5.3902 3 397.8826405 89502 303671156 661056 a-Alanine, conf. I
498537.1844 0.8982 -5.3902 3 397.8826405 89502 303671256 661156 a-Alanine, conf. I
498539.9209 1.2720 -5.2571 3 878.0915591 89502 303981880 971879 a-Alanine, conf. I
498539.9209 1.2720 -4.7691 3 878.0915591 89502 303981880 971979 a-Alanine, conf. I
498539.9209 1.2720 -4.7691 3 878.0915591 89502 303981980 971879 a-Alanine, conf. I
498539.9209 1.2720 -5.2571 3 878.0915591 89502 303981980 971979 a-Alanine, conf. I
498663.6751 2.1785 -5.2704 3 922.3188657 89502 303A9 3A6 A8 3A5 a-Alanine, conf. I
498663.6751 2.1785 -4.6481 3 922.3188657 89502 303A9 3A6 A8 4A5 a-Alanine, conf. I
498663.6751 2.1785 -4.6481 3 922.3188657 89502 303A9 4A6 A8 3A5 a-Alanine, conf. I
498663.6751 2.1785 -5.2704 3 922.3188657 89502 303A9 4A6 A8 4A5 a-Alanine, conf. I
498694.5594 3.1293 -5.3130 3 505.2554429 89502 303712547 702447 a-Alanine, conf. I
498769.3109 1.5176 -5.2750 3 914.5824639 89502 303A6 799 A5 798 a-Alanine, conf. I
498769.3109 1.5176 -4.6778 3 914.5824639 89502 303A6 799 A5 898 a-Alanine, conf. I
498769.3109 1.5176 -4.6778 3 914.5824639 89502 303A6 899 A5 798 a-Alanine, conf. I
498769.3109 1.5176 -5.2750 3 914.5824639 89502 303A6 899 A5 898 a-Alanine, conf. I
498814.1905 0.3529 -5.0558 3 402.2944303 89502 3035049 1 4948 1 a-Alanine, conf. I
498814.1905 0.3529 -3.8932 3 402.2944303 89502 3035049 1 4948 2 a-Alanine, conf. I
498814.1905 0.3529 -3.8932 3 402.2944303 89502 3035049 2 4948 1 a-Alanine, conf. I
498814.1905 0.3529 -5.0558 3 402.2944303 89502 3035049 2 4948 2 a-Alanine, conf. I
498838.5666 2.0877 -4.9726 3 290.8840333 89502 303551639 541540 a-Alanine, conf. I
498914.0457 2.0665 -4.9725 3 290.8839333 89502 303551739 541440 a-Alanine, conf. I
498932.7726 1.2715 -4.8682 3 841.1873561 89502 303932568 922667 a-Alanine, conf. I
498932.7936 1.2715 -5.2144 3 841.1873561 89502 303932668 922667 a-Alanine, conf. I
498932.8176 1.2714 -5.2144 3 841.1873561 89502 303932568 922567 a-Alanine, conf. I
498932.8387 1.2714 -4.8682 3 841.1873561 89502 303932668 922567 a-Alanine, conf. I
498940.1538 0.2468 -5.1196 3 414.8000345 89502 303574116 564016 a-Alanine, conf. I
498940.1538 0.2468 -4.0218 3 414.8000345 89502 303574116 564017 a-Alanine, conf. I
498940.1538 0.2468 -4.0218 3 414.8000345 89502 303574117 564016 a-Alanine, conf. I
498940.1538 0.2468 -5.1196 3 414.8000345 89502 303574117 564017 a-Alanine, conf. I
498995.8167 2.2416 -4.9969 3 794.6888537 89502 303893060 882959 a-Alanine, conf. I
499032.1375 2.5236 -5.4611 3 917.2967549 89502 303914744 904743 a-Alanine, conf. I
499032.1375 2.5236 -5.4611 3 917.2967549 89502 303914745 904744 a-Alanine, conf. I
499092.5369 4.8957 -5.0557 3 750.8948519 89502 303863155 853154 a-Alanine, conf. I
499155.6319 1.2878 -5.2458 3 866.1783579 89502 303962175 952174 a-Alanine, conf. I
499155.6319 1.2878 -4.8060 3 866.1783579 89502 303962175 952274 a-Alanine, conf. I
499155.6319 1.2878 -4.8060 3 866.1783579 89502 303962275 952174 a-Alanine, conf. I
499155.6319 1.2878 -5.2458 3 866.1783579 89502 303962275 952274 a-Alanine, conf. I
499164.1438 1.1608 -4.5653 3 501.6962423 89502 303702842 692743 a-Alanine, conf. I
499196.5936 0.4544 -4.4716 3 492.2141417 89502 303692941 682840 a-Alanine, conf. I
499216.5201 1.2430 -5.2721 3 896.1415609 89502 303A11487 A01486 a-Alanine, conf. I
499216.5201 1.2430 -4.7349 3 896.1415609 89502 303A11487 A01586 a-Alanine, conf. I
499216.5201 1.2430 -4.7349 3 896.1415609 89502 303A11587 A01486 a-Alanine, conf. I
499216.5201 1.2430 -5.2721 3 896.1415609 89502 303A11587 A01586 a-Alanine, conf. I
499303.9312 1.9068 -5.0833 3 765.0006525 89502 303873057 863056 a-Alanine, conf. I
499309.6567 0.4375 -5.2770 3 492.2141417 89502 303692940 682840 a-Alanine, conf. I
499375.6475 2.0144 -5.3068 3 460.4220417 89502 303691950 681850 a-Alanine, conf. I
499376.9632 2.0136 -5.3068 3 460.4220417 89502 303692050 681950 a-Alanine, conf. I
499390.4207 3.5475 -5.3819 3 284.2945321 89502 303532232 521933 a-Alanine, conf. I
499532.5802 0.3069 -5.0636 3 403.9273309 89502 3035148 3 5047 3 a-Alanine, conf. I
499532.5802 0.3069 -3.9077 3 403.9273309 89502 3035148 3 5047 4 a-Alanine, conf. I
499532.5802 0.3069 -3.9077 3 403.9273309 89502 3035148 4 5047 3 a-Alanine, conf. I
499532.5802 0.3069 -5.0636 3 403.9273309 89502 3035148 4 5047 4 a-Alanine, conf. I
499541.8430 12.2061 -5.0054 3 713.2765507 89502 303843055 832954 a-Alanine, conf. I
499561.3962 0.2619 -5.1303 3 419.0745351 89502 303584018 573918 a-Alanine, conf. I
499561.3962 0.2619 -4.0443 3 419.0745351 89502 303584018 573919 a-Alanine, conf. I
499561.3962 0.2619 -4.0443 3 419.0745351 89502 303584019 573918 a-Alanine, conf. I
499561.3962 0.2619 -5.1303 3 419.0745351 89502 303584019 573919 a-Alanine, conf. I
499584.1935 0.4387 -5.2765 3 492.2012417 89502 303692941 682841 a-Alanine, conf. I
499594.0494 2.6267 -5.4391 3 910.3834549 89502 303914645 904644 a-Alanine, conf. I
499594.0494 2.6267 -5.4391 3 910.3834549 89502 303914646 904645 a-Alanine, conf. I
499616.6922 1.3152 -5.0876 3 261.0803321 89502 303531340 521241 a-Alanine, conf. I
499617.0232 1.3151 -5.0876 3 261.0803321 89502 303531440 521141 a-Alanine, conf. I
499631.2414 3.4633 -5.2816 3 850.8579543 89502 303903952 893951 a-Alanine, conf. I
499631.6220 3.4638 -5.2816 3 850.8579543 89502 303903951 893950 a-Alanine, conf. I
499660.7899 2.4257 -5.2739 3 927.7998663 89502 303B0 2A8 A9 2A7 a-Alanine, conf. I
499660.7899 2.4257 -4.6461 3 927.7998663 89502 303B0 2A8 A9 3A7 a-Alanine, conf. I
499660.7899 2.4257 -4.6461 3 927.7998663 89502 303B0 3A8 A9 2A7 a-Alanine, conf. I
499660.7899 2.4257 -5.2739 3 927.7998663 89502 303B0 3A8 A9 3A7 a-Alanine, conf. I
499697.2566 0.4567 -4.4708 3 492.2012417 89502 303692940 682841 a-Alanine, conf. I
499703.6819 1.3006 -5.2797 3 910.4484627 89502 303A41094 A31093 a-Alanine, conf. I
499703.6819 1.3006 -4.7050 3 910.4484627 89502 303A41094 A31193 a-Alanine, conf. I
499703.6819 1.3006 -4.7050 3 910.4484627 89502 303A41194 A31093 a-Alanine, conf. I
499703.6819 1.3006 -5.2797 3 910.4484627 89502 303A41194 A31193 a-Alanine, conf. I
499731.2710 2.1358 -5.3299 3 528.7200435 89502 303722844 712744 a-Alanine, conf. I
499735.8098 4.3744 -4.6639 3 498.4796423 89502 303702743 692644 a-Alanine, conf. I
499827.5722 1.2734 -5.2671 3 887.1033597 89502 303991782 981781 a-Alanine, conf. I
499827.5722 1.2734 -4.7649 3 887.1033597 89502 303991782 981881 a-Alanine, conf. I
499827.5722 1.2734 -4.7649 3 887.1033597 89502 303991882 981781 a-Alanine, conf. I
499827.5722 1.2734 -5.2671 3 887.1033597 89502 303991882 981881 a-Alanine, conf. I
499844.0819 0.8825 -5.4146 3 392.3814405 89502 303671057 66 957 a-Alanine, conf. I
499844.0819 0.8825 -5.4146 3 392.3814405 89502 303671157 661057 a-Alanine, conf. I
499877.1197 1.6565 -5.2802 3 921.0179645 89502 303A7 6A1 A6 6A0 a-Alanine, conf. I
499877.1197 1.6565 -4.6761 3 921.0179645 89502 303A7 6A1 A6 7A0 a-Alanine, conf. I
499877.1197 1.6565 -4.6761 3 921.0179645 89502 303A7 7A1 A6 6A0 a-Alanine, conf. I
499877.1197 1.6565 -5.2802 3 921.0179645 89502 303A7 7A1 A6 7A0 a-Alanine, conf. I
499942.7474 4.2917 -5.1921 3 814.5768537 89502 303893555 883554 a-Alanine, conf. I
499997.0469 1.2861 -4.8534 3 851.9899567 89502 303942470 932569 a-Alanine, conf. I
499997.0478 1.2861 -5.2289 3 851.9899567 89502 303942570 932569 a-Alanine, conf. I
499997.0488 1.2861 -5.2289 3 851.9899567 89502 303942470 932469 a-Alanine, conf. I
499997.0497 1.2861 -4.8534 3 851.9899567 89502 303942570 932469 a-Alanine, conf. I
500047.4280 1.2798 -5.3325 3 429.9653411 89502 303681553 671453 a-Alanine, conf. I
500047.4281 1.2798 -5.3325 3 429.9653411 89502 303681653 671553 a-Alanine, conf. I
500125.0394 1.6229 -5.0047 3 811.3335543 89502 303902961 893060 a-Alanine, conf. I
500152.2825 0.2787 -5.1414 3 423.7156357 89502 303593920 583820 a-Alanine, conf. I
500152.2825 0.2787 -4.0681 3 423.7156357 89502 303593920 583821 a-Alanine, conf. I
500152.2825 0.2787 -4.0681 3 423.7156357 89502 303593921 583820 a-Alanine, conf. I
500152.2825 0.2787 -5.1414 3 423.7156357 89502 303593921 583821 a-Alanine, conf. I
500207.1570 2.7367 -5.4177 3 903.6582549 89502 303914546 904545 a-Alanine, conf. I
500207.1570 2.7367 -5.4177 3 903.6582549 89502 303914547 904546 a-Alanine, conf. I
500245.2239 0.2714 -5.0717 3 405.9072315 89502 3035247 5 5146 5 a-Alanine, conf. I
500245.2239 0.2714 -3.9230 3 405.9072315 89502 3035247 5 5146 6 a-Alanine, conf. I
500245.2239 0.2714 -3.9230 3 405.9072315 89502 3035247 6 5146 5 a-Alanine, conf. I
500245.2239 0.2714 -5.0717 3 405.9072315 89502 3035247 6 5146 6 a-Alanine, conf. I
500316.4639 9.6679 -4.8969 3 411.1650387 89502 303642341 632242 a-Alanine, conf. I
500407.0755 4.8065 -5.1913 3 814.5947537 89502 303893554 883553 a-Alanine, conf. I
500419.3973 1.2965 -5.2575 3 875.9259585 89502 303972077 962076 a-Alanine, conf. I
500419.3973 1.2965 -4.7992 3 875.9259585 89502 303972077 962176 a-Alanine, conf. I
500419.3973 1.2965 -4.7992 3 875.9259585 89502 303972177 962076 a-Alanine, conf. I
500419.3973 1.2965 -5.2575 3 875.9259585 89502 303972177 962176 a-Alanine, conf. I
500420.7937 1.5116 -5.1461 3 798.7582537 89502 303893159 883158 a-Alanine, conf. I
500469.5060 1.2502 -5.2803 3 904.2180615 89502 303A21389 A11388 a-Alanine, conf. I
500469.5060 1.2502 -4.7325 3 904.2180615 89502 303A21389 A11488 a-Alanine, conf. I
500469.5060 1.2502 -4.7325 3 904.2180615 89502 303A21489 A11388 a-Alanine, conf. I
500469.5060 1.2502 -5.2803 3 904.2180615 89502 303A21489 A11488 a-Alanine, conf. I
500625.7630 2.6998 -5.2770 3 933.0462669 89502 303B1 1B0 B0 1A9 a-Alanine, conf. I
500625.7630 2.6998 -4.6440 3 933.0462669 89502 303B1 1B0 B0 2A9 a-Alanine, conf. I
500625.7630 2.6998 -4.6440 3 933.0462669 89502 303B1 2B0 B0 1A9 a-Alanine, conf. I
500625.7630 2.6998 -5.2770 3 933.0462669 89502 303B1 2B0 B0 2A9 a-Alanine, conf. I
500704.6864 0.2964 -5.1529 3 428.7283363 89502 303603822 593722 a-Alanine, conf. I
500704.6864 0.2964 -4.0936 3 428.7283363 89502 303603822 593723 a-Alanine, conf. I
500704.6864 0.2964 -4.0936 3 428.7283363 89502 303603823 593722 a-Alanine, conf. I
500704.6864 0.2964 -5.1529 3 428.7283363 89502 303603823 593723 a-Alanine, conf. I
500756.7758 11.9920 -4.8896 3 617.4625471 89502 303782950 772849 a-Alanine, conf. I
500814.9172 4.8248 -5.0892 3 815.4504543 89502 303903060 893159 a-Alanine, conf. I
500862.6354 1.2396 -5.1665 3 811.3335543 89502 303903061 893060 a-Alanine, conf. I
500879.0263 2.8551 -5.3967 3 897.1248549 89502 303914447 904446 a-Alanine, conf. I
500879.0263 2.8551 -5.3967 3 897.1248549 89502 303914448 904447 a-Alanine, conf. I
500881.7097 1.3642 -5.2862 3 917.5963633 89502 303A5 996 A4 995 a-Alanine, conf. I
500881.7097 1.3642 -4.7033 3 917.5963633 89502 303A5 996 A41095 a-Alanine, conf. I
500881.7097 1.3642 -4.7033 3 917.5963633 89502 303A51096 A4 995 a-Alanine, conf. I
500881.7097 1.3642 -5.2862 3 917.5963633 89502 303A51096 A41095 a-Alanine, conf. I
500914.9810 3.6896 -5.2631 3 845.5655543 89502 303903853 893852 a-Alanine, conf. I
500918.1275 3.6941 -5.2631 3 845.5656543 89502 303903852 893851 a-Alanine, conf. I
500950.7960 0.2472 -5.0802 3 408.2355321 89502 3035346 7 5245 7 a-Alanine, conf. I
500950.7960 0.2472 -3.9392 3 408.2355321 89502 3035346 7 5245 8 a-Alanine, conf. I
500950.7960 0.2472 -3.9392 3 408.2355321 89502 3035346 8 5245 7 a-Alanine, conf. I
500950.7960 0.2472 -5.0802 3 408.2355321 89502 3035346 8 5245 8 a-Alanine, conf. I
500956.5918 1.8241 -5.2851 3 927.2260651 89502 303A8 5A3 A7 5A2 a-Alanine, conf. I
500956.5918 1.8241 -4.6744 3 927.2260651 89502 303A8 5A3 A7 6A2 a-Alanine, conf. I
500956.5918 1.8241 -4.6744 3 927.2260651 89502 303A8 6A3 A7 5A2 a-Alanine, conf. I
500956.5918 1.8241 -5.2851 3 927.2260651 89502 303A8 6A3 A7 6A2 a-Alanine, conf. I
500990.3651 1.2634 -4.9559 3 823.5019549 89502 303912863 902962 a-Alanine, conf. I
501011.6123 7.8652 -4.7508 3 482.3496417 89502 303692643 682544 a-Alanine, conf. I
501018.2659 0.4325 -4.4012 3 483.2920411 89502 303683039 672938 a-Alanine, conf. I
501024.7466 0.4336 -5.2604 3 483.2920411 89502 303683038 672938 a-Alanine, conf. I
501043.3315 0.4365 -5.2604 3 483.2912411 89502 303683039 672939 a-Alanine, conf. I
501049.8123 0.4377 -4.4012 3 483.2912411 89502 303683038 672939 a-Alanine, conf. I
501050.6129 1.2515 -5.1863 3 823.5019549 89502 303912963 902962 a-Alanine, conf. I
501080.0058 0.8997 -5.4432 3 386.7344405 89502 30367 958 66 858 a-Alanine, conf. I
501080.0058 0.8997 -5.4432 3 386.7344405 89502 303671058 66 958 a-Alanine, conf. I
501105.2015 1.2454 -5.1862 3 823.4980549 89502 303912863 902862 a-Alanine, conf. I
501111.2422 1.2734 -5.2767 3 895.8900603 89502 303A01684 991683 a-Alanine, conf. I
501111.2422 1.2734 -4.7614 3 895.8900603 89502 303A01684 991783 a-Alanine, conf. I
501111.2422 1.2734 -4.7614 3 895.8900603 89502 303A01784 991683 a-Alanine, conf. I
501111.2422 1.2734 -5.2767 3 895.8900603 89502 303A01784 991783 a-Alanine, conf. I
501111.2755 2.4770 -4.9484 3 304.2079339 89502 303561739 551640 a-Alanine, conf. I
501146.2636 1.2999 -4.8418 3 862.5226573 89502 303952372 942471 a-Alanine, conf. I
501146.2637 1.2999 -5.2426 3 862.5226573 89502 303952372 942371 a-Alanine, conf. I
501146.2637 1.2999 -4.8418 3 862.5226573 89502 303952472 942371 a-Alanine, conf. I
501146.2637 1.2999 -5.2426 3 862.5226573 89502 303952472 942471 a-Alanine, conf. I
501165.4493 1.2415 -4.9556 3 823.4980549 89502 303912963 902862 a-Alanine, conf. I
501207.9866 0.3150 -5.1648 3 434.1184369 89502 303613724 603624 a-Alanine, conf. I
501207.9866 0.3150 -4.1208 3 434.1184369 89502 303613724 603625 a-Alanine, conf. I
501207.9866 0.3150 -4.1208 3 434.1184369 89502 303613725 603624 a-Alanine, conf. I
501207.9866 0.3150 -5.1648 3 434.1184369 89502 303613725 603625 a-Alanine, conf. I
501276.5436 2.4255 -5.3459 3 542.5585441 89502 303732845 722745 a-Alanine, conf. I
501369.8576 3.6991 -5.3165 3 501.7086429 89502 303712348 702248 a-Alanine, conf. I
501405.7097 2.3932 -4.9480 3 304.2077339 89502 303561839 551540 a-Alanine, conf. I
501447.2413 1.2481 -5.1653 3 811.2894543 89502 303902961 892960 a-Alanine, conf. I
501503.5676 2.5837 -5.3083 3 481.2055423 89502 303702149 692049 a-Alanine, conf. I
501550.1776 2.5572 -5.3082 3 481.2060423 89502 303702249 692149 a-Alanine, conf. I
501557.7226 3.0001 -5.2798 3 938.0557675 89502 303B2 0B2 B1 0B1 a-Alanine, conf. I
501557.7226 3.0001 -4.6419 3 938.0557675 89502 303B2 0B2 B1 1B1 a-Alanine, conf. I
501557.7226 3.0001 -4.6419 3 938.0557675 89502 303B2 1B2 B1 0B1 a-Alanine, conf. I
501557.7226 3.0001 -5.2798 3 938.0557675 89502 303B2 1B2 B1 1B1 a-Alanine, conf. I
501561.0340 1.2747 -4.9243 3 835.2772555 89502 303922765 912864 a-Alanine, conf. I
501564.9743 1.2741 -5.2044 3 835.2772555 89502 303922865 912864 a-Alanine, conf. I
501568.9063 1.2736 -5.2044 3 835.2770555 89502 303922765 912764 a-Alanine, conf. I
501572.8466 1.2731 -4.9243 3 835.2770555 89502 303922865 912764 a-Alanine, conf. I
501619.0664 2.9835 -5.3763 3 890.7876549 89502 303914349 904348 a-Alanine, conf. I
501619.0665 2.9835 -5.3763 3 890.7876549 89502 303914348 904347 a-Alanine, conf. I
501624.8117 7.5290 -5.0921 3 770.1855525 89502 303873255 863254 a-Alanine, conf. I
501647.6318 0.2342 -5.0892 3 410.9141327 89502 3035445 9 5344 9 a-Alanine, conf. I
501647.6318 0.2342 -3.9564 3 410.9141327 89502 3035445 9 534410 a-Alanine, conf. I
501647.6318 0.2342 -3.9564 3 410.9141327 89502 303544510 5344 9 a-Alanine, conf. I
501647.6318 0.2342 -5.0892 3 410.9141327 89502 303544510 534410 a-Alanine, conf. I
501648.0957 0.3345 -5.1771 3 439.8929375 89502 303623626 613526 a-Alanine, conf. I
501648.0957 0.3345 -4.1501 3 439.8929375 89502 303623626 613527 a-Alanine, conf. I
501648.0957 0.3345 -4.1501 3 439.8929375 89502 303623627 613526 a-Alanine, conf. I
501648.0957 0.3345 -5.1771 3 439.8929375 89502 303623627 613527 a-Alanine, conf. I
501698.2932 1.3024 -5.2687 3 885.4387591 89502 303981979 971978 a-Alanine, conf. I
501698.2932 1.3024 -4.7937 3 885.4387591 89502 303981979 972078 a-Alanine, conf. I
501698.2932 1.3024 -4.7937 3 885.4387591 89502 303982079 971978 a-Alanine, conf. I
501698.2932 1.3024 -5.2687 3 885.4387591 89502 303982079 972078 a-Alanine, conf. I
501705.2390 1.2660 -5.2881 3 912.0730621 89502 303A31291 A21290 a-Alanine, conf. I
501705.2390 1.2660 -4.7304 3 912.0730621 89502 303A31291 A21390 a-Alanine, conf. I
501705.2390 1.2660 -4.7304 3 912.0730621 89502 303A31391 A21290 a-Alanine, conf. I
501705.2390 1.2660 -5.2881 3 912.0730621 89502 303A31391 A21390 a-Alanine, conf. I
501708.7412 0.9678 -5.1982 3 244.3450315 89502 303521141 511042 a-Alanine, conf. I
501708.7450 0.9678 -5.1982 3 244.3450315 89502 303521241 51 942 a-Alanine, conf. I
501721.7602 3.9102 -4.9187 3 331.3851351 89502 303581939 571840 a-Alanine, conf. I
501737.8270 1.1554 -5.3458 3 424.9712411 89502 303681454 671354 a-Alanine, conf. I
501737.8270 1.1554 -5.3458 3 424.9712411 89502 303681554 671454 a-Alanine, conf. I
501755.9921 11.2560 -5.2053 3 836.2744549 89502 303913160 903259 a-Alanine, conf. I
501783.1124 1.8038 -5.3137 3 456.0102417 89502 303691851 681751 a-Alanine, conf. I
501783.2403 1.8038 -5.3137 3 456.0102417 89502 303691951 681851 a-Alanine, conf. I
501868.0638 0.4305 -4.3447 3 474.9201405 89502 303673137 663036 a-Alanine, conf. I
501868.3512 0.4305 -5.2451 3 474.9201405 89502 303673136 663036 a-Alanine, conf. I
501869.2934 0.4307 -5.2450 3 474.9201405 89502 303673137 663037 a-Alanine, conf. I
501869.5808 0.4308 -4.3447 3 474.9201405 89502 303673136 663037 a-Alanine, conf. I
501902.2471 2.2714 -5.1103 3 781.6556531 89502 303883058 873057 a-Alanine, conf. I
501949.5375 4.3094 -5.1751 3 810.3226537 89502 303893456 883455 a-Alanine, conf. I
502005.9780 0.3548 -5.1898 3 446.0601381 89502 303633528 623428 a-Alanine, conf. I
502005.9780 0.3548 -4.1818 3 446.0601381 89502 303633528 623429 a-Alanine, conf. I
502005.9780 0.3548 -4.1818 3 446.0601381 89502 303633529 623428 a-Alanine, conf. I
502005.9780 0.3548 -5.1898 3 446.0601381 89502 303633529 623429 a-Alanine, conf. I
502006.5887 2.0204 -5.2895 3 933.2048657 89502 303A9 4A5 A8 4A4 a-Alanine, conf. I
502006.5887 2.0204 -4.6728 3 933.2048657 89502 303A9 4A5 A8 5A4 a-Alanine, conf. I
502006.5887 2.0204 -4.6728 3 933.2048657 89502 303A9 5A5 A8 4A4 a-Alanine, conf. I
502006.5887 2.0204 -5.2895 3 933.2048657 89502 303A9 5A5 A8 5A4 a-Alanine, conf. I
502035.0950 1.4521 -5.2923 3 924.5205639 89502 303A6 898 A5 897 a-Alanine, conf. I
502035.0950 1.4521 -4.7017 3 924.5205639 89502 303A6 898 A5 997 a-Alanine, conf. I
502035.0950 1.4521 -4.7017 3 924.5205639 89502 303A6 998 A5 897 a-Alanine, conf. I
502035.0950 1.4521 -5.2923 3 924.5205639 89502 303A6 998 A5 997 a-Alanine, conf. I
502184.8374 1.6412 -5.0007 3 811.2894543 89502 303903061 892960 a-Alanine, conf. I
502252.8836 0.9473 -5.4770 3 380.9438405 89502 30367 859 66 759 a-Alanine, conf. I
502252.8836 0.9473 -5.4770 3 380.9438405 89502 30367 959 66 859 a-Alanine, conf. I
502255.2841 0.3758 -5.2029 3 452.6309387 89502 303643430 633330 a-Alanine, conf. I
502255.2841 0.3758 -4.2163 3 452.6309387 89502 303643431 633330 a-Alanine, conf. I
502255.2842 0.3758 -4.2163 3 452.6309387 89502 303643430 633331 a-Alanine, conf. I
502255.2842 0.3758 -5.2029 3 452.6309387 89502 303643431 633331 a-Alanine, conf. I
502259.1054 0.4161 -4.2965 3 467.0403399 89502 303663235 653134 a-Alanine, conf. I
502259.1155 0.4162 -5.2304 3 467.0403399 89502 303663234 653134 a-Alanine, conf. I
502259.1525 0.4162 -5.2304 3 467.0403399 89502 303663235 653135 a-Alanine, conf. I
502259.1626 0.4162 -4.2965 3 467.0403399 89502 303663234 653135 a-Alanine, conf. I
502333.6416 0.2312 -5.0985 3 413.9449333 89502 303554411 544311 a-Alanine, conf. I
502333.6416 0.2312 -3.9746 3 413.9449333 89502 303554411 544312 a-Alanine, conf. I
502333.6416 0.2312 -3.9746 3 413.9449333 89502 303554412 544311 a-Alanine, conf. I
502333.6416 0.2312 -5.0985 3 413.9449333 89502 303554412 544312 a-Alanine, conf. I
502344.1982 3.0245 -4.9300 3 317.7109345 89502 303571839 561740 a-Alanine, conf. I
502347.4502 0.6274 -5.3066 3 514.9023429 89502 303712844 702744 a-Alanine, conf. I
502352.1709 1.3125 -5.2557 3 872.7989579 89502 303962274 952273 a-Alanine, conf. I
502352.1709 1.3125 -4.8324 3 872.7989579 89502 303962274 952373 a-Alanine, conf. I
502352.1709 1.3125 -4.8324 3 872.7989579 89502 303962374 952273 a-Alanine, conf. I
502352.1709 1.3125 -5.2557 3 872.7989579 89502 303962374 952373 a-Alanine, conf. I
502354.8037 1.2922 -4.9014 3 846.7078561 89502 303932667 922766 a-Alanine, conf. I
502355.0174 1.2922 -5.2211 3 846.7078561 89502 303932767 922766 a-Alanine, conf. I
502355.2477 1.2922 -5.2211 3 846.7078561 89502 303932667 922666 a-Alanine, conf. I
502355.4614 1.2921 -4.9014 3 846.7078561 89502 303932767 922666 a-Alanine, conf. I
502358.3710 0.3968 -4.2542 3 459.6184393 89502 303653333 643232 a-Alanine, conf. I
502358.3713 0.3968 -5.2164 3 459.6184393 89502 303653332 643232 a-Alanine, conf. I
502358.3725 0.3968 -5.2164 3 459.6184393 89502 303653333 643233 a-Alanine, conf. I
502358.3728 0.3968 -4.2542 3 459.6184393 89502 303653332 643233 a-Alanine, conf. I
502386.4780 1.2736 -5.2859 3 904.4531609 89502 303A11586 A01585 a-Alanine, conf. I
502386.4780 1.2736 -4.7585 3 904.4531609 89502 303A11586 A01685 a-Alanine, conf. I
502386.4780 1.2736 -4.7585 3 904.4531609 89502 303A11686 A01585 a-Alanine, conf. I
502386.4780 1.2736 -5.2859 3 904.4531609 89502 303A11686 A01685 a-Alanine, conf. I
502404.8154 3.1603 -5.3148 3 501.7234429 89502 303712448 702348 a-Alanine, conf. I
502411.4699 7.1204 -5.3624 3 552.0440447 89502 303742648 732548 a-Alanine, conf. I
502417.6669 3.9624 -5.2450 3 840.5203543 89502 303903754 893753 a-Alanine, conf. I
502439.2167 3.1246 -5.3564 3 884.6518549 89502 303914250 904249 a-Alanine, conf. I
502439.2176 3.1246 -5.3564 3 884.6518549 89502 303914249 904248 a-Alanine, conf. I
502440.8622 3.9932 -5.2450 3 840.5210543 89502 303903753 893752 a-Alanine, conf. I
502499.4899 1.5789 -4.9358 3 348.1207357 89502 303592238 581939 a-Alanine, conf. I
502517.0529 7.6258 -5.1325 3 790.0316531 89502 303883355 873354 a-Alanine, conf. I
502583.1085 5.2023 -5.3721 3 568.8026453 89502 303752748 742648 a-Alanine, conf. I
502685.3385 0.7497 -5.3427 3 227.5773309 89502 30351 942 50 843 a-Alanine, conf. I
502685.3385 0.7497 -5.3427 3 227.5773309 89502 303511042 50 743 a-Alanine, conf. I
502784.9786 2.0863 -5.3602 3 556.6607447 89502 303742846 732746 a-Alanine, conf. I
502837.4012 0.7165 -5.5383 3 210.8044303 89502 30350 743 49 644 a-Alanine, conf. I
502837.4012 0.7165 -5.5383 3 210.8044303 89502 30350 843 49 544 a-Alanine, conf. I
502894.9083 2.4689 -5.1507 3 802.5596537 89502 303893258 883257 a-Alanine, conf. I
502921.3785 1.2945 -5.2955 3 919.7061627 89502 303A41193 A31192 a-Alanine, conf. I
502921.3785 1.2945 -4.7286 3 919.7061627 89502 303A41193 A31292 a-Alanine, conf. I
502921.3785 1.2945 -4.7286 3 919.7061627 89502 303A41293 A31192 a-Alanine, conf. I
502921.3785 1.2945 -5.2955 3 919.7061627 89502 303A41293 A31292 a-Alanine, conf. I
502983.9252 1.3057 -5.2794 3 894.7210597 89502 303991881 981880 a-Alanine, conf. I
502983.9252 1.3057 -4.7892 3 894.7210597 89502 303991881 981980 a-Alanine, conf. I
502983.9252 1.3057 -4.7892 3 894.7210597 89502 303991981 981880 a-Alanine, conf. I
502983.9252 1.3057 -5.2794 3 894.7210597 89502 303991981 981980 a-Alanine, conf. I
503006.1991 0.2361 -5.1083 3 417.3303339 89502 303564313 554213 a-Alanine, conf. I
503006.1991 0.2361 -3.9938 3 417.3303339 89502 303564313 554214 a-Alanine, conf. I
503006.1991 0.2361 -3.9938 3 417.3303339 89502 303564314 554213 a-Alanine, conf. I
503006.1991 0.2361 -5.1083 3 417.3303339 89502 303564314 554214 a-Alanine, conf. I
503026.0568 2.2450 -5.2936 3 938.9524663 89502 303B0 3A7 A9 3A6 a-Alanine, conf. I
503026.0568 2.2450 -4.6711 3 938.9524663 89502 303B0 3A7 A9 4A6 a-Alanine, conf. I
503026.0568 2.2450 -4.6711 3 938.9524663 89502 303B0 4A7 A9 3A6 a-Alanine, conf. I
503026.0568 2.2450 -5.2936 3 938.9524663 89502 303B0 4A7 A9 4A6 a-Alanine, conf. I
503162.3643 1.5668 -5.2980 3 931.2195645 89502 303A7 7A0 A6 799 a-Alanine, conf. I
503162.3643 1.5668 -4.7002 3 931.2195645 89502 303A7 7A0 A6 899 a-Alanine, conf. I
503162.3643 1.5668 -4.7002 3 931.2195645 89502 303A7 8A0 A6 799 a-Alanine, conf. I
503162.3643 1.5668 -5.2980 3 931.2195645 89502 303A7 8A0 A6 899 a-Alanine, conf. I
503180.6692 2.3689 -5.5468 3 955.7339555 89502 303925042 915041 a-Alanine, conf. I
503180.6692 2.3689 -5.5468 3 955.7339555 89502 303925043 915042 a-Alanine, conf. I
503290.4282 3.6760 -5.1605 3 806.3511537 89502 303893357 883356 a-Alanine, conf. I
503309.1760 1.0538 -5.3613 3 419.8188411 89502 303681355 671255 a-Alanine, conf. I
503309.1760 1.0538 -5.3613 3 419.8188411 89502 303681455 671355 a-Alanine, conf. I
503324.0552 1.3078 -4.8840 3 857.8299567 89502 303942569 932668 a-Alanine, conf. I
503324.0650 1.3078 -5.2366 3 857.8299567 89502 303942669 932668 a-Alanine, conf. I
503324.0763 1.3078 -5.2366 3 857.8299567 89502 303942569 932568 a-Alanine, conf. I
503324.0861 1.3078 -4.8840 3 857.8299567 89502 303942669 932568 a-Alanine, conf. I
503350.2830 0.5704 -4.5042 3 505.1707423 89502 303702942 692841 a-Alanine, conf. I
503355.0014 3.2820 -5.3369 3 878.7238549 89502 303914151 904150 a-Alanine, conf. I
503355.0109 3.2821 -5.3369 3 878.7238549 89502 303914150 904149 a-Alanine, conf. I
503369.3896 1.0205 -5.5175 3 375.0114405 89502 30367 760 66 660 a-Alanine, conf. I
503369.3896 1.0205 -5.5175 3 375.0114405 89502 30367 860 66 760 a-Alanine, conf. I
503391.3400 2.7278 -4.9286 3 317.7097345 89502 303571939 561640 a-Alanine, conf. I
503496.3428 0.3915 -5.0564 3 409.8788303 89502 3035050 0 4949 0 a-Alanine, conf. I
503496.3428 0.3915 -3.8905 3 409.8788303 89502 3035050 0 4949 1 a-Alanine, conf. I
503496.3428 0.3915 -3.8905 3 409.8788303 89502 3035050 1 4949 0 a-Alanine, conf. I
503496.3428 0.3915 -5.0564 3 409.8788303 89502 3035050 1 4949 1 a-Alanine, conf. I
503545.0306 1.5467 -5.0468 3 274.0875327 89502 303541440 531341 a-Alanine, conf. I
503546.7531 1.5462 -5.0468 3 274.0875327 89502 303541540 531241 a-Alanine, conf. I
503581.7413 0.4937 -5.2906 3 505.1707423 89502 303702941 692841 a-Alanine, conf. I
503595.3837 1.3233 -5.2681 3 882.8283585 89502 303972176 962175 a-Alanine, conf. I
503595.3837 1.3233 -4.8248 3 882.8283585 89502 303972176 962275 a-Alanine, conf. I
503595.3837 1.3233 -4.8248 3 882.8283585 89502 303972276 962175 a-Alanine, conf. I
503595.3837 1.3233 -5.2681 3 882.8283585 89502 303972276 962275 a-Alanine, conf. I
503638.4689 1.8440 -5.3224 3 525.1130435 89502 303722746 712646 a-Alanine, conf. I
503639.0072 2.4604 -5.5233 3 948.2883555 89502 303924943 914942 a-Alanine, conf. I
503639.0072 2.4604 -5.5233 3 948.2883555 89502 303924944 914943 a-Alanine, conf. I
503649.6009 1.2763 -5.2947 3 912.7936615 89502 303A21488 A11487 a-Alanine, conf. I
503649.6009 1.2763 -4.7561 3 912.7936615 89502 303A21488 A11587 a-Alanine, conf. I
503649.6009 1.2763 -4.7561 3 912.7936615 89502 303A21588 A11487 a-Alanine, conf. I
503649.6009 1.2763 -5.2947 3 912.7936615 89502 303A21588 A11587 a-Alanine, conf. I
503661.9952 0.2467 -5.1184 3 421.0731345 89502 303574215 564115 a-Alanine, conf. I
503661.9952 0.2467 -4.0142 3 421.0731345 89502 303574215 564116 a-Alanine, conf. I
503661.9952 0.2467 -4.0142 3 421.0731345 89502 303574216 564115 a-Alanine, conf. I
503661.9952 0.2467 -5.1184 3 421.0731345 89502 303574216 564116 a-Alanine, conf. I
503701.6501 4.8108 -5.3305 3 518.4325435 89502 303722448 712348 a-Alanine, conf. I
503740.3588 2.9079 -5.3242 3 521.8901435 89502 303722647 712547 a-Alanine, conf. I
503802.1788 0.4840 -5.5333 3 242.6699297 89502 303492128 481831 a-Alanine, conf. I
503944.2566 1.6182 -5.3220 3 451.4149417 89502 303691752 681652 a-Alanine, conf. I
503944.2675 1.6182 -5.3220 3 451.4149417 89502 303691852 681752 a-Alanine, conf. I
503944.5712 6.3659 -5.3473 3 535.2342441 89502 303732548 722448 a-Alanine, conf. I
504014.0159 2.4973 -5.2972 3 944.4667669 89502 303B1 2A9 B0 2A8 a-Alanine, conf. I
504014.0159 2.4973 -4.6693 3 944.4667669 89502 303B1 2A9 B0 3A8 a-Alanine, conf. I
504014.0159 2.4973 -4.6693 3 944.4667669 89502 303B1 3A9 B0 2A8 a-Alanine, conf. I
504014.0159 2.4973 -5.2972 3 944.4667669 89502 303B1 3A9 B0 3A8 a-Alanine, conf. I
504113.7297 0.4554 -5.2897 3 505.1453423 89502 303702942 692842 a-Alanine, conf. I
504115.8829 1.3401 -5.3026 3 927.1167633 89502 303A51095 A41094 a-Alanine, conf. I
504115.8829 1.3401 -4.7271 3 927.1167633 89502 303A51095 A41194 a-Alanine, conf. I
504115.8829 1.3401 -4.7271 3 927.1167633 89502 303A51195 A41094 a-Alanine, conf. I
504115.8829 1.3401 -5.3026 3 927.1167633 89502 303A51195 A41194 a-Alanine, conf. I
504134.5793 2.5569 -5.5004 3 941.0237555 89502 303924844 914843 a-Alanine, conf. I
504134.5793 2.5569 -5.5004 3 941.0237555 89502 303924845 914844 a-Alanine, conf. I
504163.6236 6.4006 -5.1711 3 810.4224537 89502 303893455 883454 a-Alanine, conf. I
504191.7277 4.2729 -5.2271 3 835.7418543 89502 303903655 893654 a-Alanine, conf. I
504216.7326 0.3394 -5.0639 3 411.3508309 89502 3035149 2 5048 2 a-Alanine, conf. I
504216.7326 0.3394 -3.9045 3 411.3508309 89502 3035149 2 5048 3 a-Alanine, conf. I
504216.7326 0.3394 -3.9045 3 411.3508309 89502 3035149 3 5048 2 a-Alanine, conf. I
504216.7326 0.3394 -5.0639 3 411.3508309 89502 3035149 3 5048 3 a-Alanine, conf. I
504262.1823 1.7100 -5.3034 3 937.6920651 89502 303A8 6A2 A7 6A1 a-Alanine, conf. I
504262.1823 1.7100 -4.6988 3 937.6920651 89502 303A8 6A2 A7 7A1 a-Alanine, conf. I
504262.1823 1.7100 -4.6988 3 937.6920651 89502 303A8 7A2 A7 6A1 a-Alanine, conf. I
504262.1823 1.7100 -5.3034 3 937.6920651 89502 303A8 7A2 A7 7A1 a-Alanine, conf. I
504269.7386 1.3068 -5.2896 3 903.7758603 89502 303A01783 991782 a-Alanine, conf. I
504269.7386 1.3068 -4.7854 3 903.7758603 89502 303A01783 991882 a-Alanine, conf. I
504269.7386 1.3068 -4.7854 3 903.7758603 89502 303A01883 991782 a-Alanine, conf. I
504269.7386 1.3068 -5.2896 3 903.7758603 89502 303A01883 991882 a-Alanine, conf. I
504296.8443 0.2608 -5.1290 3 425.1763351 89502 303584117 574017 a-Alanine, conf. I
504296.8443 0.2608 -4.0358 3 425.1763351 89502 303584117 574018 a-Alanine, conf. I
504296.8443 0.2608 -4.0358 3 425.1763351 89502 303584118 574017 a-Alanine, conf. I
504296.8443 0.2608 -5.1290 3 425.1763351 89502 303584118 574018 a-Alanine, conf. I
504341.6338 4.4563 -5.2268 3 835.7472543 89502 303903654 893653 a-Alanine, conf. I
504345.1880 0.5020 -4.5027 3 505.1453423 89502 303702941 692842 a-Alanine, conf. I
504387.2114 3.4610 -5.3178 3 873.0112549 89502 303914052 904051 a-Alanine, conf. I
504387.3036 3.4612 -5.3178 3 873.0112549 89502 303914051 904050 a-Alanine, conf. I
504409.4918 1.3225 -4.8705 3 868.6680573 89502 303952471 942570 a-Alanine, conf. I
504409.4922 1.3225 -5.2512 3 868.6680573 89502 303952571 942570 a-Alanine, conf. I
504409.4926 1.3225 -5.2512 3 868.6680573 89502 303952471 942470 a-Alanine, conf. I
504409.4930 1.3225 -4.8705 3 868.6680573 89502 303952571 942470 a-Alanine, conf. I
504558.6422 2.2856 -5.3126 3 477.0794423 89502 303702050 691950 a-Alanine, conf. I
504559.9640 2.1694 -5.1369 3 798.3973537 89502 303893059 883058 a-Alanine, conf. I
504564.3887 2.2822 -5.3126 3 477.0795423 89502 303702150 692050 a-Alanine, conf. I
504639.2164 1.4292 -5.0087 3 828.0405549 89502 303912962 903061 a-Alanine, conf. I
504650.5376 3.3658 -5.4610 3 274.1742315 89502 303522231 511932 a-Alanine, conf. I
504671.9779 2.6590 -5.4781 3 933.9426555 89502 303924745 914744 a-Alanine, conf. I
504671.9779 2.6590 -5.4781 3 933.9426555 89502 303924746 914745 a-Alanine, conf. I
504718.5117 13.9493 -5.0005 3 697.2801501 89502 303833054 822953 a-Alanine, conf. I
504778.4085 0.9789 -5.3792 3 414.5121411 89502 303681256 671156 a-Alanine, conf. I
504778.4085 0.9789 -5.3792 3 414.5121411 89502 303681356 671256 a-Alanine, conf. I
504810.8548 1.4004 -5.1684 3 815.4504543 89502 303903160 893159 a-Alanine, conf. I
504861.9973 1.3315 -5.2799 3 892.6181591 89502 303982078 972077 a-Alanine, conf. I
504861.9973 1.3315 -4.8187 3 892.6181591 89502 303982078 972177 a-Alanine, conf. I
504861.9973 1.3315 -4.8187 3 892.6181591 89502 303982178 972077 a-Alanine, conf. I
504861.9973 1.3315 -5.2799 3 892.6181591 89502 303982178 972177 a-Alanine, conf. I
504887.6701 1.8891 -5.5459 3 249.4778303 89502 303502030 491733 a-Alanine, conf. I
504897.5213 1.2845 -5.3031 3 920.9119621 89502 303A31390 A21389 a-Alanine, conf. I
504897.5213 1.2845 -4.7541 3 920.9119621 89502 303A31390 A21489 a-Alanine, conf. I
504897.5213 1.2845 -4.7541 3 920.9119621 89502 303A31490 A21389 a-Alanine, conf. I
504897.5213 1.2845 -5.3031 3 920.9119621 89502 303A31490 A21489 a-Alanine, conf. I
504905.4219 0.2770 -5.1399 3 429.6436357 89502 303594019 583919 a-Alanine, conf. I
504905.4219 0.2770 -4.0588 3 429.6436357 89502 303594019 583920 a-Alanine, conf. I
504905.4219 0.2770 -4.0588 3 429.6436357 89502 303594020 583919 a-Alanine, conf. I
504905.4219 0.2770 -5.1399 3 429.6436357 89502 303594020 583920 a-Alanine, conf. I
504930.3262 3.1773 -5.0743 3 767.5428525 89502 303873156 863155 a-Alanine, conf. I
504931.9176 0.2975 -5.0718 3 413.1690315 89502 3035248 4 5147 4 a-Alanine, conf. I
504931.9176 0.2975 -3.9193 3 413.1690315 89502 3035248 4 5147 5 a-Alanine, conf. I
504931.9176 0.2975 -3.9193 3 413.1690315 89502 3035248 5 5147 4 a-Alanine, conf. I
504931.9176 0.2975 -5.0718 3 413.1690315 89502 3035248 5 5147 5 a-Alanine, conf. I
504969.5487 2.7766 -5.3005 3 949.7453675 89502 303B2 1B1 B1 1B0 a-Alanine, conf. I
504969.5487 2.7766 -4.6674 3 949.7453675 89502 303B2 1B1 B1 2B0 a-Alanine, conf. I
504969.5487 2.7766 -4.6674 3 949.7453675 89502 303B2 2B1 B1 1B0 a-Alanine, conf. I
504969.5487 2.7766 -5.3005 3 949.7453675 89502 303B2 2B1 B1 2B0 a-Alanine, conf. I
505022.0426 0.9518 -5.3730 3 571.0074453 89502 303752847 742747 a-Alanine, conf. I
505044.0930 1.2692 -5.1893 3 828.0405549 89502 303913062 903061 a-Alanine, conf. I
505058.6962 1.9848 -4.6083 3 514.9023429 89502 303712843 702744 a-Alanine, conf. I
505074.7118 2.9900 -4.9152 3 331.3803351 89502 303582039 571740 a-Alanine, conf. I
505225.3102 10.4821 -4.8792 3 438.3945399 89502 303662442 652343 a-Alanine, conf. I
505256.6935 2.7676 -5.4563 3 927.0480555 89502 303924646 914645 a-Alanine, conf. I
505256.6935 2.7676 -5.4563 3 927.0480555 89502 303924647 914646 a-Alanine, conf. I
505263.9825 1.2954 -4.9661 3 840.2151555 89502 303922864 912963 a-Alanine, conf. I
505286.9508 1.4069 -5.3092 3 934.3039639 89502 303A6 997 A5 996 a-Alanine, conf. I
505286.9508 1.4069 -4.7257 3 934.3039639 89502 303A6 997 A51096 a-Alanine, conf. I
505286.9508 1.4069 -4.7257 3 934.3039639 89502 303A61097 A5 996 a-Alanine, conf. I
505286.9508 1.4069 -5.3092 3 934.3039639 89502 303A61097 A51096 a-Alanine, conf. I
505295.2400 1.2897 -5.2090 3 840.2151555 89502 303922964 912963 a-Alanine, conf. I
505324.2303 1.2861 -5.2090 3 840.2131555 89502 303922864 912863 a-Alanine, conf. I
505333.3290 1.8821 -5.3083 3 943.9361657 89502 303A9 5A4 A8 5A3 a-Alanine, conf. I
505333.3290 1.8821 -4.6974 3 943.9361657 89502 303A9 5A4 A8 6A3 a-Alanine, conf. I
505333.3290 1.8821 -4.6974 3 943.9361657 89502 303A9 6A4 A8 5A3 a-Alanine, conf. I
505333.3290 1.8821 -5.3083 3 943.9361657 89502 303A9 6A4 A8 6A3 a-Alanine, conf. I
505355.4879 1.2826 -4.9660 3 840.2131555 89502 303922964 912863 a-Alanine, conf. I
505376.8124 1.2578 -5.1886 3 828.0159549 89502 303912962 902961 a-Alanine, conf. I
505480.9040 0.2945 -5.1512 3 434.4794363 89502 303603921 593821 a-Alanine, conf. I
505480.9040 0.2945 -4.0832 3 434.4794363 89502 303603921 593822 a-Alanine, conf. I
505480.9040 0.2945 -4.0832 3 434.4794363 89502 303603922 593821 a-Alanine, conf. I
505480.9040 0.2945 -5.1512 3 434.4794363 89502 303603922 593822 a-Alanine, conf. I
505550.4965 1.3067 -5.2994 3 912.6052609 89502 303A11685 A01684 a-Alanine, conf. I
505550.4965 1.3067 -4.7824 3 912.6052609 89502 303A11685 A01784 a-Alanine, conf. I
505550.4965 1.3067 -4.7824 3 912.6052609 89502 303A11785 A01684 a-Alanine, conf. I
505550.4965 1.3067 -5.2994 3 912.6052609 89502 303A11785 A01784 a-Alanine, conf. I
505564.6147 3.6697 -5.2992 3 867.5238549 89502 303913953 903952 a-Alanine, conf. I
505565.4268 3.6709 -5.2992 3 867.5238549 89502 303913952 903951 a-Alanine, conf. I
505572.2576 1.3363 -5.2651 3 879.2391579 89502 303962373 952372 a-Alanine, conf. I
505572.2576 1.3363 -4.8597 3 879.2391579 89502 303962373 952472 a-Alanine, conf. I
505572.2576 1.3363 -4.8597 3 879.2391579 89502 303962473 952372 a-Alanine, conf. I
505572.2576 1.3363 -5.2651 3 879.2391579 89502 303962473 952472 a-Alanine, conf. I
505640.7432 0.2667 -5.0802 3 415.3348321 89502 3035347 6 5246 6 a-Alanine, conf. I
505640.7432 0.2667 -3.9350 3 415.3348321 89502 3035347 6 5246 7 a-Alanine, conf. I
505640.7432 0.2667 -3.9350 3 415.3348321 89502 3035347 7 5246 6 a-Alanine, conf. I
505640.7432 0.2667 -5.0802 3 415.3348321 89502 3035347 7 5246 7 a-Alanine, conf. I
505727.0798 0.4433 -4.4281 3 495.9780417 89502 303693040 682939 a-Alanine, conf. I
505741.4527 0.4450 -5.2732 3 495.9780417 89502 303693039 682939 a-Alanine, conf. I
505780.9637 0.4502 -5.2731 3 495.9762417 89502 303693040 682940 a-Alanine, conf. I
505781.6891 1.3857 -5.0065 3 828.0159549 89502 303913062 902961 a-Alanine, conf. I
505795.3366 0.4527 -4.4280 3 495.9762417 89502 303693039 682940 a-Alanine, conf. I
505881.0960 1.3120 -4.9375 3 852.0076561 89502 303932766 922865 a-Alanine, conf. I
505883.0512 1.3117 -5.2270 3 852.0076561 89502 303932866 922865 a-Alanine, conf. I
505885.0362 1.3114 -5.2270 3 852.0075561 89502 303932766 922765 a-Alanine, conf. I
505886.9914 1.3112 -4.9375 3 852.0075561 89502 303932866 922765 a-Alanine, conf. I
505891.7925 3.0824 -5.3034 3 954.7858681 89502 303B3 0B3 B2 0B2 a-Alanine, conf. I
505891.7925 3.0824 -4.6655 3 954.7858681 89502 303B3 0B3 B2 1B2 a-Alanine, conf. I
505891.7925 3.0824 -4.6655 3 954.7858681 89502 303B3 1B3 B2 0B2 a-Alanine, conf. I
505891.7925 3.0824 -5.3034 3 954.7858681 89502 303B3 1B3 B2 1B2 a-Alanine, conf. I
505895.3758 2.8838 -5.4350 3 920.3433555 89502 303924547 914546 a-Alanine, conf. I
505895.3758 2.8838 -5.4350 3 920.3433555 89502 303924548 914547 a-Alanine, conf. I
505909.7643 1.4534 -5.3318 3 446.6450417 89502 303691653 681553 a-Alanine, conf. I
505909.7651 1.4534 -5.3318 3 446.6450417 89502 303691753 681653 a-Alanine, conf. I
506014.4603 0.3129 -5.1630 3 439.6889369 89502 303613823 603723 a-Alanine, conf. I
506014.4603 0.3129 -4.1093 3 439.6889369 89502 303613823 603724 a-Alanine, conf. I
506014.4603 0.3129 -4.1093 3 439.6889369 89502 303613824 603723 a-Alanine, conf. I
506014.4603 0.3129 -5.1630 3 439.6889369 89502 303613824 603724 a-Alanine, conf. I
506019.3967 2.9888 -5.3173 3 497.9338429 89502 303712249 702149 a-Alanine, conf. I
506127.6053 1.3018 -5.3111 3 928.8081627 89502 303A41292 A31291 a-Alanine, conf. I
506127.6053 1.3018 -4.7524 3 928.8081627 89502 303A41292 A31391 a-Alanine, conf. I
506127.6053 1.3018 -4.7524 3 928.8081627 89502 303A41392 A31291 a-Alanine, conf. I
506127.6053 1.3018 -5.3111 3 928.8081627 89502 303A41392 A31391 a-Alanine, conf. I
506141.6720 1.3371 -5.2913 3 902.1736597 89502 303991980 981979 a-Alanine, conf. I
506141.6720 1.3371 -4.8137 3 902.1736597 89502 303991980 982079 a-Alanine, conf. I
506141.6720 1.3371 -4.8137 3 902.1736597 89502 303992080 981979 a-Alanine, conf. I
506141.6720 1.3371 -5.2913 3 902.1736597 89502 303992080 982079 a-Alanine, conf. I
506158.9954 0.9346 -5.4000 3 409.0544411 89502 303681157 671057 a-Alanine, conf. I
506158.9954 0.9346 -5.4000 3 409.0544411 89502 303681257 671157 a-Alanine, conf. I
506189.8472 2.8917 -5.3170 3 497.9359429 89502 303712349 702249 a-Alanine, conf. I
506210.5283 4.5092 -5.2095 3 831.2531543 89502 303903556 893555 a-Alanine, conf. I
506271.8634 1.1434 -5.1439 3 257.2000321 89502 303531241 521142 a-Alanine, conf. I
506271.8879 1.1434 -5.1439 3 257.2000321 89502 303531341 521042 a-Alanine, conf. I
506341.7623 0.2474 -5.0889 3 417.8497327 89502 3035446 8 5345 8 a-Alanine, conf. I
506341.7623 0.2474 -3.9516 3 417.8497327 89502 3035446 8 5345 9 a-Alanine, conf. I
506341.7623 0.2474 -3.9516 3 417.8497327 89502 3035446 9 5345 8 a-Alanine, conf. I
506341.7623 0.2474 -5.0889 3 417.8497327 89502 3035446 9 5345 9 a-Alanine, conf. I
506374.6818 2.0832 -5.3129 3 949.9500663 89502 303B0 4A6 A9 4A5 a-Alanine, conf. I
506374.6818 2.0832 -4.6960 3 949.9500663 89502 303B0 4A6 A9 5A5 a-Alanine, conf. I
506374.6818 2.0832 -4.6960 3 949.9500663 89502 303B0 5A6 A9 4A5 a-Alanine, conf. I
506374.6818 2.0832 -5.3129 3 949.9500663 89502 303B0 5A6 A9 5A5 a-Alanine, conf. I
506407.2479 6.7735 -4.9210 3 370.3531369 89502 303612140 602041 a-Alanine, conf. I
506432.9756 1.4984 -5.3155 3 941.2666645 89502 303A7 899 A6 898 a-Alanine, conf. I
506432.9756 1.4984 -4.7244 3 941.2666645 89502 303A7 899 A6 998 a-Alanine, conf. I
506432.9756 1.4984 -4.7244 3 941.2666645 89502 303A7 999 A6 898 a-Alanine, conf. I
506432.9756 1.4984 -5.3155 3 941.2666645 89502 303A7 999 A6 998 a-Alanine, conf. I
506494.5220 0.3322 -5.1751 3 445.2780375 89502 303623725 613625 a-Alanine, conf. I
506494.5220 0.3322 -4.1372 3 445.2780375 89502 303623725 613626 a-Alanine, conf. I
506494.5220 0.3322 -4.1372 3 445.2780375 89502 303623726 613625 a-Alanine, conf. I
506494.5220 0.3322 -5.1751 3 445.2780375 89502 303623726 613626 a-Alanine, conf. I
506534.1860 10.3662 -4.8419 3 602.5372465 89502 303772949 762848 a-Alanine, conf. I
506596.1999 3.0092 -5.4142 3 913.8323555 89502 303924448 914447 a-Alanine, conf. I
506596.1999 3.0092 -5.4142 3 913.8323555 89502 303924449 914448 a-Alanine, conf. I
506680.1298 3.3550 -5.3259 3 518.4819435 89502 303722548 712448 a-Alanine, conf. I
506720.7093 1.3292 -4.9166 3 863.4646567 89502 303942668 932767 a-Alanine, conf. I
506720.8114 1.3292 -5.2437 3 863.4646567 89502 303942768 932767 a-Alanine, conf. I
506720.9229 1.3292 -5.2437 3 863.4646567 89502 303942668 932667 a-Alanine, conf. I
506721.0250 1.3292 -4.9166 3 863.4646567 89502 303942768 932667 a-Alanine, conf. I
506762.7022 3.2535 -5.0809 3 832.2891549 89502 303913061 903160 a-Alanine, conf. I
506777.3343 0.4465 -4.3685 3 487.3623411 89502 303683138 673037 a-Alanine, conf. I
506778.0204 0.4467 -5.2573 3 487.3623411 89502 303683137 673037 a-Alanine, conf. I
506780.1900 0.4471 -5.2573 3 487.3622411 89502 303683138 673038 a-Alanine, conf. I
506780.8761 0.4473 -4.3685 3 487.3622411 89502 303683137 673038 a-Alanine, conf. I
506786.6450 1.3488 -5.2782 3 889.5556585 89502 303972275 962274 a-Alanine, conf. I
506786.6450 1.3488 -4.8512 3 889.5556585 89502 303972275 962374 a-Alanine, conf. I
506786.6450 1.3488 -4.8512 3 889.5556585 89502 303972375 962274 a-Alanine, conf. I
506786.6450 1.3488 -5.2782 3 889.5556585 89502 303972375 962374 a-Alanine, conf. I
506821.9306 1.3071 -5.3088 3 921.2109615 89502 303A21587 A11586 a-Alanine, conf. I
506821.9306 1.3071 -4.7799 3 921.2109615 89502 303A21587 A11686 a-Alanine, conf. I
506821.9306 1.3071 -4.7799 3 921.2109615 89502 303A21687 A11586 a-Alanine, conf. I
506821.9306 1.3071 -5.3088 3 921.2109615 89502 303A21687 A11686 a-Alanine, conf. I
506905.6938 0.3524 -5.1877 3 451.2543381 89502 303633627 623527 a-Alanine, conf. I
506905.6938 0.3524 -4.1673 3 451.2543381 89502 303633627 623528 a-Alanine, conf. I
506905.6938 0.3524 -4.1673 3 451.2543381 89502 303633628 623527 a-Alanine, conf. I
506905.6938 0.3524 -5.1877 3 451.2543381 89502 303633628 623528 a-Alanine, conf. I
506927.8055 3.9192 -5.2808 3 862.2742549 89502 303913854 903853 a-Alanine, conf. I
506934.2410 3.9284 -5.2808 3 862.2744549 89502 303913853 903852 a-Alanine, conf. I
507033.1625 0.2390 -5.0981 3 420.7156333 89502 303554510 544410 a-Alanine, conf. I
507033.1625 0.2390 -3.9691 3 420.7156333 89502 303554510 544411 a-Alanine, conf. I
507033.1625 0.2390 -3.9691 3 420.7156333 89502 303554511 544410 a-Alanine, conf. I
507033.1625 0.2390 -5.0981 3 420.7156333 89502 303554511 544411 a-Alanine, conf. I
507033.5784 5.4111 -5.2081 3 831.2865543 89502 303903555 893554 a-Alanine, conf. I
507109.1460 1.8110 -5.0119 3 287.2923333 89502 303551540 541441 a-Alanine, conf. I
507117.3912 1.8085 -5.0119 3 287.2923333 89502 303551640 541341 a-Alanine, conf. I
507126.3645 2.9942 -4.9103 3 345.2048357 89502 303592139 581840 a-Alanine, conf. I
507139.7242 0.8562 -4.5397 3 518.3465429 89502 303712943 702842 a-Alanine, conf. I
507175.4598 0.8446 -5.3204 3 528.3097435 89502 303722845 712745 a-Alanine, conf. I
507199.5776 2.0438 -5.3183 3 472.7478423 89502 303701951 691851 a-Alanine, conf. I
507200.1922 2.0434 -5.3183 3 472.7478423 89502 303702051 691951 a-Alanine, conf. I
507227.0732 0.3734 -5.2006 3 457.6268387 89502 303643529 633429 a-Alanine, conf. I
507227.0732 0.3734 -4.1998 3 457.6268387 89502 303643529 633430 a-Alanine, conf. I
507227.0732 0.3734 -4.1998 3 457.6268387 89502 303643530 633429 a-Alanine, conf. I
507227.0732 0.3734 -5.2006 3 457.6268387 89502 303643530 633430 a-Alanine, conf. I
507288.2815 0.4347 -4.3183 3 479.2522405 89502 303673236 663135 a-Alanine, conf. I
507288.3073 0.4347 -5.2423 3 479.2522405 89502 303673235 663135 a-Alanine, conf. I
507288.3992 0.4347 -5.2423 3 479.2522405 89502 303673236 663136 a-Alanine, conf. I
507288.4250 0.4347 -4.3183 3 479.2522405 89502 303673235 663136 a-Alanine, conf. I
507337.5771 1.3323 -5.3187 3 936.4818633 89502 303A51194 A41193 a-Alanine, conf. I
507337.5771 1.3323 -4.7509 3 936.4818633 89502 303A51194 A41293 a-Alanine, conf. I
507337.5771 1.3323 -4.7509 3 936.4818633 89502 303A51294 A41193 a-Alanine, conf. I
507337.5771 1.3323 -5.3187 3 936.4818633 89502 303A51294 A41293 a-Alanine, conf. I
507369.3980 3.1459 -5.3940 3 907.5198555 89502 303924350 914349 a-Alanine, conf. I
507369.3982 3.1459 -5.3940 3 907.5198555 89502 303924349 914348 a-Alanine, conf. I
507385.2009 2.3127 -5.3172 3 955.7316669 89502 303B1 3A8 B0 3A7 a-Alanine, conf. I
507385.2009 2.3127 -4.6945 3 955.7316669 89502 303B1 3A8 B0 4A7 a-Alanine, conf. I
507385.2009 2.3127 -4.6945 3 955.7316669 89502 303B1 4A8 B0 3A7 a-Alanine, conf. I
507385.2009 2.3127 -5.3172 3 955.7316669 89502 303B1 4A8 B0 4A7 a-Alanine, conf. I
507426.4861 1.3399 -5.3022 3 911.4987603 89502 303A01882 991881 a-Alanine, conf. I
507426.4861 1.3399 -4.8097 3 911.4987603 89502 303A01882 991981 a-Alanine, conf. I
507426.4861 1.3399 -4.8097 3 911.4987603 89502 303A01982 991881 a-Alanine, conf. I
507426.4861 1.3399 -5.3022 3 911.4987603 89502 303A01982 991981 a-Alanine, conf. I
507429.5361 0.3950 -5.2141 3 464.4069393 89502 303653431 643331 a-Alanine, conf. I
507429.5361 0.3950 -4.2353 3 464.4069393 89502 303653432 643331 a-Alanine, conf. I
507429.5362 0.3950 -4.2353 3 464.4069393 89502 303653431 643332 a-Alanine, conf. I
507429.5362 0.3950 -5.2141 3 464.4069393 89502 303653432 643332 a-Alanine, conf. I
507461.8593 0.9237 -5.4243 3 403.4486411 89502 303681058 67 958 a-Alanine, conf. I
507461.8593 0.9237 -5.4243 3 403.4486411 89502 303681158 671058 a-Alanine, conf. I
507471.0927 0.4161 -4.2745 3 471.6091399 89502 303663334 653233 a-Alanine, conf. I
507471.0935 0.4161 -5.2279 3 471.6091399 89502 303663333 653233 a-Alanine, conf. I
507471.0965 0.4161 -5.2279 3 471.6091399 89502 303663334 653234 a-Alanine, conf. I
507471.0973 0.4161 -4.2745 3 471.6091399 89502 303663333 653234 a-Alanine, conf. I
507495.6414 1.8666 -5.1627 3 815.2276543 89502 303903060 893059 a-Alanine, conf. I
507552.5112 1.6172 -5.3214 3 948.0032651 89502 303A8 7A1 A7 7A0 a-Alanine, conf. I
507552.5112 1.6172 -4.7232 3 948.0032651 89502 303A8 7A1 A7 8A0 a-Alanine, conf. I
507552.5112 1.6172 -4.7232 3 948.0032651 89502 303A8 8A1 A7 7A0 a-Alanine, conf. I
507552.5112 1.6172 -5.3214 3 948.0032651 89502 303A8 8A1 A7 8A0 a-Alanine, conf. I
507601.6824 0.6312 -5.3051 3 518.3465429 89502 303712942 702842 a-Alanine, conf. I
507651.5116 16.9111 -5.3176 3 874.6087561 89502 303933261 923360 a-Alanine, conf. I
507711.8951 0.8556 -5.2698 3 240.2646315 89502 303521042 51 943 a-Alanine, conf. I
507711.8953 0.8556 -5.2698 3 240.2646315 89502 303521142 51 843 a-Alanine, conf. I
507712.6737 0.2398 -5.1076 3 423.9348339 89502 303564412 554312 a-Alanine, conf. I
507712.6737 0.2398 -3.9877 3 423.9348339 89502 303564412 554313 a-Alanine, conf. I
507712.6737 0.2398 -3.9877 3 423.9348339 89502 303564413 554312 a-Alanine, conf. I
507712.6737 0.2398 -5.1076 3 423.9348339 89502 303564413 554313 a-Alanine, conf. I
507715.2287 1.3086 -5.3432 3 441.7073417 89502 303691554 681454 a-Alanine, conf. I
507715.2288 1.3086 -5.3432 3 441.7073417 89502 303691654 681554 a-Alanine, conf. I
507719.7690 1.3448 -4.9006 3 874.6190573 89502 303952570 942669 a-Alanine, conf. I
507719.7735 1.3448 -5.2592 3 874.6190573 89502 303952670 942669 a-Alanine, conf. I
507719.7788 1.3448 -5.2592 3 874.6190573 89502 303952570 942569 a-Alanine, conf. I
507719.7833 1.3448 -4.9006 3 874.6190573 89502 303952670 942569 a-Alanine, conf. I
507849.7112 2.1419 -5.1718 3 819.3343543 89502 303903259 893258 a-Alanine, conf. I
508034.7931 1.3592 -5.2908 3 899.6265591 89502 303982177 972176 a-Alanine, conf. I
508034.7931 1.3592 -4.8443 3 899.6265591 89502 303982177 972276 a-Alanine, conf. I
508034.7931 1.3592 -4.8443 3 899.6265591 89502 303982277 972176 a-Alanine, conf. I
508034.7931 1.3592 -5.2908 3 899.6265591 89502 303982277 972276 a-Alanine, conf. I
508080.4991 1.3103 -5.3177 3 929.5935621 89502 303A31489 A21488 a-Alanine, conf. I
508080.4991 1.3103 -4.7778 3 929.5935621 89502 303A31489 A21588 a-Alanine, conf. I
508080.4991 1.3103 -4.7778 3 929.5935621 89502 303A31589 A21488 a-Alanine, conf. I
508080.4991 1.3103 -5.3177 3 929.5935621 89502 303A31589 A21588 a-Alanine, conf. I
508115.9883 4.3343 -5.1930 3 827.0658543 89502 303903457 893456 a-Alanine, conf. I
508223.4969 0.7296 -5.4366 3 223.3121309 89502 30351 843 50 744 a-Alanine, conf. I
508223.4969 0.7296 -5.4366 3 223.3121309 89502 30351 943 50 644 a-Alanine, conf. I
508228.0553 3.2969 -5.3742 3 901.4114555 89502 303924251 914250 a-Alanine, conf. I
508228.0574 3.2969 -5.3742 3 901.4114555 89502 303924250 914249 a-Alanine, conf. I
508363.9175 2.5702 -5.3210 3 961.2788675 89502 303B2 2B0 B1 2A9 a-Alanine, conf. I
508363.9175 2.5702 -4.6929 3 961.2788675 89502 303B2 2B0 B1 3A9 a-Alanine, conf. I
508363.9175 2.5702 -4.6929 3 961.2788675 89502 303B2 3B0 B1 2A9 a-Alanine, conf. I
508363.9175 2.5702 -5.3210 3 961.2788675 89502 303B2 3B0 B1 3A9 a-Alanine, conf. I
508377.4468 0.2476 -5.1176 3 427.5096345 89502 303574314 564214 a-Alanine, conf. I
508377.4468 0.2476 -4.0074 3 427.5096345 89502 303574314 564215 a-Alanine, conf. I
508377.4468 0.2476 -4.0074 3 427.5096345 89502 303574315 564214 a-Alanine, conf. I
508377.4468 0.2476 -5.1176 3 427.5096345 89502 303574315 564215 a-Alanine, conf. I
508501.9142 0.4284 -5.5087 3 251.8996303 89502 303502129 491832 a-Alanine, conf. I
508525.4456 1.3806 -5.3259 3 943.9322639 89502 303A61096 A51095 a-Alanine, conf. I
508525.4456 1.3806 -4.7496 3 943.9322639 89502 303A61096 A51195 a-Alanine, conf. I
508525.4456 1.3806 -4.7496 3 943.9322639 89502 303A61196 A51095 a-Alanine, conf. I
508525.4456 1.3806 -5.3259 3 943.9322639 89502 303A61196 A51195 a-Alanine, conf. I
508530.4221 4.2184 -5.2628 3 857.2791549 89502 303913755 903754 a-Alanine, conf. I
508575.7000 4.2788 -5.2627 3 857.2806549 89502 303913754 903753 a-Alanine, conf. I
508600.9929 0.4767 -5.3035 3 518.2978429 89502 303712943 702843 a-Alanine, conf. I
508644.2447 1.7647 -5.3269 3 954.5124657 89502 303A9 6A3 A8 6A2 a-Alanine, conf. I
508644.2447 1.7647 -4.7220 3 954.5124657 89502 303A9 6A3 A8 7A2 a-Alanine, conf. I
508644.2447 1.7647 -4.7220 3 954.5124657 89502 303A9 7A3 A8 6A2 a-Alanine, conf. I
508644.2447 1.7647 -5.3269 3 954.5124657 89502 303A9 7A3 A8 7A2 a-Alanine, conf. I
508696.0000 0.9460 -5.4528 3 397.6971411 89502 30368 959 67 859 a-Alanine, conf. I
508696.0000 0.9460 -5.4528 3 397.6971411 89502 303681059 67 959 a-Alanine, conf. I
508710.2141 1.3407 -5.3126 3 920.5964609 89502 303A11784 A01783 a-Alanine, conf. I
508710.2141 1.3407 -4.8064 3 920.5964609 89502 303A11784 A01883 a-Alanine, conf. I
508710.2141 1.3407 -4.8064 3 920.5964609 89502 303A11884 A01783 a-Alanine, conf. I
508710.2141 1.3407 -5.3126 3 920.5964609 89502 303A11884 A01883 a-Alanine, conf. I
508754.1305 1.3267 -5.3862 3 585.5670459 89502 303762848 752748 a-Alanine, conf. I
508824.3109 1.3595 -4.8881 3 885.4933579 89502 303962472 952571 a-Alanine, conf. I
508824.3110 1.3595 -5.2739 3 885.4933579 89502 303962572 952571 a-Alanine, conf. I
508824.3113 1.3595 -5.2739 3 885.4933579 89502 303962472 952471 a-Alanine, conf. I
508824.3114 1.3595 -4.8881 3 885.4933579 89502 303962572 952471 a-Alanine, conf. I
508899.5936 0.3759 -5.0646 3 418.9330309 89502 3035150 1 5049 1 a-Alanine, conf. I
508899.5936 0.3759 -3.9019 3 418.9330309 89502 3035150 1 5049 2 a-Alanine, conf. I
508899.5936 0.3759 -3.9019 3 418.9330309 89502 3035150 2 5049 1 a-Alanine, conf. I
508899.5936 0.3759 -5.0646 3 418.9330309 89502 3035150 2 5049 2 a-Alanine, conf. I
508980.8174 3.4161 -5.1798 3 823.1391543 89502 303903358 893357 a-Alanine, conf. I
509010.2971 1.3712 -5.0153 3 844.8869555 89502 303922963 913062 a-Alanine, conf. I
509023.8959 0.2601 -5.1280 3 431.4429351 89502 303584216 574116 a-Alanine, conf. I
509023.8959 0.2601 -4.0282 3 431.4429351 89502 303584216 574117 a-Alanine, conf. I
509023.8959 0.2601 -4.0282 3 431.4429351 89502 303584217 574116 a-Alanine, conf. I
509023.8959 0.2601 -5.1280 3 431.4429351 89502 303584217 574117 a-Alanine, conf. I
509062.9511 0.6107 -4.5369 3 518.2978429 89502 303712942 702843 a-Alanine, conf. I
509092.2134 1.3533 -5.1914 3 832.2891549 89502 303913161 903160 a-Alanine, conf. I
509189.3477 3.4663 -5.3549 3 895.5139555 89502 303924152 914151 a-Alanine, conf. I
509189.3691 3.4663 -5.3549 3 895.5139555 89502 303924151 914150 a-Alanine, conf. I
509229.3701 1.3045 -5.2125 3 844.8869555 89502 303923063 913062 a-Alanine, conf. I
509303.7593 1.3671 -5.3028 3 909.4585597 89502 303992079 982078 a-Alanine, conf. I
509303.7593 1.3671 -4.8388 3 909.4585597 89502 303992079 982178 a-Alanine, conf. I
509303.7593 1.3671 -4.8388 3 909.4585597 89502 303992179 982078 a-Alanine, conf. I
509303.7593 1.3671 -5.3028 3 909.4585597 89502 303992179 982178 a-Alanine, conf. I
509309.9243 2.8548 -5.3244 3 966.5892681 89502 303B3 1B2 B2 1B1 a-Alanine, conf. I
509309.9243 2.8548 -4.6913 3 966.5892681 89502 303B3 1B2 B2 2B1 a-Alanine, conf. I
509309.9243 2.8548 -4.6913 3 966.5892681 89502 303B3 2B2 B2 1B1 a-Alanine, conf. I
509309.9243 2.8548 -5.3244 3 966.5892681 89502 303B3 2B2 B2 2B1 a-Alanine, conf. I
509323.2155 1.3195 -5.3263 3 937.7535627 89502 303A41391 A31390 a-Alanine, conf. I
509323.2155 1.3195 -4.7761 3 937.7535627 89502 303A41391 A31490 a-Alanine, conf. I
509323.2155 1.3195 -4.7761 3 937.7535627 89502 303A41491 A31390 a-Alanine, conf. I
509323.2155 1.3195 -5.3263 3 937.7535627 89502 303A41491 A31490 a-Alanine, conf. I
509325.8785 6.7932 -5.1056 3 786.9179531 89502 303883256 873255 a-Alanine, conf. I
509358.7066 2.9225 -5.5222 3 264.2784309 89502 303512230 501931 a-Alanine, conf. I
509386.9189 1.1848 -5.3565 3 436.6073417 89502 303691455 681355 a-Alanine, conf. I
509386.9189 1.1848 -5.3565 3 436.6073417 89502 303691555 681455 a-Alanine, conf. I
509415.1737 1.2910 -5.2121 3 844.8734555 89502 303922963 912962 a-Alanine, conf. I
509514.8130 2.5989 -5.3203 3 493.9097429 89502 303712150 702050 a-Alanine, conf. I
509538.2243 2.5848 -5.3203 3 493.9099429 89502 303712250 702150 a-Alanine, conf. I
509541.9997 1.3314 -4.9777 3 857.0699561 89502 303932865 922964 a-Alanine, conf. I
509544.8121 1.8341 -5.3252 3 468.2247423 89502 303701852 691752 a-Alanine, conf. I
509544.8697 1.8340 -5.3252 3 468.2247423 89502 303701952 691852 a-Alanine, conf. I
509558.0498 1.3286 -5.2321 3 857.0699561 89502 303932965 922964 a-Alanine, conf. I
509573.2573 1.3265 -5.2320 3 857.0689561 89502 303932865 922864 a-Alanine, conf. I
509580.8049 1.5151 -5.0972 3 784.3854531 89502 303883157 873156 a-Alanine, conf. I
509589.3074 1.3243 -4.9776 3 857.0689561 89502 303932965 922864 a-Alanine, conf. I
509617.0306 0.3277 -5.0723 3 420.5899315 89502 3035249 3 5148 3 a-Alanine, conf. I
509617.0306 0.3277 -3.9162 3 420.5899315 89502 3035249 3 5148 4 a-Alanine, conf. I
509617.0306 0.3277 -3.9162 3 420.5899315 89502 3035249 4 5148 3 a-Alanine, conf. I
509617.0306 0.3277 -5.0723 3 420.5899315 89502 3035249 4 5148 4 a-Alanine, conf. I
509634.2468 1.3205 -5.0141 3 844.8734555 89502 303923063 912962 a-Alanine, conf. I
509647.4864 0.2755 -5.1387 3 435.7380357 89502 303594118 584018 a-Alanine, conf. I
509647.4864 0.2755 -4.0503 3 435.7380357 89502 303594118 584019 a-Alanine, conf. I
509647.4864 0.2755 -4.0503 3 435.7380357 89502 303594119 584018 a-Alanine, conf. I
509647.4864 0.2755 -5.1387 3 435.7380357 89502 303594119 584019 a-Alanine, conf. I
509689.4492 1.4506 -5.3327 3 951.1585645 89502 303A7 998 A6 997 a-Alanine, conf. I
509689.4492 1.4506 -4.7485 3 951.1585645 89502 303A7 998 A61097 a-Alanine, conf. I
509689.4492 1.4506 -4.7485 3 951.1585645 89502 303A71098 A6 997 a-Alanine, conf. I
509689.4492 1.4506 -5.3327 3 951.1585645 89502 303A71098 A61097 a-Alanine, conf. I
509706.9746 1.9414 -5.3320 3 960.7922663 89502 303B0 5A5 A9 5A4 a-Alanine, conf. I
509706.9746 1.9414 -4.7208 3 960.7922663 89502 303B0 5A5 A9 6A4 a-Alanine, conf. I
509706.9746 1.9414 -4.7208 3 960.7922663 89502 303B0 6A5 A9 5A4 a-Alanine, conf. I
509706.9746 1.9414 -5.3320 3 960.7922663 89502 303B0 6A5 A9 6A4 a-Alanine, conf. I
509759.1723 2.6926 -5.5178 3 957.8398561 89502 303934845 924844 a-Alanine, conf. I
509759.1723 2.6926 -5.5178 3 957.8398561 89502 303934846 924845 a-Alanine, conf. I
509868.9350 0.9985 -5.4865 3 391.8020411 89502 30368 860 67 760 a-Alanine, conf. I
509868.9350 0.9985 -5.4865 3 391.8020411 89502 30368 960 67 860 a-Alanine, conf. I
509968.1557 2.3588 -5.3363 3 538.6930441 89502 303732747 722647 a-Alanine, conf. I
509987.8552 1.3405 -5.3225 3 929.4686615 89502 303A21686 A11685 a-Alanine, conf. I
509987.8552 1.3405 -4.8038 3 929.4686615 89502 303A21686 A11785 a-Alanine, conf. I
509987.8552 1.3405 -4.8038 3 929.4686615 89502 303A21786 A11685 a-Alanine, conf. I
509987.8552 1.3405 -5.3225 3 929.4686615 89502 303A21786 A11785 a-Alanine, conf. I
509999.3066 1.3733 -5.2879 3 896.1032585 89502 303972374 962373 a-Alanine, conf. I
509999.3066 1.3733 -4.8783 3 896.1032585 89502 303972374 962473 a-Alanine, conf. I
509999.3066 1.3733 -4.8783 3 896.1032585 89502 303972474 962373 a-Alanine, conf. I
509999.3066 1.3733 -5.2879 3 896.1032585 89502 303972474 962473 a-Alanine, conf. I
510000.5507 3.5580 -5.3283 3 514.8128435 89502 303722349 712249 a-Alanine, conf. I
510078.0949 6.7251 -4.7281 3 511.7056429 89502 303712744 702645 a-Alanine, conf. I
510212.1119 1.3499 -4.9517 3 868.8821567 89502 303942767 932866 a-Alanine, conf. I
510213.0742 1.3497 -5.2500 3 868.8821567 89502 303942867 932866 a-Alanine, conf. I
510214.0671 1.3496 -5.2500 3 868.8820567 89502 303942767 932766 a-Alanine, conf. I
510215.0294 1.3495 -4.9517 3 868.8820567 89502 303942867 932766 a-Alanine, conf. I
510222.3678 3.1662 -5.3275 3 971.6606687 89502 303B4 0B4 B3 0B3 a-Alanine, conf. I
510222.3678 3.1662 -4.6895 3 971.6606687 89502 303B4 0B4 B3 1B3 a-Alanine, conf. I
510222.3678 3.1662 -4.6895 3 971.6606687 89502 303B4 1B4 B3 0B3 a-Alanine, conf. I
510222.3678 3.1662 -5.3275 3 971.6606687 89502 303B4 1B4 B3 1B3 a-Alanine, conf. I
510232.6563 2.1168 -4.9823 3 300.6902339 89502 303561640 551541 a-Alanine, conf. I
510242.4483 0.2927 -5.1499 3 440.3989363 89502 303604020 593920 a-Alanine, conf. I
510242.4483 0.2927 -4.0738 3 440.3989363 89502 303604020 593921 a-Alanine, conf. I
510242.4483 0.2927 -4.0738 3 440.3989363 89502 303604021 593920 a-Alanine, conf. I
510242.4483 0.2927 -5.1499 3 440.3989363 89502 303604021 593921 a-Alanine, conf. I
510269.0004 2.1059 -4.9822 3 300.6901339 89502 303561740 551441 a-Alanine, conf. I
510276.5337 3.6606 -5.3359 3 889.8357555 89502 303924053 914052 a-Alanine, conf. I
510276.7347 3.6610 -5.3359 3 889.8357555 89502 303924052 914051 a-Alanine, conf. I
510277.7477 10.7838 -4.8547 3 466.4611411 89502 303682543 672444 a-Alanine, conf. I
510317.8405 2.8000 -5.4957 3 950.7767561 89502 303934746 924745 a-Alanine, conf. I
510317.8405 2.8000 -5.4957 3 950.7767561 89502 303934747 924746 a-Alanine, conf. I
510328.7135 0.2903 -5.0805 3 422.5936321 89502 3035348 5 5247 5 a-Alanine, conf. I
510328.7135 0.2903 -3.9313 3 422.5936321 89502 3035348 5 5247 6 a-Alanine, conf. I
510328.7135 0.2903 -3.9313 3 422.5936321 89502 3035348 6 5247 5 a-Alanine, conf. I
510328.7135 0.2903 -5.0805 3 422.5936321 89502 3035348 6 5247 6 a-Alanine, conf. I
510340.3296 0.4547 -4.4566 3 508.8693423 89502 303703041 692940 a-Alanine, conf. I
510366.9370 1.4214 -4.5788 3 531.7492435 89502 303722944 712843 a-Alanine, conf. I
510371.4802 0.4564 -5.2865 3 508.8693423 89502 303703040 692940 a-Alanine, conf. I
510400.3479 7.8722 -5.1796 3 853.3719555 89502 303923161 913260 a-Alanine, conf. I
510413.6999 4.5359 -5.2449 3 852.5599549 89502 303913656 903655 a-Alanine, conf. I
510453.3927 0.4640 -5.2864 3 508.8655423 89502 303703041 692941 a-Alanine, conf. I
510484.5433 0.4689 -4.4563 3 508.8655423 89502 303703040 692941 a-Alanine, conf. I
510547.5250 1.3383 -5.3344 3 945.6907633 89502 303A51293 A41292 a-Alanine, conf. I
510547.5250 1.3383 -4.7747 3 945.6907633 89502 303A51293 A41392 a-Alanine, conf. I
510547.5250 1.3383 -4.7747 3 945.6907633 89502 303A51393 A41292 a-Alanine, conf. I
510547.5250 1.3383 -5.3344 3 945.6907633 89502 303A51393 A41392 a-Alanine, conf. I
510574.2641 3.2352 -5.3274 3 514.8206435 89502 303722449 712349 a-Alanine, conf. I
510577.6519 1.3480 -5.0971 3 270.2613327 89502 303541341 531242 a-Alanine, conf. I
510577.7947 1.3480 -5.0971 3 270.2613327 89502 303541441 531142 a-Alanine, conf. I
510583.8378 1.3722 -5.3143 3 919.0566603 89502 303A01981 991980 a-Alanine, conf. I
510583.8378 1.3722 -4.8343 3 919.0566603 89502 303A01981 992080 a-Alanine, conf. I
510583.8378 1.3722 -4.8343 3 919.0566603 89502 303A02081 991980 a-Alanine, conf. I
510583.8378 1.3722 -5.3143 3 919.0566603 89502 303A02081 992080 a-Alanine, conf. I
510650.1670 8.3456 -5.1460 3 806.7938537 89502 303893356 883355 a-Alanine, conf. I
510690.8060 4.8744 -5.2445 3 852.5702549 89502 303913655 903654 a-Alanine, conf. I
510739.5938 2.1473 -5.3368 3 966.8408669 89502 303B1 4A7 B0 4A6 a-Alanine, conf. I
510739.5938 2.1473 -4.7196 3 966.8408669 89502 303B1 4A7 B0 5A6 a-Alanine, conf. I
510739.5938 2.1473 -4.7196 3 966.8408669 89502 303B1 5A7 B0 4A6 a-Alanine, conf. I
510739.5938 2.1473 -5.3368 3 966.8408669 89502 303B1 5A7 B0 5A6 a-Alanine, conf. I
510758.6397 1.5908 -5.1880 3 832.1558549 89502 303913061 903060 a-Alanine, conf. I
510801.3801 0.3109 -5.1615 3 445.4301369 89502 303613922 603822 a-Alanine, conf. I
510801.3801 0.3109 -4.0988 3 445.4301369 89502 303613922 603823 a-Alanine, conf. I
510801.3801 0.3109 -4.0988 3 445.4301369 89502 303613923 603822 a-Alanine, conf. I
510801.3801 0.3109 -5.1615 3 445.4301369 89502 303613923 603823 a-Alanine, conf. I
510828.0138 1.5459 -5.3391 3 958.1593651 89502 303A8 8A0 A7 899 a-Alanine, conf. I
510828.0138 1.5459 -4.7475 3 958.1593651 89502 303A8 8A0 A7 999 a-Alanine, conf. I
510828.0138 1.5459 -4.7475 3 958.1593651 89502 303A8 9A0 A7 899 a-Alanine, conf. I
510828.0138 1.5459 -5.3391 3 958.1593651 89502 303A8 9A0 A7 999 a-Alanine, conf. I
510880.5943 8.1630 -4.7854 3 587.8531459 89502 303762948 752847 a-Alanine, conf. I
510926.2806 2.9144 -5.4741 3 943.9016561 89502 303934647 924646 a-Alanine, conf. I
510926.2806 2.9144 -5.4741 3 943.9016561 89502 303934648 924647 a-Alanine, conf. I
510944.8935 1.0850 -5.3718 3 431.3497417 89502 303691356 681256 a-Alanine, conf. I
510944.8935 1.0850 -5.3718 3 431.3497417 89502 303691456 681356 a-Alanine, conf. I
510987.0183 1.0763 -5.5268 3 385.7650411 89502 30368 761 67 661 a-Alanine, conf. I
510987.0183 1.0763 -5.5268 3 385.7650411 89502 30368 861 67 761 a-Alanine, conf. I
510990.8491 23.8670 -5.4429 3 913.7650573 89502 303953362 943461 a-Alanine, conf. I
511033.3812 0.2643 -5.0890 3 424.9455327 89502 3035447 7 5346 7 a-Alanine, conf. I
511033.3812 0.2643 -3.9474 3 424.9455327 89502 3035447 7 5346 8 a-Alanine, conf. I
511033.3812 0.2643 -3.9474 3 424.9455327 89502 3035447 8 5346 7 a-Alanine, conf. I
511033.3812 0.2643 -5.0890 3 424.9455327 89502 3035447 8 5346 8 a-Alanine, conf. I
511043.3392 2.4173 -4.9220 3 359.1580363 89502 303602239 591940 a-Alanine, conf. I
511087.7832 14.5715 -4.9831 3 681.4113495 89502 303823053 812952 a-Alanine, conf. I
511093.4334 1.3669 -4.9325 3 880.3670573 89502 303952669 942768 a-Alanine, conf. I
511093.4818 1.3669 -5.2666 3 880.3670573 89502 303952769 942768 a-Alanine, conf. I
511093.5355 1.3669 -5.2666 3 880.3670573 89502 303952669 942668 a-Alanine, conf. I
511093.5839 1.3669 -4.9325 3 880.3670573 89502 303952769 942668 a-Alanine, conf. I
511221.2825 1.3856 -5.3012 3 906.4602591 89502 303982276 972275 a-Alanine, conf. I
511221.2825 1.3856 -4.8705 3 906.4602591 89502 303982276 972375 a-Alanine, conf. I
511221.2825 1.3856 -4.8705 3 906.4602591 89502 303982376 972275 a-Alanine, conf. I
511221.2825 1.3856 -5.3012 3 906.4602591 89502 303982376 972375 a-Alanine, conf. I
511240.6882 7.9848 -5.0684 3 798.3973537 89502 303893159 883058 a-Alanine, conf. I
511255.3134 1.3411 -5.3321 3 938.1166621 89502 303A31588 A21587 a-Alanine, conf. I
511255.3134 1.3411 -4.8017 3 938.1166621 89502 303A31588 A21687 a-Alanine, conf. I
511255.3134 1.3411 -4.8017 3 938.1166621 89502 303A31688 A21587 a-Alanine, conf. I
511255.3134 1.3411 -5.3321 3 938.1166621 89502 303A31688 A21687 a-Alanine, conf. I
511264.8385 0.9088 -5.3206 3 531.7492435 89502 303722943 712843 a-Alanine, conf. I
511279.7921 3.2967 -5.3379 3 535.3829441 89502 303732648 722548 a-Alanine, conf. I
511314.6874 0.3301 -5.1735 3 450.8369375 89502 303623824 613724 a-Alanine, conf. I
511314.6874 0.3301 -4.1255 3 450.8369375 89502 303623824 613725 a-Alanine, conf. I
511314.6874 0.3301 -4.1255 3 450.8369375 89502 303623825 613724 a-Alanine, conf. I
511314.6874 0.3301 -5.1735 3 450.8369375 89502 303623825 613725 a-Alanine, conf. I
511491.5790 5.5164 -5.0673 3 815.2276543 89502 303903160 893059 a-Alanine, conf. I
511522.1109 3.8893 -5.3174 3 884.3876555 89502 303923954 913953 a-Alanine, conf. I
511523.8135 3.8919 -5.3174 3 884.3876555 89502 303923953 913952 a-Alanine, conf. I
511591.6496 3.0373 -5.4530 3 937.2181561 89502 303934548 924547 a-Alanine, conf. I
511591.6496 3.0373 -5.4530 3 937.2181561 89502 303934549 924548 a-Alanine, conf. I
511636.9247 0.4616 -4.3934 3 500.0044417 89502 303693139 683038 a-Alanine, conf. I
511638.5262 0.4620 -5.2701 3 500.0044417 89502 303693138 683038 a-Alanine, conf. I
511643.4055 0.4629 -5.2701 3 500.0042417 89502 303693139 683039 a-Alanine, conf. I
511645.0070 0.4633 -4.3934 3 500.0042417 89502 303693138 683039 a-Alanine, conf. I
511661.6916 1.6482 -5.3335 3 463.5204423 89502 303701753 691653 a-Alanine, conf. I
511661.6963 1.6482 -5.3335 3 463.5204423 89502 303701853 691753 a-Alanine, conf. I
511665.9512 7.4872 -5.1866 3 827.2395543 89502 303903456 893455 a-Alanine, conf. I
511729.4573 0.2499 -5.0980 3 427.6473333 89502 3035546 9 5445 9 a-Alanine, conf. I
511729.4573 0.2499 -3.9644 3 427.6473333 89502 3035546 9 544510 a-Alanine, conf. I
511729.4573 0.2499 -3.9644 3 427.6473333 89502 303554610 5445 9 a-Alanine, conf. I
511729.4573 0.2499 -5.0980 3 427.6473333 89502 303554610 544510 a-Alanine, conf. I
511741.0757 2.3819 -5.3412 3 972.6561675 89502 303B2 3A9 B1 3A8 a-Alanine, conf. I
511741.0757 2.3819 -4.7183 3 972.6561675 89502 303B2 3A9 B1 4A8 a-Alanine, conf. I
511741.0757 2.3819 -4.7183 3 972.6561675 89502 303B2 4A9 B1 3A8 a-Alanine, conf. I
511741.0757 2.3819 -5.3412 3 972.6561675 89502 303B2 4A9 B1 4A8 a-Alanine, conf. I
511751.2128 1.3711 -5.3422 3 953.4047639 89502 303A61195 A51194 a-Alanine, conf. I
511751.2128 1.3711 -4.7736 3 953.4047639 89502 303A61195 A51294 a-Alanine, conf. I
511751.2128 1.3711 -4.7736 3 953.4047639 89502 303A61295 A51194 a-Alanine, conf. I
511751.2128 1.3711 -5.3422 3 953.4047639 89502 303A61295 A51294 a-Alanine, conf. I
511769.7675 0.3501 -5.1859 3 456.6260381 89502 303633726 623626 a-Alanine, conf. I
511769.7675 0.3501 -4.1542 3 456.6260381 89502 303633726 623627 a-Alanine, conf. I
511769.7675 0.3501 -4.1542 3 456.6260381 89502 303633727 623626 a-Alanine, conf. I
511769.7675 0.3501 -5.1859 3 456.6260381 89502 303633727 623627 a-Alanine, conf. I
511867.5401 1.3747 -5.3253 3 928.4246609 89502 303A11883 A01882 a-Alanine, conf. I
511867.5401 1.3747 -4.8308 3 928.4246609 89502 303A11883 A01982 a-Alanine, conf. I
511867.5401 1.3747 -4.8308 3 928.4246609 89502 303A11983 A01882 a-Alanine, conf. I
511867.5401 1.3747 -5.3253 3 928.4246609 89502 303A11983 A01982 a-Alanine, conf. I
511939.7195 1.6688 -5.3452 3 964.9334657 89502 303A9 7A2 A8 7A1 a-Alanine, conf. I
511939.7195 1.6688 -4.7465 3 964.9334657 89502 303A9 7A2 A8 8A1 a-Alanine, conf. I
511939.7195 1.6688 -4.7465 3 964.9334657 89502 303A9 8A2 A8 7A1 a-Alanine, conf. I
511939.7195 1.6688 -5.3452 3 964.9334657 89502 303A9 8A2 A8 8A1 a-Alanine, conf. I
511976.7412 2.2957 -5.0788 3 849.2706555 89502 303923062 913161 a-Alanine, conf. I
511983.9236 7.0809 -5.3903 3 583.2234459 89502 303762749 752649 a-Alanine, conf. I
512033.4200 3.3585 -4.6575 3 528.3097435 89502 303722844 712745 a-Alanine, conf. I
512119.3438 1.3824 -4.9178 3 891.5547579 89502 303962571 952670 a-Alanine, conf. I
512119.3459 1.3824 -5.2823 3 891.5547579 89502 303962671 952670 a-Alanine, conf. I
512119.3484 1.3824 -5.2823 3 891.5547579 89502 303962571 952570 a-Alanine, conf. I
512119.3504 1.3824 -4.9178 3 891.5547579 89502 303962671 952570 a-Alanine, conf. I
512149.7861 0.3710 -5.1988 3 462.8053387 89502 303643628 633528 a-Alanine, conf. I
512149.7861 0.3710 -4.1850 3 462.8053387 89502 303643628 633529 a-Alanine, conf. I
512149.7861 0.3710 -4.1850 3 462.8053387 89502 303643629 633528 a-Alanine, conf. I
512149.7861 0.3710 -5.1988 3 462.8053387 89502 303643629 633529 a-Alanine, conf. I
512281.6346 1.1804 -5.3346 3 541.9126441 89502 303732846 722746 a-Alanine, conf. I
512283.0607 0.4531 -4.3410 3 491.6607411 89502 303683237 673136 a-Alanine, conf. I
512283.1253 0.4531 -5.2547 3 491.6607411 89502 303683236 673136 a-Alanine, conf. I
512283.3481 0.4531 -5.2547 3 491.6607411 89502 303683237 673137 a-Alanine, conf. I
512283.4128 0.4531 -4.3410 3 491.6607411 89502 303683236 673137 a-Alanine, conf. I
512322.7971 3.1703 -5.4324 3 930.7305561 89502 303934450 924449 a-Alanine, conf. I
512322.7972 3.1703 -5.4324 3 930.7305561 89502 303934449 924448 a-Alanine, conf. I
512404.8796 1.0131 -5.3897 3 425.9381417 89502 303691257 681157 a-Alanine, conf. I
512404.8796 1.0131 -5.3897 3 425.9381417 89502 303691357 681257 a-Alanine, conf. I
512414.9727 0.2458 -5.1073 3 430.7010339 89502 303564511 554411 a-Alanine, conf. I
512414.9727 0.2458 -3.9823 3 430.7010339 89502 303564511 554412 a-Alanine, conf. I
512414.9727 0.2458 -3.9823 3 430.7010339 89502 303564512 554411 a-Alanine, conf. I
512414.9727 0.2458 -5.1073 3 430.7010339 89502 303564512 554412 a-Alanine, conf. I
512431.7667 0.3926 -5.2120 3 469.3843393 89502 303653530 643430 a-Alanine, conf. I
512431.7667 0.3926 -4.2185 3 469.3843393 89502 303653530 643431 a-Alanine, conf. I
512431.7667 0.3926 -4.2185 3 469.3843393 89502 303653531 643430 a-Alanine, conf. I
512431.7667 0.3926 -5.2120 3 469.3843393 89502 303653531 643431 a-Alanine, conf. I
512441.8391 2.3134 -5.3247 3 489.6662429 89502 303712051 701951 a-Alanine, conf. I
512444.6016 2.3117 -5.3247 3 489.6662429 89502 303712151 702051 a-Alanine, conf. I
512473.7350 1.3957 -5.3139 3 916.5727597 89502 303992178 982177 a-Alanine, conf. I
512473.7350 1.3957 -4.8643 3 916.5727597 89502 303992178 982277 a-Alanine, conf. I
512473.7350 1.3957 -4.8643 3 916.5727597 89502 303992278 982177 a-Alanine, conf. I
512473.7350 1.3957 -5.3139 3 916.5727597 89502 303992278 982277 a-Alanine, conf. I
512474.7322 4.6850 -5.2276 3 848.1385549 89502 303913557 903556 a-Alanine, conf. I
512509.1752 1.3449 -5.3412 3 946.5412627 89502 303A41490 A31489 a-Alanine, conf. I
512509.1752 1.3449 -4.8000 3 946.5412627 89502 303A41490 A31589 a-Alanine, conf. I
512509.1752 1.3449 -4.8000 3 946.5412627 89502 303A41590 A31489 a-Alanine, conf. I
512509.1752 1.3449 -5.3412 3 946.5412627 89502 303A41590 A31589 a-Alanine, conf. I
512540.2389 0.9991 -5.2073 3 253.1648321 89502 303531142 521043 a-Alanine, conf. I
512540.2404 0.9991 -5.2073 3 253.1648321 89502 303531242 52 943 a-Alanine, conf. I
512557.9189 0.4356 -4.2955 3 483.7939405 89502 303673335 663234 a-Alanine, conf. I
512557.9210 0.4356 -5.2400 3 483.7939405 89502 303673334 663234 a-Alanine, conf. I
512557.9290 0.4356 -5.2400 3 483.7939405 89502 303673335 663235 a-Alanine, conf. I
512557.9310 0.4356 -4.2955 3 483.7939405 89502 303673334 663235 a-Alanine, conf. I
512569.4928 1.8619 -5.1941 3 836.2744549 89502 303913260 903259 a-Alanine, conf. I
512583.4642 0.4146 -5.2258 3 476.3753399 89502 303663432 653332 a-Alanine, conf. I
512583.4642 0.4146 -4.2550 3 476.3753399 89502 303663433 653332 a-Alanine, conf. I
512583.4644 0.4146 -5.2258 3 476.3753399 89502 303663433 653333 a-Alanine, conf. I
512583.4645 0.4146 -4.2550 3 476.3753399 89502 303663432 653333 a-Alanine, conf. I
512710.4630 2.6445 -5.3452 3 978.2360681 89502 303B3 2B1 B2 2B0 a-Alanine, conf. I
512710.4630 2.6445 -4.7170 3 978.2360681 89502 303B3 2B1 B2 3B0 a-Alanine, conf. I
512710.4630 2.6445 -4.7170 3 978.2360681 89502 303B3 3B1 B2 2B0 a-Alanine, conf. I
512710.4630 2.6445 -5.3452 3 978.2360681 89502 303B3 3B1 B2 3B0 a-Alanine, conf. I
512722.1416 10.8752 -5.0707 3 781.6556531 89502 303883158 873057 a-Alanine, conf. I
512738.4759 2.3871 -4.6225 3 545.3893441 89502 303732945 722844 a-Alanine, conf. I
512788.8157 2.4853 -4.9579 3 314.2755345 89502 303571740 561641 a-Alanine, conf. I
512798.7985 4.9256 -4.9205 3 356.0886363 89502 303602040 591941 a-Alanine, conf. I
512878.7394 2.0207 -5.0808 3 350.5569357 89502 303592337 582038 a-Alanine, conf. I
512932.3361 1.4221 -5.3496 3 960.8948645 89502 303A71097 A61096 a-Alanine, conf. I
512932.3361 1.4221 -4.7726 3 960.8948645 89502 303A71097 A61196 a-Alanine, conf. I
512932.3361 1.4221 -4.7726 3 960.8948645 89502 303A71197 A61096 a-Alanine, conf. I
512932.3361 1.4221 -5.3496 3 960.8948645 89502 303A71197 A61196 a-Alanine, conf. I
512936.1771 2.4402 -4.9576 3 314.2753345 89502 303571840 561541 a-Alanine, conf. I
512971.6483 4.1646 -5.2992 3 879.1835555 89502 303923855 913854 a-Alanine, conf. I
512984.5708 4.1833 -5.2991 3 879.1839555 89502 303923854 913853 a-Alanine, conf. I
513023.2750 1.8206 -5.3509 3 971.4789663 89502 303B0 6A4 A9 6A3 a-Alanine, conf. I
513023.2750 1.8206 -4.7455 3 971.4789663 89502 303B0 6A4 A9 7A3 a-Alanine, conf. I
513023.2750 1.8206 -4.7455 3 971.4789663 89502 303B0 7A4 A9 6A3 a-Alanine, conf. I
513023.2750 1.8206 -5.3509 3 971.4789663 89502 303B0 7A4 A9 7A3 a-Alanine, conf. I
513038.8523 4.4682 -5.3419 3 531.8246441 89502 303732449 722349 a-Alanine, conf. I
513078.1829 0.5107 -5.3177 3 531.6588435 89502 303722944 712844 a-Alanine, conf. I
513087.4650 0.2501 -5.1171 3 434.1088345 89502 303574413 564313 a-Alanine, conf. I
513087.4650 0.2501 -4.0013 3 434.1088345 89502 303574413 564314 a-Alanine, conf. I
513087.4650 0.2501 -4.0013 3 434.1088345 89502 303574414 564313 a-Alanine, conf. I
513087.4650 0.2501 -5.1171 3 434.1088345 89502 303574414 564314 a-Alanine, conf. I
513088.1510 3.6851 -5.0684 3 832.1558549 89502 303913161 903060 a-Alanine, conf. I
513130.8751 3.3159 -5.4123 3 924.4438561 89502 303934351 924350 a-Alanine, conf. I
513130.8756 3.3159 -5.4123 3 924.4438561 89502 303934350 924349 a-Alanine, conf. I
513148.9452 1.3752 -5.3359 3 937.5651615 89502 303A21785 A11784 a-Alanine, conf. I
513148.9452 1.3752 -4.8279 3 937.5651615 89502 303A21785 A11884 a-Alanine, conf. I
513148.9452 1.3752 -4.8279 3 937.5651615 89502 303A21885 A11784 a-Alanine, conf. I
513148.9452 1.3752 -5.3359 3 937.5651615 89502 303A21885 A11884 a-Alanine, conf. I
513169.1689 1.3582 -5.1236 3 801.3832537 89502 303893158 883157 a-Alanine, conf. I
513241.1503 1.3972 -4.9064 3 902.4658585 89502 303972473 962572 a-Alanine, conf. I
513241.1504 1.3972 -5.2971 3 902.4658585 89502 303972573 962572 a-Alanine, conf. I
513241.1505 1.3972 -5.2971 3 902.4658585 89502 303972473 962472 a-Alanine, conf. I
513241.1506 1.3972 -4.9064 3 902.4658585 89502 303972573 962472 a-Alanine, conf. I
513306.2820 1.3491 -5.2149 3 849.2706555 89502 303923162 913161 a-Alanine, conf. I
513310.5633 1.3719 -5.0239 3 861.8730561 89502 303932964 923063 a-Alanine, conf. I
513340.9850 5.8555 -4.7269 3 573.4318453 89502 303752947 742846 a-Alanine, conf. I
513427.5736 1.3428 -5.2360 3 861.8730561 89502 303933064 923063 a-Alanine, conf. I
513449.0234 0.7876 -5.3513 3 236.0380315 89502 30352 943 51 844 a-Alanine, conf. I
513449.0234 0.7876 -5.3513 3 236.0380315 89502 303521043 51 744 a-Alanine, conf. I
513470.1794 7.4782 -5.3769 3 566.0959453 89502 303752649 742549 a-Alanine, conf. I
513529.6363 1.3324 -5.2358 3 861.8657561 89502 303932964 922963 a-Alanine, conf. I
513581.2684 0.4161 -5.0658 3 426.6736309 89502 3035151 0 5050 0 a-Alanine, conf. I
513581.2684 0.4161 -3.8999 3 426.6736309 89502 3035151 0 5050 1 a-Alanine, conf. I
513581.2684 0.4161 -3.8999 3 426.6736309 89502 3035151 1 5050 0 a-Alanine, conf. I
513581.2684 0.4161 -5.0658 3 426.6736309 89502 3035151 1 5050 1 a-Alanine, conf. I
513595.0726 1.4830 -5.3432 3 458.6429423 89502 303701654 691554 a-Alanine, conf. I
513595.0730 1.4830 -5.3432 3 458.6429423 89502 303701754 691654 a-Alanine, conf. I
513646.6466 1.3335 -5.0233 3 861.8657561 89502 303933064 922963 a-Alanine, conf. I
513646.8585 2.9345 -5.3488 3 983.5780687 89502 303B4 1B3 B3 1B2 a-Alanine, conf. I
513646.8585 2.9345 -4.7155 3 983.5780687 89502 303B4 1B3 B3 2B2 a-Alanine, conf. I
513646.8585 2.9345 -4.7155 3 983.5780687 89502 303B4 2B3 B3 1B2 a-Alanine, conf. I
513646.8585 2.9345 -5.3488 3 983.5780687 89502 303B4 2B3 B3 2B2 a-Alanine, conf. I
513693.0465 8.3632 -4.9276 3 396.3221381 89502 303632241 622142 a-Alanine, conf. I
513743.8480 0.2603 -5.1273 3 437.8734351 89502 303584315 574215 a-Alanine, conf. I
513743.8480 0.2603 -4.0214 3 437.8734351 89502 303584315 574216 a-Alanine, conf. I
513743.8480 0.2603 -4.0214 3 437.8734351 89502 303584316 574215 a-Alanine, conf. I
513743.8480 0.2603 -5.1273 3 437.8734351 89502 303584316 574216 a-Alanine, conf. I
513744.5888 1.4032 -5.3261 3 926.4470603 89502 303A02080 992079 a-Alanine, conf. I
513744.5888 1.4032 -4.8593 3 926.4470603 89502 303A02080 992179 a-Alanine, conf. I
513744.5888 1.4032 -4.8593 3 926.4470603 89502 303A02180 992079 a-Alanine, conf. I
513744.5888 1.4032 -5.3261 3 926.4470603 89502 303A02180 992179 a-Alanine, conf. I
513746.5516 1.3552 -5.3499 3 954.7427633 89502 303A51392 A41391 a-Alanine, conf. I
513746.5516 1.3552 -4.7986 3 954.7427633 89502 303A51392 A41491 a-Alanine, conf. I
513746.5516 1.3552 -4.7986 3 954.7427633 89502 303A51492 A41391 a-Alanine, conf. I
513746.5516 1.3552 -5.3499 3 954.7427633 89502 303A51492 A41491 a-Alanine, conf. I
513779.4764 0.9730 -5.4103 3 420.3757417 89502 303691158 681058 a-Alanine, conf. I
513779.4764 0.9730 -5.4103 3 420.3757417 89502 303691258 681158 a-Alanine, conf. I
513798.1960 3.1827 -5.1679 3 339.3943351 89502 303582336 572037 a-Alanine, conf. I
513829.7071 1.3694 -4.9904 3 874.0670567 89502 303942866 932965 a-Alanine, conf. I
513837.8695 1.3679 -5.2555 3 874.0670567 89502 303942966 932965 a-Alanine, conf. I
513845.7572 1.3668 -5.2554 3 874.0664567 89502 303942866 932865 a-Alanine, conf. I
513853.9196 1.3656 -4.9904 3 874.0664567 89502 303942966 932865 a-Alanine, conf. I
513867.4302 3.8623 -4.6719 3 559.2793447 89502 303742946 732845 a-Alanine, conf. I
513890.2569 6.2024 -5.2251 3 848.1993549 89502 303913556 903555 a-Alanine, conf. I
513976.0844 0.8780 -4.5739 3 531.6588435 89502 303722943 712844 a-Alanine, conf. I
514030.2638 3.4777 -5.3927 3 918.3641561 89502 303934252 924251 a-Alanine, conf. I
514030.2686 3.4777 -5.3927 3 918.3641561 89502 303934251 924250 a-Alanine, conf. I
514077.4967 2.0020 -5.3562 3 977.7942669 89502 303B1 5A6 B0 5A5 a-Alanine, conf. I
514077.4967 2.0020 -4.7446 3 977.7942669 89502 303B1 5A6 B0 6A5 a-Alanine, conf. I
514077.4967 2.0020 -4.7446 3 977.7942669 89502 303B1 6A6 B0 5A5 a-Alanine, conf. I
514077.4967 2.0020 -5.3562 3 977.7942669 89502 303B1 6A6 B0 6A5 a-Alanine, conf. I
514089.1719 1.4954 -5.3566 3 968.1599651 89502 303A8 999 A7 998 a-Alanine, conf. I
514089.1719 1.4954 -4.7717 3 968.1599651 89502 303A8 999 A71098 a-Alanine, conf. I
514089.1719 1.4954 -4.7717 3 968.1599651 89502 303A81099 A7 998 a-Alanine, conf. I
514089.1719 1.4954 -5.3566 3 968.1599651 89502 303A81099 A71098 a-Alanine, conf. I
514164.4398 4.2547 -5.2119 3 844.0148549 89502 303913458 903457 a-Alanine, conf. I
514178.1957 2.9772 -5.3298 3 510.9053435 89502 303722250 712150 a-Alanine, conf. I
514266.9089 2.9234 -5.3296 3 510.9063435 89502 303722350 712250 a-Alanine, conf. I
514300.7186 0.3618 -5.0733 3 428.1697315 89502 3035250 2 5149 2 a-Alanine, conf. I
514300.7186 0.3618 -3.9137 3 428.1697315 89502 3035250 2 5149 3 a-Alanine, conf. I
514300.7186 0.3618 -3.9137 3 428.1697315 89502 3035250 3 5149 2 a-Alanine, conf. I
514300.7186 0.3618 -5.0733 3 428.1697315 89502 3035250 3 5149 3 a-Alanine, conf. I
514306.2525 1.4332 -5.2129 3 849.1929555 89502 303923062 913061 a-Alanine, conf. I
514380.2397 0.2745 -5.1379 3 441.9978357 89502 303594217 584117 a-Alanine, conf. I
514380.2397 0.2745 -4.0427 3 441.9978357 89502 303594217 584118 a-Alanine, conf. I
514380.2397 0.2745 -4.0427 3 441.9978357 89502 303594218 584117 a-Alanine, conf. I
514380.2397 0.2745 -5.1379 3 441.9978357 89502 303594218 584118 a-Alanine, conf. I
514388.4746 5.9307 -5.3587 3 548.9377447 89502 303742549 732449 a-Alanine, conf. I
514423.2714 1.3750 -5.3461 3 946.4800621 89502 303A31687 A21686 a-Alanine, conf. I
514423.2714 1.3750 -4.8257 3 946.4800621 89502 303A31687 A21786 a-Alanine, conf. I
514423.2714 1.3750 -4.8257 3 946.4800621 89502 303A31787 A21686 a-Alanine, conf. I
514423.2714 1.3750 -5.3461 3 946.4800621 89502 303A31787 A21786 a-Alanine, conf. I
514426.9300 3.0809 -5.2003 3 840.1169549 89502 303913359 903358 a-Alanine, conf. I
514427.1780 1.4109 -5.3112 3 913.1149591 89502 303982375 972374 a-Alanine, conf. I
514427.1780 1.4109 -4.8974 3 913.1149591 89502 303982375 972474 a-Alanine, conf. I
514427.1780 1.4109 -4.8974 3 913.1149591 89502 303982475 972374 a-Alanine, conf. I
514427.1780 1.4109 -5.3112 3 913.1149591 89502 303982475 972474 a-Alanine, conf. I
514435.1983 1.3658 -5.3373 3 545.3893441 89502 303732944 722844 a-Alanine, conf. I
514477.5054 3.7297 -5.4018 3 600.3014465 89502 303772849 762749 a-Alanine, conf. I
514529.9056 2.9696 -4.9387 3 328.0420351 89502 303581840 571741 a-Alanine, conf. I
514549.4172 3.2514 -5.3520 3 988.6797693 89502 303B5 0B5 B4 0B4 a-Alanine, conf. I
514549.4172 3.2514 -4.7140 3 988.6797693 89502 303B5 0B5 B4 1B4 a-Alanine, conf. I
514549.4172 3.2514 -4.7140 3 988.6797693 89502 303B5 1B5 B4 0B4 a-Alanine, conf. I
514549.4172 3.2514 -5.3520 3 988.6797693 89502 303B5 1B5 B4 1B4 a-Alanine, conf. I
514553.1265 1.3883 -4.9668 3 885.9010573 89502 303952768 942867 a-Alanine, conf. I
514553.5965 1.3883 -5.2733 3 885.9010573 89502 303952868 942867 a-Alanine, conf. I
514554.0888 1.3882 -5.2733 3 885.9009573 89502 303952768 942767 a-Alanine, conf. I
514554.5588 1.3881 -4.9668 3 885.9009573 89502 303952868 942767 a-Alanine, conf. I
514591.1635 1.5818 -5.0567 3 283.5252333 89502 303551441 541342 a-Alanine, conf. I
514591.9294 1.5816 -5.0567 3 283.5252333 89502 303551541 541242 a-Alanine, conf. I
514636.2934 0.7791 -5.4979 3 261.2990309 89502 303512130 501833 a-Alanine, conf. I
514680.4958 4.4888 -5.2812 3 874.2419555 89502 303923756 913755 a-Alanine, conf. I
514767.1156 4.6047 -5.2810 3 874.2449555 89502 303923755 913754 a-Alanine, conf. I
514791.1347 0.7644 -5.0137 3 361.8244363 89502 303602338 592039 a-Alanine, conf. I
514791.4395 3.5198 -5.3391 3 531.8515441 89502 303732549 722449 a-Alanine, conf. I
514826.5567 0.4762 -4.4867 3 521.9684429 89502 303713042 702941 a-Alanine, conf. I
514892.5235 0.4720 -5.3005 3 521.9684429 89502 303713041 702941 a-Alanine, conf. I
514914.6758 3.7000 -4.9258 3 341.9823357 89502 303591940 581841 a-Alanine, conf. I
514964.9623 1.3757 -5.3582 3 962.7207639 89502 303A61294 A51293 a-Alanine, conf. I
514964.9623 1.3757 -4.7975 3 962.7207639 89502 303A61294 A51393 a-Alanine, conf. I
514964.9623 1.3757 -4.7975 3 962.7207639 89502 303A61394 A51293 a-Alanine, conf. I
514964.9623 1.3757 -5.3582 3 962.7207639 89502 303A61394 A51393 a-Alanine, conf. I
514991.7316 0.2910 -5.1490 3 446.4855363 89502 303604119 594019 a-Alanine, conf. I
514991.7316 0.2910 -4.0654 3 446.4855363 89502 303604119 594020 a-Alanine, conf. I
514991.7316 0.2910 -4.0654 3 446.4855363 89502 303604120 594019 a-Alanine, conf. I
514991.7316 0.2910 -5.1490 3 446.4855363 89502 303604120 594020 a-Alanine, conf. I
515002.3092 2.0746 -5.3304 3 485.2213429 89502 303711952 701852 a-Alanine, conf. I
515002.5935 2.0744 -5.3304 3 485.2213429 89502 303712052 701952 a-Alanine, conf. I
515014.9293 0.3178 -5.0812 3 430.0117321 89502 3035349 4 5248 4 a-Alanine, conf. I
515014.9293 0.3178 -3.9283 3 430.0117321 89502 3035349 4 5248 5 a-Alanine, conf. I
515014.9293 0.3178 -3.9283 3 430.0117321 89502 3035349 5 5248 4 a-Alanine, conf. I
515014.9293 0.3178 -5.0812 3 430.0117321 89502 3035349 5 5248 5 a-Alanine, conf. I
515024.7162 1.4079 -5.3378 3 936.0879609 89502 303A11982 A01981 a-Alanine, conf. I
515024.7162 1.4079 -4.8554 3 936.0879609 89502 303A11982 A02081 a-Alanine, conf. I
515024.7162 1.4079 -4.8554 3 936.0879609 89502 303A12082 A01981 a-Alanine, conf. I
515024.7162 1.4079 -5.3378 3 936.0879609 89502 303A12082 A02081 a-Alanine, conf. I
515040.0301 3.6605 -5.3735 3 912.4986561 89502 303934153 924152 a-Alanine, conf. I
515040.0779 3.6606 -5.3735 3 912.4986561 89502 303934152 924151 a-Alanine, conf. I
515058.0150 0.4785 -5.3002 3 521.9607429 89502 303713042 702942 a-Alanine, conf. I
515077.5398 2.8011 -4.9380 3 328.0414351 89502 303581940 571641 a-Alanine, conf. I
515078.9601 0.9668 -5.4345 3 414.6654417 89502 303691059 68 959 a-Alanine, conf. I
515078.9601 0.9668 -5.4345 3 414.6654417 89502 303691159 681059 a-Alanine, conf. I
515101.2928 2.2128 -5.3611 3 983.8773675 89502 303B2 4A8 B1 4A7 a-Alanine, conf. I
515101.2928 2.2128 -4.7436 3 983.8773675 89502 303B2 4A8 B1 5A7 a-Alanine, conf. I
515101.2928 2.2128 -4.7436 3 983.8773675 89502 303B2 5A8 B1 4A7 a-Alanine, conf. I
515101.2928 2.2128 -5.3611 3 983.8773675 89502 303B2 5A8 B1 5A7 a-Alanine, conf. I
515123.9818 0.4884 -4.4862 3 521.9607429 89502 303713041 702942 a-Alanine, conf. I
515220.1770 1.5945 -5.3632 3 975.1987657 89502 303A9 8A1 A8 8A0 a-Alanine, conf. I
515220.1770 1.5945 -4.7710 3 975.1987657 89502 303A9 8A1 A8 9A0 a-Alanine, conf. I
515220.1770 1.5945 -4.7710 3 975.1987657 89502 303A9 9A1 A8 8A0 a-Alanine, conf. I
515220.1770 1.5945 -5.3632 3 975.1987657 89502 303A9 9A1 A8 9A0 a-Alanine, conf. I
515377.0933 1.3382 -5.3545 3 453.5987423 89502 303701555 691455 a-Alanine, conf. I
515377.0934 1.3382 -5.3545 3 453.5987423 89502 303701655 691555 a-Alanine, conf. I
515472.1462 1.4051 -4.9492 3 897.4152579 89502 303962670 952769 a-Alanine, conf. I
515472.1691 1.4051 -5.2900 3 897.4152579 89502 303962770 952769 a-Alanine, conf. I
515472.1947 1.4051 -5.2900 3 897.4152579 89502 303962670 952669 a-Alanine, conf. I
515472.2175 1.4051 -4.9492 3 897.4152579 89502 303962770 952669 a-Alanine, conf. I
515572.0747 0.3090 -5.1604 3 451.3405369 89502 303614021 603921 a-Alanine, conf. I
515572.0747 0.3090 -4.0894 3 451.3405369 89502 303614021 603922 a-Alanine, conf. I
515572.0747 0.3090 -4.0894 3 451.3405369 89502 303614022 603921 a-Alanine, conf. I
515572.0747 0.3090 -5.1604 3 451.3405369 89502 303614022 603922 a-Alanine, conf. I
515635.7933 2.4884 -5.0718 3 849.1929555 89502 303923162 913061 a-Alanine, conf. I
515655.9221 1.4230 -5.3246 3 923.5127597 89502 303992277 982276 a-Alanine, conf. I
515655.9221 1.4230 -4.8903 3 923.5127597 89502 303992277 982376 a-Alanine, conf. I
515655.9221 1.4230 -4.8903 3 923.5127597 89502 303992377 982276 a-Alanine, conf. I
515655.9221 1.4230 -5.3246 3 923.5127597 89502 303992377 982376 a-Alanine, conf. I
515686.5839 1.3758 -5.3558 3 955.1703627 89502 303A41589 A31588 a-Alanine, conf. I
515686.5839 1.3758 -4.8239 3 955.1703627 89502 303A41589 A31688 a-Alanine, conf. I
515686.5839 1.3758 -4.8239 3 955.1703627 89502 303A41689 A31588 a-Alanine, conf. I
515686.5839 1.3758 -5.3558 3 955.1703627 89502 303A41689 A31688 a-Alanine, conf. I
515722.7988 0.2852 -5.0895 3 432.2011327 89502 3035448 6 5347 6 a-Alanine, conf. I
515722.7988 0.2852 -3.9439 3 432.2011327 89502 3035448 6 5347 7 a-Alanine, conf. I
515722.7988 0.2852 -3.9439 3 432.2011327 89502 3035448 7 5347 6 a-Alanine, conf. I
515722.7988 0.2852 -5.0895 3 432.2011327 89502 3035448 7 5347 7 a-Alanine, conf. I
515969.9226 2.9466 -5.5139 3 967.7990567 89502 303944747 934746 a-Alanine, conf. I
515969.9226 2.9466 -5.5139 3 967.7990567 89502 303944748 934747 a-Alanine, conf. I
516021.6922 2.2145 -5.1518 3 818.5007543 89502 303903159 893158 a-Alanine, conf. I
516041.7282 10.4782 -4.8271 3 495.3665423 89502 303702644 692545 a-Alanine, conf. I
516093.6497 2.4524 -5.3656 3 989.7260681 89502 303B3 3B0 B2 3A9 a-Alanine, conf. I
516093.6497 2.4524 -4.7426 3 989.7260681 89502 303B3 3B0 B2 4A9 a-Alanine, conf. I
516093.6497 2.4524 -4.7426 3 989.7260681 89502 303B3 4B0 B2 3A9 a-Alanine, conf. I
516093.6497 2.4524 -5.3656 3 989.7260681 89502 303B3 4B0 B2 4A9 a-Alanine, conf. I
516113.2435 0.3280 -5.1722 3 456.5677375 89502 303623923 613823 a-Alanine, conf. I
516113.2435 0.3280 -4.1150 3 456.5677375 89502 303623923 613824 a-Alanine, conf. I
516113.2435 0.3280 -4.1150 3 456.5677375 89502 303623924 613823 a-Alanine, conf. I
516113.2435 0.3280 -5.1722 3 456.5677375 89502 303623924 613824 a-Alanine, conf. I
516150.5375 13.6881 -5.0714 3 765.0006525 89502 303873157 863056 a-Alanine, conf. I
516162.2510 1.4107 -5.3662 3 970.4749645 89502 303A71196 A61195 a-Alanine, conf. I
516162.2510 1.4107 -4.7967 3 970.4749645 89502 303A71196 A61295 a-Alanine, conf. I
516162.2510 1.4107 -4.7967 3 970.4749645 89502 303A71296 A61195 a-Alanine, conf. I
516162.2510 1.4107 -5.3662 3 970.4749645 89502 303A71296 A61295 a-Alanine, conf. I
516179.3165 5.2972 -5.1221 3 803.9072537 89502 303893257 883256 a-Alanine, conf. I
516186.2837 3.8721 -5.3547 3 906.8567561 89502 303934054 924053 a-Alanine, conf. I
516186.7151 3.8728 -5.3547 3 906.8567561 89502 303934053 924052 a-Alanine, conf. I
516307.0262 1.4100 -5.3490 3 945.4987615 89502 303A21884 A11883 a-Alanine, conf. I
516307.0262 1.4100 -4.8523 3 945.4987615 89502 303A21884 A11983 a-Alanine, conf. I
516307.0262 1.4100 -4.8523 3 945.4987615 89502 303A21984 A11883 a-Alanine, conf. I
516307.0262 1.4100 -5.3490 3 945.4987615 89502 303A21984 A11983 a-Alanine, conf. I
516311.8401 0.9942 -5.4628 3 408.8094417 89502 30369 960 68 860 a-Alanine, conf. I
516311.8401 0.9942 -5.4628 3 408.8094417 89502 303691060 68 960 a-Alanine, conf. I
516323.9568 1.7215 -5.3694 3 982.0098663 89502 303B0 7A3 A9 7A2 a-Alanine, conf. I
516323.9568 1.7215 -4.7702 3 982.0098663 89502 303B0 7A3 A9 8A2 a-Alanine, conf. I
516323.9568 1.7215 -4.7702 3 982.0098663 89502 303B0 8A3 A9 7A2 a-Alanine, conf. I
516323.9568 1.7215 -5.3694 3 982.0098663 89502 303B0 8A3 A9 8A2 a-Alanine, conf. I
516422.9524 0.2642 -5.0983 3 434.7394333 89502 3035547 8 5446 8 a-Alanine, conf. I
516422.9524 0.2642 -3.9603 3 434.7394333 89502 3035547 8 5446 9 a-Alanine, conf. I
516422.9524 0.2642 -3.9603 3 434.7394333 89502 3035547 9 5446 8 a-Alanine, conf. I
516422.9524 0.2642 -5.0983 3 434.7394333 89502 3035547 9 5446 9 a-Alanine, conf. I
516439.7242 0.4753 -4.4195 3 512.8477423 89502 303703140 693039 a-Alanine, conf. I
516443.3797 0.4761 -5.2835 3 512.8477423 89502 303703139 693039 a-Alanine, conf. I
516454.0971 0.4780 -5.2835 3 512.8472423 89502 303703140 693040 a-Alanine, conf. I
516457.7526 0.4788 -4.4195 3 512.8472423 89502 303703139 693040 a-Alanine, conf. I
516522.2736 1.4207 -4.9358 3 908.6372585 89502 303972572 962671 a-Alanine, conf. I
516522.2746 1.4207 -5.3057 3 908.6372585 89502 303972672 962671 a-Alanine, conf. I
516522.2757 1.4207 -5.3057 3 908.6372585 89502 303972572 962571 a-Alanine, conf. I
516522.2767 1.4207 -4.9358 3 908.6372585 89502 303972672 962571 a-Alanine, conf. I
516603.0634 3.0674 -5.4925 3 960.9442567 89502 303944648 934647 a-Alanine, conf. I
516603.0634 3.0674 -5.4925 3 960.9442567 89502 303944649 934648 a-Alanine, conf. I
516604.8136 0.3478 -5.1845 3 462.1728381 89502 303633825 623725 a-Alanine, conf. I
516604.8136 0.3478 -4.1424 3 462.1728381 89502 303633825 623726 a-Alanine, conf. I
516604.8136 0.3478 -4.1424 3 462.1728381 89502 303633826 623725 a-Alanine, conf. I
516604.8136 0.3478 -5.1845 3 462.1728381 89502 303633826 623726 a-Alanine, conf. I
516664.1574 4.7918 -5.2634 3 869.5854555 89502 303923657 913656 a-Alanine, conf. I
516740.7372 1.7931 -5.0813 3 866.3927561 89502 303933063 923162 a-Alanine, conf. I
516764.7165 3.1398 -4.9236 3 341.9800357 89502 303592040 581741 a-Alanine, conf. I
516766.3884 2.8825 -5.3508 3 552.4374447 89502 303742748 732648 a-Alanine, conf. I
516912.0919 1.4328 -5.3375 3 933.6670603 89502 303A02179 992178 a-Alanine, conf. I
516912.0919 1.4328 -4.8848 3 933.6670603 89502 303A02179 992278 a-Alanine, conf. I
516912.0919 1.4328 -4.8848 3 933.6670603 89502 303A02279 992178 a-Alanine, conf. I
516912.0919 1.4328 -5.3375 3 933.6670603 89502 303A02279 992278 a-Alanine, conf. I
516935.5901 1.3803 -5.3651 3 963.6367633 89502 303A51491 A41490 a-Alanine, conf. I
516935.5901 1.3803 -4.8226 3 963.6367633 89502 303A51491 A41590 a-Alanine, conf. I
516935.5901 1.3803 -4.8226 3 963.6367633 89502 303A51591 A41490 a-Alanine, conf. I
516935.5901 1.3803 -5.3651 3 963.6367633 89502 303A51591 A41590 a-Alanine, conf. I
516976.3623 1.9786 -5.3549 3 559.2793447 89502 303742945 732845 a-Alanine, conf. I
517031.7825 1.2154 -5.3677 3 448.3929423 89502 303701456 691356 a-Alanine, conf. I
517031.7825 1.2154 -5.3677 3 448.3929423 89502 303701556 691456 a-Alanine, conf. I
517033.0519 0.3685 -5.1972 3 468.1628387 89502 303643727 633627 a-Alanine, conf. I
517033.0519 0.3685 -4.1717 3 468.1628387 89502 303643727 633628 a-Alanine, conf. I
517033.0519 0.3685 -4.1717 3 468.1628387 89502 303643728 633627 a-Alanine, conf. I
517033.0519 0.3685 -5.1972 3 468.1628387 89502 303643728 633628 a-Alanine, conf. I
517053.6212 2.7202 -5.3697 3 995.3381687 89502 303B4 2B2 B3 2B1 a-Alanine, conf. I
517053.6212 2.7202 -4.7414 3 995.3381687 89502 303B4 2B2 B3 3B1 a-Alanine, conf. I
517053.6212 2.7202 -4.7414 3 995.3381687 89502 303B4 3B2 B3 2B1 a-Alanine, conf. I
517053.6212 2.7202 -5.3697 3 995.3381687 89502 303B4 3B2 B3 3B1 a-Alanine, conf. I
517091.9350 1.6586 -5.2172 3 853.3719555 89502 303923261 913260 a-Alanine, conf. I
517113.6769 0.2545 -5.1075 3 437.6284339 89502 303564610 554510 a-Alanine, conf. I
517113.6769 0.2545 -3.9776 3 437.6284339 89502 303564610 554511 a-Alanine, conf. I
517113.6769 0.2545 -3.9776 3 437.6284339 89502 303564611 554510 a-Alanine, conf. I
517113.6769 0.2545 -5.1075 3 437.6284339 89502 303564611 554511 a-Alanine, conf. I
517149.5469 1.1754 -5.1535 3 266.2750327 89502 303541242 531143 a-Alanine, conf. I
517149.5571 1.1754 -5.1535 3 266.2750327 89502 303541342 531043 a-Alanine, conf. I
517164.2131 5.3990 -5.2626 3 869.6051555 89502 303923656 913655 a-Alanine, conf. I
517167.8582 3.9766 -5.2647 3 328.3534345 89502 303572335 562036 a-Alanine, conf. I
517240.1473 0.4711 -4.3645 3 504.2666417 89502 303693238 683137 a-Alanine, conf. I
517240.3057 0.4711 -5.2676 3 504.2666417 89502 303693237 683137 a-Alanine, conf. I
517240.8334 0.4712 -5.2676 3 504.2666417 89502 303693238 683138 a-Alanine, conf. I
517240.9918 0.4713 -4.3645 3 504.2666417 89502 303693237 683138 a-Alanine, conf. I
517291.8274 1.8652 -5.3373 3 480.5876429 89502 303711853 701753 a-Alanine, conf. I
517291.8532 1.8652 -5.3373 3 480.5876429 89502 303711953 701853 a-Alanine, conf. I
517296.3062 3.1973 -5.4716 3 954.2830567 89502 303944549 934548 a-Alanine, conf. I
517296.3062 3.1973 -5.4716 3 954.2830567 89502 303944550 934549 a-Alanine, conf. I
517336.5209 1.4646 -5.3737 3 978.0044651 89502 303A81098 A71097 a-Alanine, conf. I
517336.5209 1.4646 -4.7960 3 978.0044651 89502 303A81098 A71197 a-Alanine, conf. I
517336.5209 1.4646 -4.7960 3 978.0044651 89502 303A81198 A71097 a-Alanine, conf. I
517336.5209 1.4646 -5.3737 3 978.0044651 89502 303A81198 A71197 a-Alanine, conf. I
517379.5371 0.3902 -5.2103 3 474.5461393 89502 303653629 643529 a-Alanine, conf. I
517379.5371 0.3902 -4.2034 3 474.5461393 89502 303653629 643530 a-Alanine, conf. I
517379.5371 0.3902 -4.2034 3 474.5461393 89502 303653630 643529 a-Alanine, conf. I
517379.5371 0.3902 -5.2103 3 474.5461393 89502 303653630 643530 a-Alanine, conf. I
517399.2410 1.8778 -5.3752 3 988.5915669 89502 303B1 6A5 B0 6A4 a-Alanine, conf. I
517399.2410 1.8778 -4.7695 3 988.5915669 89502 303B1 6A5 B0 7A4 a-Alanine, conf. I
517399.2410 1.8778 -4.7695 3 988.5915669 89502 303B1 7A5 B0 6A4 a-Alanine, conf. I
517399.2410 1.8778 -5.3752 3 988.5915669 89502 303B1 7A5 B0 7A4 a-Alanine, conf. I
517447.1778 5.3262 -5.1650 3 870.6202561 89502 303933162 923261 a-Alanine, conf. I
517477.9169 2.6208 -5.3329 3 506.7594435 89502 303722151 712051 a-Alanine, conf. I
517485.2548 1.0518 -5.4964 3 402.8097417 89502 30369 861 68 761 a-Alanine, conf. I
517485.2548 1.0518 -5.4964 3 402.8097417 89502 30369 961 68 861 a-Alanine, conf. I
517485.9995 1.3689 -5.2389 3 866.3927561 89502 303933163 923162 a-Alanine, conf. I
517489.5202 2.6134 -5.3329 3 506.7595435 89502 303722251 712151 a-Alanine, conf. I
517505.7597 4.1235 -5.3362 3 901.4501561 89502 303933955 923954 a-Alanine, conf. I
517509.2675 4.1290 -5.3362 3 901.4502561 89502 303933954 923953 a-Alanine, conf. I
517581.3690 1.3964 -5.0343 3 878.9991567 89502 303942965 933064 a-Alanine, conf. I
517585.8797 1.4103 -5.3597 3 954.6819621 89502 303A31786 A21785 a-Alanine, conf. I
517585.8797 1.4103 -4.8499 3 954.6819621 89502 303A31786 A21885 a-Alanine, conf. I
517585.8797 1.4103 -4.8499 3 954.6819621 89502 303A31886 A21785 a-Alanine, conf. I
517585.8797 1.4103 -5.3597 3 954.6819621 89502 303A31886 A21885 a-Alanine, conf. I
517596.4361 0.5798 -5.3324 3 545.2272441 89502 303732945 722845 a-Alanine, conf. I
517616.7762 0.4553 -4.3172 3 496.1735411 89502 303683336 673235 a-Alanine, conf. I
517616.7816 0.4553 -5.2525 3 496.1735411 89502 303683335 673235 a-Alanine, conf. I
517616.8020 0.4554 -5.2525 3 496.1735411 89502 303683336 673236 a-Alanine, conf. I
517616.8074 0.4554 -4.3172 3 496.1735411 89502 303683335 673236 a-Alanine, conf. I
517618.9825 0.4125 -5.2239 3 481.3330399 89502 303663531 653431 a-Alanine, conf. I
517618.9825 0.4125 -4.2377 3 481.3330399 89502 303663531 653432 a-Alanine, conf. I
517618.9825 0.4125 -4.2377 3 481.3330399 89502 303663532 653431 a-Alanine, conf. I
517618.9825 0.4125 -5.2239 3 481.3330399 89502 303663532 653432 a-Alanine, conf. I
517643.1306 1.3829 -5.2599 3 878.9991567 89502 303943065 933064 a-Alanine, conf. I
517659.6912 1.4355 -4.9253 3 919.5857591 89502 303982474 972573 a-Alanine, conf. I
517659.6912 1.4355 -5.3206 3 919.5857591 89502 303982574 972573 a-Alanine, conf. I
517659.6913 1.4355 -5.3206 3 919.5857591 89502 303982474 972473 a-Alanine, conf. I
517659.6913 1.4355 -4.9253 3 919.5857591 89502 303982574 972473 a-Alanine, conf. I
517698.3792 1.3760 -5.2598 3 878.9952567 89502 303942965 932964 a-Alanine, conf. I
517715.6196 0.4347 -4.2754 3 488.5365405 89502 303673434 663333 a-Alanine, conf. I
517715.6198 0.4347 -5.2379 3 488.5365405 89502 303673433 663333 a-Alanine, conf. I
517715.6204 0.4347 -5.2379 3 488.5365405 89502 303673434 663334 a-Alanine, conf. I
517715.6205 0.4347 -4.2754 3 488.5365405 89502 303673433 663334 a-Alanine, conf. I
517756.0741 1.6297 -5.3493 3 555.7037447 89502 303742847 732747 a-Alanine, conf. I
517760.1408 1.3717 -5.0340 3 878.9952567 89502 303943065 932964 a-Alanine, conf. I
517792.8366 0.2544 -5.1170 3 440.8702345 89502 303574512 564412 a-Alanine, conf. I
517792.8366 0.2544 -3.9960 3 440.8702345 89502 303574512 564413 a-Alanine, conf. I
517792.8366 0.2544 -3.9960 3 440.8702345 89502 303574513 564412 a-Alanine, conf. I
517792.8366 0.2544 -5.1170 3 440.8702345 89502 303574513 564413 a-Alanine, conf. I
517816.9636 13.9489 -4.9502 3 665.7065489 89502 303813052 802951 a-Alanine, conf. I
517980.3199 3.0157 -5.3735 3 1000.7114693 89502 303B5 1B4 B4 1B3 a-Alanine, conf. I
517980.3199 3.0157 -4.7402 3 1000.7114693 89502 303B5 1B4 B4 2B3 a-Alanine, conf. I
517980.3199 3.0157 -4.7402 3 1000.7114693 89502 303B5 2B4 B4 1B3 a-Alanine, conf. I
517980.3199 3.0157 -5.3735 3 1000.7114693 89502 303B5 2B4 B4 2B3 a-Alanine, conf. I
518059.2488 3.3386 -5.4512 3 947.8198567 89502 303944451 934450 a-Alanine, conf. I
518059.2489 3.3386 -5.4512 3 947.8198567 89502 303944450 934449 a-Alanine, conf. I
518070.2780 1.3812 -5.2377 3 866.3483561 89502 303933063 923062 a-Alanine, conf. I
518129.0195 1.4085 -5.0042 3 891.2067573 89502 303952867 942966 a-Alanine, conf. I
518133.1334 1.4078 -5.2792 3 891.2067573 89502 303952967 942966 a-Alanine, conf. I
518137.1820 1.4072 -5.2792 3 891.2065573 89502 303952867 942866 a-Alanine, conf. I
518141.2958 1.4065 -5.0042 3 891.2065573 89502 303952967 942866 a-Alanine, conf. I
518167.4924 1.3917 -5.3739 3 971.8794639 89502 303A61393 A51392 a-Alanine, conf. I
518167.4924 1.3917 -4.8216 3 971.8794639 89502 303A61393 A51492 a-Alanine, conf. I
518167.4924 1.3917 -4.8216 3 971.8794639 89502 303A61493 A51392 a-Alanine, conf. I
518167.4924 1.3917 -5.3739 3 971.8794639 89502 303A61493 A51492 a-Alanine, conf. I
518184.3965 1.4399 -5.3498 3 943.5837609 89502 303A12081 A02080 a-Alanine, conf. I
518184.3965 1.4399 -4.8804 3 943.5837609 89502 303A12081 A02180 a-Alanine, conf. I
518184.3965 1.4399 -4.8804 3 943.5837609 89502 303A12181 A02080 a-Alanine, conf. I
518184.3965 1.4399 -5.3498 3 943.5837609 89502 303A12181 A02180 a-Alanine, conf. I
518267.0416 1.8474 -5.0221 3 296.9878339 89502 303561541 551442 a-Alanine, conf. I
518270.8256 1.8462 -5.0221 3 296.9878339 89502 303561641 551342 a-Alanine, conf. I
518361.6309 12.4638 -5.2816 3 892.1056567 89502 303943262 933361 a-Alanine, conf. I
518379.4505 3.3228 -4.9157 3 356.0795363 89502 303602140 591841 a-Alanine, conf. I
518420.0530 3.4756 -5.3411 3 528.0564441 89502 303732350 722250 a-Alanine, conf. I
518444.8635 2.0639 -5.3807 3 994.9420675 89502 303B2 5A7 B1 5A6 a-Alanine, conf. I
518444.8635 2.0639 -4.7688 3 994.9420675 89502 303B2 5A7 B1 6A6 a-Alanine, conf. I
518444.8635 2.0639 -4.7688 3 994.9420675 89502 303B2 6A7 B1 5A6 a-Alanine, conf. I
518444.8635 2.0639 -5.3807 3 994.9420675 89502 303B2 6A7 B1 6A6 a-Alanine, conf. I
518457.7645 0.2617 -5.1271 3 444.4672351 89502 303584414 574314 a-Alanine, conf. I
518457.7645 0.2617 -4.0154 3 444.4672351 89502 303584414 574315 a-Alanine, conf. I
518457.7645 0.2617 -4.0154 3 444.4672351 89502 303584415 574314 a-Alanine, conf. I
518457.7645 0.2617 -5.1271 3 444.4672351 89502 303584415 574315 a-Alanine, conf. I
518486.0859 1.5413 -5.3809 3 985.3081657 89502 303A9 9A0 A8 999 a-Alanine, conf. I
518486.0859 1.5413 -4.7954 3 985.3081657 89502 303A9 9A0 A81099 a-Alanine, conf. I
518486.0859 1.5413 -4.7954 3 985.3081657 89502 303A910A0 A8 999 a-Alanine, conf. I
518486.0859 1.5413 -5.3809 3 985.3081657 89502 303A910A0 A81099 a-Alanine, conf. I
518500.1824 0.8899 -5.2789 3 248.9797321 89502 303531043 52 944 a-Alanine, conf. I
518500.1825 0.8899 -5.2789 3 248.9797321 89502 303531143 52 844 a-Alanine, conf. I
518576.4632 2.5729 -5.1803 3 835.7133549 89502 303913160 903159 a-Alanine, conf. I
518577.6700 1.1177 -5.3829 3 443.0300423 89502 303701357 691257 a-Alanine, conf. I
518577.6700 1.1177 -5.3829 3 443.0300423 89502 303701457 691357 a-Alanine, conf. I
518704.6594 4.7929 -5.2464 3 865.2328555 89502 303923558 913557 a-Alanine, conf. I
518731.1043 3.2879 -5.3405 3 528.0604441 89502 303732450 722350 a-Alanine, conf. I
518766.8081 8.3666 -5.1598 3 823.8272543 89502 303903357 893356 a-Alanine, conf. I
518815.5403 1.8224 -5.0774 3 866.3483561 89502 303933163 923062 a-Alanine, conf. I
518842.7655 2.5860 -5.3731 3 573.4318453 89502 303752946 742846 a-Alanine, conf. I
518855.6593 1.4491 -5.3348 3 930.2744597 89502 303992376 982375 a-Alanine, conf. I
518855.6593 1.4491 -4.9171 3 930.2744597 89502 303992376 982475 a-Alanine, conf. I
518855.6593 1.4491 -4.9171 3 930.2744597 89502 303992476 982375 a-Alanine, conf. I
518855.6593 1.4491 -5.3348 3 930.2744597 89502 303992476 982475 a-Alanine, conf. I
518856.6991 1.4100 -5.3700 3 963.6393627 89502 303A41688 A31687 a-Alanine, conf. I
518856.6991 1.4100 -4.8480 3 963.6393627 89502 303A41688 A31787 a-Alanine, conf. I
518856.6991 1.4100 -4.8480 3 963.6393627 89502 303A41788 A31687 a-Alanine, conf. I
518856.6991 1.4100 -5.3700 3 963.6393627 89502 303A41788 A31787 a-Alanine, conf. I
518872.9095 3.3382 -5.3768 3 1005.8433699 89502 303B6 0B6 B5 0B5 a-Alanine, conf. I
518872.9095 3.3382 -4.7388 3 1005.8433699 89502 303B6 0B6 B5 1B5 a-Alanine, conf. I
518872.9095 3.3382 -4.7388 3 1005.8433699 89502 303B6 1B6 B5 0B5 a-Alanine, conf. I
518872.9095 3.3382 -5.3768 3 1005.8433699 89502 303B6 1B6 B5 1B5 a-Alanine, conf. I
518903.0995 1.4274 -4.9827 3 903.0646579 89502 303962769 952868 a-Alanine, conf. I
518903.3274 1.4274 -5.2971 3 903.0646579 89502 303962869 952868 a-Alanine, conf. I
518903.5695 1.4273 -5.2971 3 903.0646579 89502 303962769 952768 a-Alanine, conf. I
518903.7974 1.4273 -4.9827 3 903.0646579 89502 303962869 952768 a-Alanine, conf. I
518904.0744 3.4940 -5.4313 3 941.5600567 89502 303944352 934351 a-Alanine, conf. I
518904.0755 3.4940 -5.4313 3 941.5600567 89502 303944351 934350 a-Alanine, conf. I
518966.8619 0.7761 -5.4451 3 231.6688315 89502 30352 844 51 745 a-Alanine, conf. I
518966.8619 0.7761 -5.4451 3 231.6688315 89502 30352 944 51 645 a-Alanine, conf. I
518983.1068 0.3998 -5.0747 3 435.9081315 89502 3035251 1 5150 1 a-Alanine, conf. I
518983.1068 0.3998 -3.9118 3 435.9081315 89502 3035251 1 5150 2 a-Alanine, conf. I
518983.1068 0.3998 -3.9118 3 435.9081315 89502 3035251 2 5150 1 a-Alanine, conf. I
518983.1068 0.3998 -5.0747 3 435.9081315 89502 3035251 2 5150 2 a-Alanine, conf. I
519048.8903 4.4267 -5.3181 3 896.2944561 89502 303933856 923855 a-Alanine, conf. I
519074.3587 4.4637 -5.3180 3 896.2952561 89502 303933855 923854 a-Alanine, conf. I
519103.8006 3.6156 -5.3520 3 549.0231447 89502 303742649 732549 a-Alanine, conf. I
519105.1216 0.2740 -5.1375 3 448.4221357 89502 303594316 584216 a-Alanine, conf. I
519105.1216 0.2740 -4.0360 3 448.4221357 89502 303594316 584217 a-Alanine, conf. I
519105.1216 0.2740 -4.0360 3 448.4221357 89502 303594317 584216 a-Alanine, conf. I
519105.1216 0.2740 -5.1375 3 448.4221357 89502 303594317 584217 a-Alanine, conf. I
519134.2555 0.5376 -4.5187 3 535.2783435 89502 303723043 712942 a-Alanine, conf. I
519270.7109 0.5056 -5.3152 3 535.2783435 89502 303723042 712942 a-Alanine, conf. I
519293.1585 1.4454 -4.6144 3 545.2272441 89502 303732944 722845 a-Alanine, conf. I
519368.6598 1.6790 -5.3455 3 475.7746429 89502 303711754 701654 a-Alanine, conf. I
519368.6619 1.6790 -5.3455 3 475.7746429 89502 303711854 701754 a-Alanine, conf. I
519379.8819 1.4139 -5.3824 3 979.8981645 89502 303A71295 A61294 a-Alanine, conf. I
519379.8819 1.4139 -4.8208 3 979.8981645 89502 303A71295 A61394 a-Alanine, conf. I
519379.8819 1.4139 -4.8208 3 979.8981645 89502 303A71395 A61294 a-Alanine, conf. I
519379.8819 1.4139 -5.3824 3 979.8981645 89502 303A71395 A61394 a-Alanine, conf. I
519449.9150 0.9031 -4.9696 3 373.1937369 89502 303612339 602040 a-Alanine, conf. I
519459.7472 2.2796 -5.3858 3 1001.0592681 89502 303B3 4A9 B2 4A8 a-Alanine, conf. I
519459.7472 2.2796 -4.7681 3 1001.0592681 89502 303B3 4A9 B2 5A8 a-Alanine, conf. I
519459.7472 2.2796 -4.7681 3 1001.0592681 89502 303B3 5A9 B2 4A8 a-Alanine, conf. I
519459.7472 2.2796 -5.3858 3 1001.0592681 89502 303B3 5A9 B2 5A8 a-Alanine, conf. I
519464.2358 1.4441 -5.3616 3 953.2673615 89502 303A21983 A11982 a-Alanine, conf. I
519464.2358 1.4441 -4.8769 3 953.2673615 89502 303A21983 A12082 a-Alanine, conf. I
519464.2358 1.4441 -4.8769 3 953.2673615 89502 303A22083 A11982 a-Alanine, conf. I
519464.2358 1.4441 -5.3616 3 953.2673615 89502 303A22083 A12082 a-Alanine, conf. I
519557.8787 8.5858 -5.2019 3 844.3068549 89502 303913457 903456 a-Alanine, conf. I
519596.2137 0.4944 -5.3146 3 535.2629435 89502 303723043 712943 a-Alanine, conf. I
519609.4326 1.6442 -5.3876 3 992.3846663 89502 303B0 8A2 A9 8A1 a-Alanine, conf. I
519609.4326 1.6442 -4.7949 3 992.3846663 89502 303B0 8A2 A9 9A1 a-Alanine, conf. I
519609.4326 1.6442 -4.7949 3 992.3846663 89502 303B0 9A2 A9 8A1 a-Alanine, conf. I
519609.4326 1.6442 -5.3876 3 992.3846663 89502 303B0 9A2 A9 9A1 a-Alanine, conf. I
519612.4633 2.7088 -5.2220 3 857.2763555 89502 303923360 913359 a-Alanine, conf. I
519666.0101 9.9767 -4.9316 3 423.1272393 89502 303652342 642243 a-Alanine, conf. I
519699.5715 0.3494 -5.0823 3 437.5889321 89502 3035350 3 5249 3 a-Alanine, conf. I
519699.5715 0.3494 -3.9259 3 437.5889321 89502 3035350 3 5249 4 a-Alanine, conf. I
519699.5715 0.3494 -3.9259 3 437.5889321 89502 3035350 4 5249 3 a-Alanine, conf. I
519699.5715 0.3494 -5.0823 3 437.5889321 89502 3035350 4 5249 4 a-Alanine, conf. I
519730.7094 0.2896 -5.1484 3 452.7380363 89502 303604218 594118 a-Alanine, conf. I
519730.7094 0.2896 -4.0578 3 452.7380363 89502 303604218 594119 a-Alanine, conf. I
519730.7094 0.2896 -4.0578 3 452.7380363 89502 303604219 594118 a-Alanine, conf. I
519730.7094 0.2896 -5.1484 3 452.7380363 89502 303604219 594119 a-Alanine, conf. I
519732.6691 0.5169 -4.5178 3 535.2629435 89502 303723042 712943 a-Alanine, conf. I
519846.6333 3.6676 -5.4118 3 935.5103567 89502 303944253 934252 a-Alanine, conf. I
519846.6443 3.6677 -5.4118 3 935.5103567 89502 303944252 934251 a-Alanine, conf. I
519856.1095 1.4440 -4.9666 3 914.6095585 89502 303972671 962770 a-Alanine, conf. I
519856.1202 1.4440 -5.3138 3 914.6095585 89502 303972771 962770 a-Alanine, conf. I
519856.1323 1.4440 -5.3138 3 914.6095585 89502 303972671 962670 a-Alanine, conf. I
519856.1431 1.4440 -4.9666 3 914.6095585 89502 303972771 962670 a-Alanine, conf. I
520029.4002 1.0490 -5.4006 3 437.5136423 89502 303701258 691158 a-Alanine, conf. I
520029.4002 1.0490 -5.4006 3 437.5136423 89502 303701358 691258 a-Alanine, conf. I
520045.1067 4.0616 -5.2318 3 861.1655555 89502 303923459 913458 a-Alanine, conf. I
520090.4145 1.4610 -5.3484 3 940.7131603 89502 303A02278 992277 a-Alanine, conf. I
520090.4145 1.4610 -4.9108 3 940.7131603 89502 303A02278 992377 a-Alanine, conf. I
520090.4145 1.4610 -4.9108 3 940.7131603 89502 303A02378 992277 a-Alanine, conf. I
520090.4145 1.4610 -5.3484 3 940.7131603 89502 303A02378 992377 a-Alanine, conf. I
520115.7005 1.4111 -5.3799 3 972.3717633 89502 303A51590 A41589 a-Alanine, conf. I
520115.7005 1.4111 -4.8467 3 972.3717633 89502 303A51590 A41689 a-Alanine, conf. I
520115.7005 1.4111 -4.8467 3 972.3717633 89502 303A51690 A41589 a-Alanine, conf. I
520115.7005 1.4111 -5.3799 3 972.3717633 89502 303A51690 A41689 a-Alanine, conf. I
520230.5349 2.8380 -5.3906 3 587.8531459 89502 303762947 752847 a-Alanine, conf. I
520296.8095 2.3435 -5.3374 3 502.3999435 89502 303722052 711952 a-Alanine, conf. I
520298.1232 2.3427 -5.3374 3 502.3999435 89502 303722152 712052 a-Alanine, conf. I
520329.2185 0.3072 -5.1596 3 457.4188369 89502 303614120 604020 a-Alanine, conf. I
520329.2185 0.3072 -4.0809 3 457.4188369 89502 303614120 604021 a-Alanine, conf. I
520329.2185 0.3072 -4.0809 3 457.4188369 89502 303614121 604020 a-Alanine, conf. I
520329.2185 0.3072 -5.1596 3 457.4188369 89502 303614121 604021 a-Alanine, conf. I
520410.2696 0.3100 -5.0905 3 439.6163327 89502 3035449 5 5348 5 a-Alanine, conf. I
520410.2696 0.3100 -3.9409 3 439.6163327 89502 3035449 5 5348 6 a-Alanine, conf. I
520410.2696 0.3100 -3.9409 3 439.6163327 89502 3035449 6 5348 5 a-Alanine, conf. I
520410.2696 0.3100 -5.0905 3 439.6163327 89502 3035449 6 5348 6 a-Alanine, conf. I
520442.8913 2.5243 -5.3904 3 1006.9410687 89502 303B4 3B1 B3 3B0 a-Alanine, conf. I
520442.8913 2.5243 -4.7672 3 1006.9410687 89502 303B4 3B1 B3 4B0 a-Alanine, conf. I
520442.8913 2.5243 -4.7672 3 1006.9410687 89502 303B4 4B1 B3 3B0 a-Alanine, conf. I
520442.8913 2.5243 -5.3904 3 1006.9410687 89502 303B4 4B1 B3 4B0 a-Alanine, conf. I
520570.6575 1.4513 -5.3905 3 987.6922651 89502 303A81197 A71196 a-Alanine, conf. I
520570.6575 1.4513 -4.8202 3 987.6922651 89502 303A81197 A71296 a-Alanine, conf. I
520570.6575 1.4513 -4.8202 3 987.6922651 89502 303A81297 A71196 a-Alanine, conf. I
520570.6575 1.4513 -5.3905 3 987.6922651 89502 303A81297 A71296 a-Alanine, conf. I
520641.2640 5.4292 -4.7148 3 541.9126441 89502 303732845 722746 a-Alanine, conf. I
520705.1909 1.7754 -5.3940 3 999.2325669 89502 303B1 7A4 B0 7A3 a-Alanine, conf. I
520705.1909 1.7754 -4.7944 3 999.2325669 89502 303B1 7A4 B0 8A3 a-Alanine, conf. I
520705.1909 1.7754 -4.7944 3 999.2325669 89502 303B1 8A4 B0 7A3 a-Alanine, conf. I
520705.1909 1.7754 -5.3940 3 999.2325669 89502 303B1 8A4 B0 8A3 a-Alanine, conf. I
520744.8853 1.4459 -5.3730 3 962.7209621 89502 303A31885 A21884 a-Alanine, conf. I
520744.8853 1.4459 -4.8743 3 962.7209621 89502 303A31885 A21984 a-Alanine, conf. I
520744.8853 1.4459 -4.8743 3 962.7209621 89502 303A31985 A21884 a-Alanine, conf. I
520744.8853 1.4459 -5.3730 3 962.7209621 89502 303A31985 A21984 a-Alanine, conf. I
520867.7761 4.7699 -5.3001 3 891.4097561 89502 303933757 923756 a-Alanine, conf. I
520893.8843 0.3259 -5.1713 3 462.4686375 89502 303624022 613922 a-Alanine, conf. I
520893.8843 0.3259 -4.1055 3 462.4686375 89502 303624022 613923 a-Alanine, conf. I
520893.8843 0.3259 -4.1055 3 462.4686375 89502 303624023 613922 a-Alanine, conf. I
520893.8843 0.3259 -5.1713 3 462.4686375 89502 303624023 613923 a-Alanine, conf. I
520908.1653 3.8655 -5.3927 3 929.6785567 89502 303944154 934153 a-Alanine, conf. I
520908.2703 3.8657 -5.3927 3 929.6785567 89502 303944153 934152 a-Alanine, conf. I
520928.1074 1.4596 -4.9543 3 925.8665591 89502 303982573 972672 a-Alanine, conf. I
520928.1078 1.4596 -5.3296 3 925.8665591 89502 303982673 972672 a-Alanine, conf. I
520928.1083 1.4596 -5.3296 3 925.8665591 89502 303982573 972572 a-Alanine, conf. I
520928.1088 1.4596 -4.9543 3 925.8665591 89502 303982673 972572 a-Alanine, conf. I
520934.9024 3.0811 -4.9188 3 370.3211369 89502 303612240 601941 a-Alanine, conf. I
521030.0499 4.9873 -5.2999 3 891.4157561 89502 303933756 923755 a-Alanine, conf. I
521054.4099 7.2176 -5.2423 3 865.3408555 89502 303923557 913556 a-Alanine, conf. I
521113.9993 0.2823 -5.0990 3 441.9917333 89502 3035548 7 5447 7 a-Alanine, conf. I
521113.9993 0.2823 -3.9568 3 441.9917333 89502 3035548 7 5447 8 a-Alanine, conf. I
521113.9993 0.2823 -3.9568 3 441.9917333 89502 3035548 8 5447 7 a-Alanine, conf. I
521113.9993 0.2823 -5.0990 3 441.9917333 89502 3035548 8 5447 8 a-Alanine, conf. I
521175.9737 0.4876 -4.4468 3 525.8935429 89502 303713141 703040 a-Alanine, conf. I
521184.1345 0.4889 -5.2974 3 525.8935429 89502 303713140 703040 a-Alanine, conf. I
521207.1242 0.4926 -5.2974 3 525.8924429 89502 303713141 703041 a-Alanine, conf. I
521213.8486 2.4267 -5.2083 3 853.0112555 89502 303923161 913160 a-Alanine, conf. I
521215.2851 0.4942 -4.4467 3 525.8924429 89502 303713140 703041 a-Alanine, conf. I
521243.7803 1.5791 -5.0870 3 883.6541567 89502 303943064 933163 a-Alanine, conf. I
521272.8358 1.5135 -5.3551 3 470.7898429 89502 303711655 701555 a-Alanine, conf. I
521272.8360 1.5135 -5.3551 3 470.7898429 89502 303711755 701655 a-Alanine, conf. I
521349.7536 1.4704 -5.3614 3 950.9093609 89502 303A12180 A02179 a-Alanine, conf. I
521349.7536 1.4704 -4.9058 3 950.9093609 89502 303A12180 A02279 a-Alanine, conf. I
521349.7536 1.4704 -4.9058 3 950.9093609 89502 303A12280 A02179 a-Alanine, conf. I
521349.7536 1.4704 -5.3614 3 950.9093609 89502 303A12280 A02279 a-Alanine, conf. I
521359.7048 1.4163 -5.3893 3 980.8798639 89502 303A61492 A51491 a-Alanine, conf. I
521359.7048 1.4163 -4.8457 3 980.8798639 89502 303A61492 A51591 a-Alanine, conf. I
521359.7048 1.4163 -4.8457 3 980.8798639 89502 303A61592 A51491 a-Alanine, conf. I
521359.7048 1.4163 -5.3893 3 980.8798639 89502 303A61592 A51591 a-Alanine, conf. I
521393.3606 2.7974 -5.3947 3 1012.5852693 89502 303B5 2B3 B4 2B2 a-Alanine, conf. I
521393.3606 2.7974 -4.7663 3 1012.5852693 89502 303B5 2B3 B4 3B2 a-Alanine, conf. I
521393.3606 2.7974 -4.7663 3 1012.5852693 89502 303B5 3B3 B4 2B2 a-Alanine, conf. I
521393.3606 2.7974 -5.3947 3 1012.5852693 89502 303B5 3B3 B4 3B2 a-Alanine, conf. I
521394.6594 15.7782 -5.0656 3 748.4434519 89502 303863156 853055 a-Alanine, conf. I
521398.7824 1.0132 -5.4212 3 431.8466423 89502 303701159 691059 a-Alanine, conf. I
521398.7824 1.0132 -5.4212 3 431.8466423 89502 303701259 691159 a-Alanine, conf. I
521416.0061 0.3456 -5.1834 3 467.8926381 89502 303633924 623824 a-Alanine, conf. I
521416.0061 0.3456 -4.1317 3 467.8926381 89502 303633924 623825 a-Alanine, conf. I
521416.0061 0.3456 -4.1317 3 467.8926381 89502 303633925 623824 a-Alanine, conf. I
521416.0061 0.3456 -5.1834 3 467.8926381 89502 303633925 623825 a-Alanine, conf. I
521462.5410 1.5393 -5.2412 3 870.6202561 89502 303933262 923261 a-Alanine, conf. I
521514.5754 1.3819 -5.1072 3 279.5920333 89502 303551342 541243 a-Alanine, conf. I
521514.6365 1.3819 -5.1072 3 279.5920333 89502 303551442 541143 a-Alanine, conf. I
521542.7259 2.1512 -4.9927 3 310.6446345 89502 303571641 561542 a-Alanine, conf. I
521559.9740 2.1456 -4.9927 3 310.6446345 89502 303571741 561442 a-Alanine, conf. I
521655.0114 1.4010 -5.2633 3 883.6541567 89502 303943164 933163 a-Alanine, conf. I
521683.9210 2.3200 -5.4063 3 602.5372465 89502 303772948 762848 a-Alanine, conf. I
521737.9666 1.5081 -5.3983 3 995.2609657 89502 303A91099 A81098 a-Alanine, conf. I
521737.9666 1.5081 -4.8198 3 995.2609657 89502 303A91099 A81198 a-Alanine, conf. I
521737.9666 1.5081 -4.8198 3 995.2609657 89502 303A91199 A81098 a-Alanine, conf. I
521737.9666 1.5081 -5.3983 3 995.2609657 89502 303A91199 A81198 a-Alanine, conf. I
521772.1107 1.9363 -5.4000 3 1005.8501675 89502 303B2 6A6 B1 6A5 a-Alanine, conf. I
521772.1107 1.9363 -4.7939 3 1005.8501675 89502 303B2 6A6 B1 7A5 a-Alanine, conf. I
521772.1107 1.9363 -4.7939 3 1005.8501675 89502 303B2 7A6 B1 6A5 a-Alanine, conf. I
521772.1107 1.9363 -5.4000 3 1005.8501675 89502 303B2 7A6 B1 7A5 a-Alanine, conf. I
521809.2660 0.2663 -5.1080 3 444.7167339 89502 3035647 9 5546 9 a-Alanine, conf. I
521809.2660 0.2663 -3.9736 3 444.7167339 89502 3035647 9 554610 a-Alanine, conf. I
521809.2660 0.2663 -3.9736 3 444.7167339 89502 303564710 5546 9 a-Alanine, conf. I
521809.2660 0.2663 -5.1080 3 444.7167339 89502 303564710 554610 a-Alanine, conf. I
521845.2329 1.4305 -5.0462 3 896.2658573 89502 303952966 943065 a-Alanine, conf. I
521877.4793 1.4239 -5.2842 3 896.2658573 89502 303953066 943065 a-Alanine, conf. I
521884.2571 0.3662 -5.1960 3 473.6968387 89502 303643826 633726 a-Alanine, conf. I
521884.2571 0.3662 -4.1597 3 473.6968387 89502 303643826 633727 a-Alanine, conf. I
521884.2571 0.3662 -4.1597 3 473.6968387 89502 303643827 633726 a-Alanine, conf. I
521884.2571 0.3662 -5.1960 3 473.6968387 89502 303643827 633727 a-Alanine, conf. I
521906.9945 1.4198 -5.2841 3 896.2638573 89502 303952966 942965 a-Alanine, conf. I
521911.3111 3.3514 -5.1428 3 821.1251543 89502 303903258 893257 a-Alanine, conf. I
521939.2409 1.4159 -5.0460 3 896.2638573 89502 303953066 942965 a-Alanine, conf. I
521963.9995 4.2238 -5.3545 3 545.3490447 89502 303742450 732350 a-Alanine, conf. I
521989.0426 1.3897 -5.2626 3 883.6293567 89502 303943064 933063 a-Alanine, conf. I
522020.9668 1.4459 -5.3839 3 971.9467627 89502 303A41787 A31786 a-Alanine, conf. I
522020.9668 1.4459 -4.8723 3 971.9467627 89502 303A41787 A31886 a-Alanine, conf. I
522020.9668 1.4459 -4.8723 3 971.9467627 89502 303A41887 A31786 a-Alanine, conf. I
522020.9668 1.4459 -5.3839 3 971.9467627 89502 303A41887 A31886 a-Alanine, conf. I
522079.6449 1.4744 -5.3446 3 936.8530597 89502 303992475 982474 a-Alanine, conf. I
522079.6449 1.4744 -4.9448 3 936.8530597 89502 303992475 982574 a-Alanine, conf. I
522079.6449 1.4744 -4.9448 3 936.8530597 89502 303992575 982474 a-Alanine, conf. I
522079.6449 1.4744 -5.3446 3 936.8530597 89502 303992575 982574 a-Alanine, conf. I
522118.0705 4.0966 -5.3740 3 924.0748567 89502 303944055 934054 a-Alanine, conf. I
522118.9804 4.0981 -5.3740 3 924.0749567 89502 303944054 934053 a-Alanine, conf. I
522155.6779 0.4885 -4.3890 3 517.0708423 89502 303703239 693138 a-Alanine, conf. I
522156.0576 0.4886 -5.2811 3 517.0708423 89502 303703238 693138 a-Alanine, conf. I
522157.2794 0.4889 -5.2811 3 517.0708423 89502 303703239 693139 a-Alanine, conf. I
522157.6590 0.4890 -4.3890 3 517.0708423 89502 303703238 693139 a-Alanine, conf. I
522192.8316 4.3014 -5.3576 3 317.4633339 89502 303562334 552035 a-Alanine, conf. I
522227.0596 0.7251 -5.3476 3 559.0005447 89502 303742946 732846 a-Alanine, conf. I
522257.9326 2.9819 -5.3429 3 524.0206441 89502 303732251 722151 a-Alanine, conf. I
522283.6655 0.3877 -5.2090 3 479.8887393 89502 303653728 643628 a-Alanine, conf. I
522283.6655 0.3877 -4.1898 3 479.8887393 89502 303653728 643629 a-Alanine, conf. I
522283.6655 0.3877 -4.1898 3 479.8887393 89502 303653729 643628 a-Alanine, conf. I
522283.6655 0.3877 -5.2090 3 479.8887393 89502 303653729 643629 a-Alanine, conf. I
522287.3148 3.2267 -5.5116 3 978.1763573 89502 303954649 944648 a-Alanine, conf. I
522287.3148 3.2267 -5.5116 3 978.1763573 89502 303954650 944649 a-Alanine, conf. I
522303.3892 2.9527 -5.3428 3 524.0211441 89502 303732351 722251 a-Alanine, conf. I
522308.7470 6.2222 -5.4203 3 615.1733471 89502 303782850 772750 a-Alanine, conf. I
522310.2773 3.0984 -5.3986 3 1017.9894699 89502 303B6 1B5 B5 1B4 a-Alanine, conf. I
522310.2773 3.0984 -4.7652 3 1017.9894699 89502 303B6 1B5 B5 2B4 a-Alanine, conf. I
522310.2773 3.0984 -4.7652 3 1017.9894699 89502 303B6 2B5 B5 1B4 a-Alanine, conf. I
522310.2773 3.0984 -5.3986 3 1017.9894699 89502 303B6 2B5 B5 2B4 a-Alanine, conf. I
522400.2737 1.5353 -5.0849 3 883.6293567 89502 303943164 933063 a-Alanine, conf. I
522440.1287 1.4484 -5.0191 3 908.4898579 89502 303962868 952967 a-Alanine, conf. I
522442.1847 1.4481 -5.3034 3 908.4898579 89502 303962968 952967 a-Alanine, conf. I
522444.2426 1.4478 -5.3034 3 908.4897579 89502 303962868 952867 a-Alanine, conf. I
522446.2986 1.4475 -5.0191 3 908.4897579 89502 303962968 952867 a-Alanine, conf. I
522494.2111 0.2611 -5.1174 3 447.7933345 89502 303574611 564511 a-Alanine, conf. I
522494.2111 0.2611 -3.9913 3 447.7933345 89502 303574611 564512 a-Alanine, conf. I
522494.2111 0.2611 -3.9913 3 447.7933345 89502 303574612 564511 a-Alanine, conf. I
522494.2111 0.2611 -5.1174 3 447.7933345 89502 303574612 564512 a-Alanine, conf. I
522586.0014 1.4290 -5.3984 3 989.1636645 89502 303A71394 A61393 a-Alanine, conf. I
522586.0014 1.4290 -4.8450 3 989.1636645 89502 303A71394 A61493 a-Alanine, conf. I
522586.0014 1.4290 -4.8450 3 989.1636645 89502 303A71494 A61393 a-Alanine, conf. I
522586.0014 1.4290 -5.3984 3 989.1636645 89502 303A71494 A61493 a-Alanine, conf. I
522594.0563 0.4100 -5.2224 3 486.4772399 89502 303663630 653530 a-Alanine, conf. I
522594.0563 0.4100 -4.2223 3 486.4772399 89502 303663630 653531 a-Alanine, conf. I
522594.0563 0.4100 -4.2223 3 486.4772399 89502 303663631 653530 a-Alanine, conf. I
522594.0563 0.4100 -5.2224 3 486.4772399 89502 303663631 653531 a-Alanine, conf. I
522623.0974 1.4771 -5.3739 3 960.8685615 89502 303A22082 A12081 a-Alanine, conf. I
522623.0974 1.4771 -4.9019 3 960.8685615 89502 303A22082 A12181 a-Alanine, conf. I
522623.0974 1.4771 -4.9019 3 960.8685615 89502 303A22182 A12081 a-Alanine, conf. I
522623.0974 1.4771 -5.3739 3 960.8685615 89502 303A22182 A12181 a-Alanine, conf. I
522645.3502 0.4751 -4.3398 3 508.7486417 89502 303693337 683236 a-Alanine, conf. I
522645.3643 0.4751 -5.2656 3 508.7486417 89502 303693336 683236 a-Alanine, conf. I
522645.4149 0.4751 -5.2656 3 508.7486417 89502 303693337 683237 a-Alanine, conf. I
522645.4289 0.4751 -4.3398 3 508.7486417 89502 303693336 683237 a-Alanine, conf. I
522656.9374 8.2345 -5.4080 3 597.7393465 89502 303772750 762650 a-Alanine, conf. I
522685.0973 1.4995 -5.5063 3 270.8606315 89502 303522131 511834 a-Alanine, conf. I
522695.5018 1.0121 -5.4452 3 426.0317423 89502 303701060 69 960 a-Alanine, conf. I
522695.5018 1.0121 -5.4452 3 426.0317423 89502 303701160 691060 a-Alanine, conf. I
522747.2659 6.2360 -4.9277 3 381.6335375 89502 303622141 612042 a-Alanine, conf. I
522786.1813 2.1066 -5.3430 3 497.8426435 89502 303721953 711853 a-Alanine, conf. I
522786.3117 2.1065 -5.3430 3 497.8426435 89502 303722053 711953 a-Alanine, conf. I
522787.5614 0.4328 -5.2363 3 493.4732405 89502 303673532 663432 a-Alanine, conf. I
522787.5614 0.4328 -4.2577 3 493.4732405 89502 303673533 663432 a-Alanine, conf. I
522787.5614 0.4328 -5.2363 3 493.4732405 89502 303673533 663433 a-Alanine, conf. I
522787.5615 0.4328 -4.2577 3 493.4732405 89502 303673532 663433 a-Alanine, conf. I
522809.0431 2.1271 -5.4056 3 1012.2354681 89502 303B3 5A8 B2 5A7 a-Alanine, conf. I
522809.0431 2.1271 -4.7935 3 1012.2354681 89502 303B3 5A8 B2 6A7 a-Alanine, conf. I
522809.0431 2.1271 -4.7935 3 1012.2354681 89502 303B3 6A8 B2 5A7 a-Alanine, conf. I
522809.0431 2.1271 -5.4056 3 1012.2354681 89502 303B3 6A8 B2 6A7 a-Alanine, conf. I
522824.4193 0.4552 -4.2965 3 500.8910411 89502 303683435 673334 a-Alanine, conf. I
522824.4197 0.4552 -5.2506 3 500.8910411 89502 303683434 673334 a-Alanine, conf. I
522824.4214 0.4552 -5.2506 3 500.8910411 89502 303683435 673335 a-Alanine, conf. I
522824.4218 0.4552 -4.2965 3 500.8910411 89502 303683434 673335 a-Alanine, conf. I
522880.1583 1.5883 -5.4056 3 1002.6029663 89502 303B0 9A1 A9 9A0 a-Alanine, conf. I
522880.1583 1.5883 -4.8195 3 1002.6029663 89502 303B0 9A1 A910A0 a-Alanine, conf. I
522880.1583 1.5883 -4.8195 3 1002.6029663 89502 303B010A1 A9 9A0 a-Alanine, conf. I
522880.1583 1.5883 -5.4056 3 1002.6029663 89502 303B010A1 A910A0 a-Alanine, conf. I
522929.8799 5.0232 -5.2825 3 886.8195561 89502 303933658 923657 a-Alanine, conf. I
522963.3838 3.6348 -5.3529 3 545.3634447 89502 303742550 732450 a-Alanine, conf. I
523003.1893 9.5771 -4.8012 3 525.1130435 89502 303722745 712646 a-Alanine, conf. I
523009.7010 3.3643 -5.4909 3 971.5381573 89502 303954550 944549 a-Alanine, conf. I
523009.7010 3.3643 -5.4909 3 971.5381573 89502 303954551 944550 a-Alanine, conf. I
523033.5201 1.3689 -5.3663 3 465.6393429 89502 303711556 701456 a-Alanine, conf. I
523033.5201 1.3689 -5.3663 3 465.6393429 89502 303711656 701556 a-Alanine, conf. I
523166.5217 0.2646 -5.1272 3 451.2236351 89502 303584513 574413 a-Alanine, conf. I
523166.5217 0.2646 -4.0101 3 451.2236351 89502 303584513 574414 a-Alanine, conf. I
523166.5217 0.2646 -4.0101 3 451.2236351 89502 303584514 574413 a-Alanine, conf. I
523166.5217 0.2646 -5.1272 3 451.2236351 89502 303584514 574414 a-Alanine, conf. I
523178.5834 0.7087 -4.5532 3 548.8032441 89502 303733044 722943 a-Alanine, conf. I
523192.8135 3.4265 -5.4021 3 1023.1510705 89502 303B7 0B7 B6 0B6 a-Alanine, conf. I
523192.8135 3.4265 -4.7640 3 1023.1510705 89502 303B7 0B7 B6 1B6 a-Alanine, conf. I
523192.8135 3.4265 -4.7640 3 1023.1510705 89502 303B7 1B7 B6 0B6 a-Alanine, conf. I
523192.8135 3.4265 -5.4021 3 1023.1510705 89502 303B7 1B7 B6 1B6 a-Alanine, conf. I
523261.0203 1.4670 -4.9994 3 920.3734585 89502 303972770 962869 a-Alanine, conf. I
523261.1301 1.4670 -5.3212 3 920.3734585 89502 303972870 962869 a-Alanine, conf. I
523261.2483 1.4670 -5.3212 3 920.3734585 89502 303972770 962769 a-Alanine, conf. I
523261.3580 1.4670 -4.9994 3 920.3734585 89502 303972870 962769 a-Alanine, conf. I
523284.5550 1.4879 -5.3589 3 947.5815603 89502 303A02377 992376 a-Alanine, conf. I
523284.5550 1.4879 -4.9374 3 947.5815603 89502 303A02377 992476 a-Alanine, conf. I
523284.5550 1.4879 -4.9374 3 947.5815603 89502 303A02477 992376 a-Alanine, conf. I
523284.5550 1.4879 -5.3589 3 947.5815603 89502 303A02477 992476 a-Alanine, conf. I
523288.0932 1.4456 -5.3944 3 980.9465633 89502 303A51689 A41688 a-Alanine, conf. I
523288.0932 1.4456 -4.8708 3 980.9465633 89502 303A51689 A41788 a-Alanine, conf. I
523288.0932 1.4456 -4.8708 3 980.9465633 89502 303A51789 A41688 a-Alanine, conf. I
523288.0932 1.4456 -5.3944 3 980.9465633 89502 303A51789 A41788 a-Alanine, conf. I
523360.8326 1.0320 -5.2170 3 262.1345327 89502 303541143 531044 a-Alanine, conf. I
523360.8332 1.0320 -5.2170 3 262.1345327 89502 303541243 53 944 a-Alanine, conf. I
523377.0701 3.5946 -5.1588 3 888.0143567 89502 303943163 933262 a-Alanine, conf. I
523454.1599 0.5898 -5.3306 3 548.8032441 89502 303733043 722943 a-Alanine, conf. I
523517.7811 4.3735 -5.3557 3 918.7123567 89502 303943956 933955 a-Alanine, conf. I
523524.8814 4.3846 -5.3557 3 918.7125567 89502 303943955 933954 a-Alanine, conf. I
523664.2944 0.4417 -5.0764 3 443.8048315 89502 3035252 0 5151 0 a-Alanine, conf. I
523664.2944 0.4417 -3.9105 3 443.8048315 89502 3035252 0 5151 1 a-Alanine, conf. I
523664.2944 0.4417 -3.9105 3 443.8048315 89502 3035252 1 5151 0 a-Alanine, conf. I
523664.2944 0.4417 -5.0764 3 443.8048315 89502 3035252 1 5151 1 a-Alanine, conf. I
523668.3991 2.1674 -5.3645 3 569.6748453 89502 303752848 742748 a-Alanine, conf. I
523792.2485 1.4530 -5.4071 3 997.2228651 89502 303A81296 A71295 a-Alanine, conf. I
523792.2485 1.4530 -4.8445 3 997.2228651 89502 303A81296 A71395 a-Alanine, conf. I
523792.2485 1.4530 -4.8445 3 997.2228651 89502 303A81396 A71295 a-Alanine, conf. I
523792.2485 1.4530 -5.4071 3 997.2228651 89502 303A81396 A71395 a-Alanine, conf. I
523806.0251 3.5146 -5.4706 3 965.1004573 89502 303954452 944451 a-Alanine, conf. I
523806.0254 3.5146 -5.4706 3 965.1004573 89502 303954451 944450 a-Alanine, conf. I
523808.7724 6.0768 -5.2811 3 886.8558561 89502 303933657 923656 a-Alanine, conf. I
523814.9253 2.3477 -5.4108 3 1018.3865687 89502 303B4 4B0 B3 4A9 a-Alanine, conf. I
523814.9253 2.3477 -4.7929 3 1018.3865687 89502 303B4 4B0 B3 5A9 a-Alanine, conf. I
523814.9253 2.3477 -4.7929 3 1018.3865687 89502 303B4 5B0 B3 4A9 a-Alanine, conf. I
523814.9253 2.3477 -5.4108 3 1018.3865687 89502 303B4 5B0 B3 5A9 a-Alanine, conf. I
523823.3135 0.2745 -5.1374 3 455.0101357 89502 303594415 584315 a-Alanine, conf. I
523823.3135 0.2745 -4.0300 3 455.0101357 89502 303594415 584316 a-Alanine, conf. I
523823.3135 0.2745 -4.0300 3 455.0101357 89502 303594416 584315 a-Alanine, conf. I
523823.3135 0.2745 -5.1374 3 455.0101357 89502 303594416 584316 a-Alanine, conf. I
523902.3285 1.4809 -5.3859 3 970.5947621 89502 303A31984 A21983 a-Alanine, conf. I
523902.3285 1.4809 -4.8990 3 970.5947621 89502 303A31984 A22083 a-Alanine, conf. I
523902.3285 1.4809 -4.8990 3 970.5947621 89502 303A32084 A21983 a-Alanine, conf. I
523902.3285 1.4809 -5.3859 3 970.5947621 89502 303A32084 A22083 a-Alanine, conf. I
523927.6165 1.0447 -5.4734 3 420.0712423 89502 30370 961 69 861 a-Alanine, conf. I
523927.6165 1.0447 -5.4734 3 420.0712423 89502 303701061 69 961 a-Alanine, conf. I
523991.5428 12.2310 -4.9028 3 650.2049483 89502 303803051 792950 a-Alanine, conf. I
523994.8406 3.3749 -5.3657 3 566.3385453 89502 303752749 742649 a-Alanine, conf. I
523994.9240 0.9220 -5.4208 3 617.4625471 89502 303782949 772849 a-Alanine, conf. I
523995.7481 1.6951 -5.4125 3 1009.7169669 89502 303B1 8A3 B0 8A2 a-Alanine, conf. I
523995.7481 1.6951 -4.8192 3 1009.7169669 89502 303B1 8A3 B0 9A2 a-Alanine, conf. I
523995.7481 1.6951 -4.8192 3 1009.7169669 89502 303B1 9A3 B0 8A2 a-Alanine, conf. I
523995.7481 1.6951 -5.4125 3 1009.7169669 89502 303B1 9A3 B0 9A2 a-Alanine, conf. I
524076.4850 0.5128 -5.3296 3 548.7733441 89502 303733044 722944 a-Alanine, conf. I
524138.7648 2.0759 -5.2356 3 870.3970561 89502 303933162 923161 a-Alanine, conf. I
524142.0089 18.7840 -5.3971 3 931.6539579 89502 303963363 953462 a-Alanine, conf. I
524208.6459 0.8284 -5.3604 3 244.6488321 89502 30353 944 52 845 a-Alanine, conf. I
524208.6459 0.8284 -5.3604 3 244.6488321 89502 303531044 52 745 a-Alanine, conf. I
524239.8060 5.4597 -5.3709 3 562.7599453 89502 303752550 742450 a-Alanine, conf. I
524244.6685 1.4836 -4.9847 3 931.9501591 89502 303982672 972771 a-Alanine, conf. I
524244.6735 1.4836 -5.3380 3 931.9501591 89502 303982772 972771 a-Alanine, conf. I
524244.6792 1.4836 -5.3380 3 931.9501591 89502 303982672 972671 a-Alanine, conf. I
524244.6842 1.4836 -4.9847 3 931.9501591 89502 303982772 972671 a-Alanine, conf. I
524322.2535 2.5079 -4.9683 3 324.4905351 89502 303581741 571642 a-Alanine, conf. I
524352.0614 0.5735 -4.5515 3 548.7733441 89502 303733043 722944 a-Alanine, conf. I
524382.7867 0.3850 -5.0839 3 445.3249321 89502 3035351 2 5250 2 a-Alanine, conf. I
524382.7867 0.3850 -3.9241 3 445.3249321 89502 3035351 2 5250 3 a-Alanine, conf. I
524382.7867 0.3850 -3.9241 3 445.3249321 89502 3035351 3 5250 2 a-Alanine, conf. I
524382.7867 0.3850 -5.0839 3 445.3249321 89502 3035351 3 5250 3 a-Alanine, conf. I
524394.7643 2.4840 -4.9682 3 324.4904351 89502 303581841 571542 a-Alanine, conf. I
524417.9046 7.2333 -5.3901 3 580.2466459 89502 303762650 752550 a-Alanine, conf. I
524460.9776 0.2887 -5.1481 3 459.1557363 89502 303604317 594217 a-Alanine, conf. I
524460.9776 0.2887 -4.0510 3 459.1557363 89502 303604317 594218 a-Alanine, conf. I
524460.9776 0.2887 -4.0510 3 459.1557363 89502 303604318 594217 a-Alanine, conf. I
524460.9776 0.2887 -5.1481 3 459.1557363 89502 303604318 594218 a-Alanine, conf. I
524524.6204 1.4995 -5.3727 3 958.0614609 89502 303A12279 A02278 a-Alanine, conf. I
524524.6204 1.4995 -4.9317 3 958.0614609 89502 303A12279 A02378 a-Alanine, conf. I
524524.6204 1.4995 -4.9317 3 958.0614609 89502 303A12379 A02278 a-Alanine, conf. I
524524.6204 1.4995 -5.3727 3 958.0614609 89502 303A12379 A02378 a-Alanine, conf. I
524541.8271 2.3465 -5.2448 3 874.6087561 89502 303933361 923360 a-Alanine, conf. I
524542.6220 1.4471 -5.4044 3 989.7209639 89502 303A61591 A51590 a-Alanine, conf. I
524542.6220 1.4471 -4.8698 3 989.7209639 89502 303A61591 A51690 a-Alanine, conf. I
524542.6220 1.4471 -4.8698 3 989.7209639 89502 303A61691 A51590 a-Alanine, conf. I
524542.6220 1.4471 -5.4044 3 989.7209639 89502 303A61691 A51690 a-Alanine, conf. I
524628.6598 11.4032 -4.9294 3 450.7671405 89502 303672443 662344 a-Alanine, conf. I
524672.7738 1.2472 -5.3794 3 460.3279429 89502 303711457 701357 a-Alanine, conf. I
524672.7738 1.2472 -5.3794 3 460.3279429 89502 303711557 701457 a-Alanine, conf. I
524689.6314 3.6807 -5.4508 3 958.8688573 89502 303954353 944352 a-Alanine, conf. I
524689.6338 3.6807 -5.4508 3 958.8688573 89502 303954352 944351 a-Alanine, conf. I
524788.7690 2.5976 -5.4157 3 1024.3011693 89502 303B5 3B2 B4 3B1 a-Alanine, conf. I
524788.7690 2.5976 -4.7923 3 1024.3011693 89502 303B5 3B2 B4 4B1 a-Alanine, conf. I
524788.7690 2.5976 -4.7923 3 1024.3011693 89502 303B5 4B2 B4 3B1 a-Alanine, conf. I
524788.7690 2.5976 -5.4157 3 1024.3011693 89502 303B5 4B2 B4 4B1 a-Alanine, conf. I
524860.0499 4.8063 -5.2661 3 882.5349561 89502 303933559 923558 a-Alanine, conf. I
524976.3980 1.4928 -5.4153 3 1005.0566657 89502 303A91198 A81197 a-Alanine, conf. I
524976.3980 1.4928 -4.8442 3 1005.0566657 89502 303A91198 A81297 a-Alanine, conf. I
524976.3980 1.4928 -4.8442 3 1005.0566657 89502 303A91298 A81197 a-Alanine, conf. I
524976.3980 1.4928 -5.4153 3 1005.0566657 89502 303A91298 A81297 a-Alanine, conf. I
525025.5779 1.8973 -5.3498 3 493.0989435 89502 303721854 711754 a-Alanine, conf. I
525025.5893 1.8973 -5.3498 3 493.0989435 89502 303721954 711854 a-Alanine, conf. I
525074.9769 0.3055 -5.1592 3 463.6637369 89502 303614219 604119 a-Alanine, conf. I
525074.9769 0.3055 -4.0733 3 463.6637369 89502 303614219 604120 a-Alanine, conf. I
525074.9769 0.3055 -4.0733 3 463.6637369 89502 303614220 604119 a-Alanine, conf. I
525074.9769 0.3055 -5.1592 3 463.6637369 89502 303614220 604120 a-Alanine, conf. I
525083.3896 1.8306 -5.4190 3 1016.6014675 89502 303B2 7A5 B1 7A4 a-Alanine, conf. I
525083.3896 1.8306 -4.8190 3 1016.6014675 89502 303B2 7A5 B1 8A4 a-Alanine, conf. I
525083.3896 1.8306 -4.8190 3 1016.6014675 89502 303B2 8A5 B1 7A4 a-Alanine, conf. I
525083.3896 1.8306 -5.4190 3 1016.6014675 89502 303B2 8A5 B1 8A4 a-Alanine, conf. I
525096.0020 0.3390 -5.0918 3 447.1908327 89502 3035450 4 5349 4 a-Alanine, conf. I
525096.0020 0.3390 -3.9386 3 447.1908327 89502 3035450 4 5349 5 a-Alanine, conf. I
525096.0020 0.3390 -3.9386 3 447.1908327 89502 3035450 5 5349 4 a-Alanine, conf. I
525096.0020 0.3390 -5.0918 3 447.1908327 89502 3035450 5 5349 5 a-Alanine, conf. I
525101.9139 1.1072 -5.5068 3 413.9668423 89502 30370 862 69 762 a-Alanine, conf. I
525101.9139 1.1072 -5.5068 3 413.9668423 89502 30370 962 69 862 a-Alanine, conf. I
525161.6208 4.7054 -5.3376 3 913.6080567 89502 303943857 933856 a-Alanine, conf. I
525181.0602 1.4823 -5.3975 3 980.0910627 89502 303A41886 A31885 a-Alanine, conf. I
525181.0602 1.4823 -4.8968 3 980.0910627 89502 303A41886 A31985 a-Alanine, conf. I
525181.0602 1.4823 -4.8968 3 980.0910627 89502 303A41986 A31885 a-Alanine, conf. I
525181.0602 1.4823 -5.3975 3 980.0910627 89502 303A41986 A31985 a-Alanine, conf. I
525210.8655 4.7772 -5.3375 3 913.6097567 89502 303943856 933855 a-Alanine, conf. I
525335.9917 2.4796 -4.6596 3 559.0005447 89502 303742945 732846 a-Alanine, conf. I
525336.4417 1.4992 -4.9735 3 943.2428597 89502 303992574 982673 a-Alanine, conf. I
525336.4418 1.4992 -5.3539 3 943.2428597 89502 303992674 982673 a-Alanine, conf. I
525336.4421 1.4992 -5.3539 3 943.2428597 89502 303992574 982573 a-Alanine, conf. I
525336.4423 1.4992 -4.9735 3 943.2428597 89502 303992674 982573 a-Alanine, conf. I
525401.4637 2.6472 -5.3462 3 519.7552441 89502 303732152 722052 a-Alanine, conf. I
525407.1445 2.6434 -5.3462 3 519.7552441 89502 303732252 722152 a-Alanine, conf. I
525604.1054 1.6180 -5.0672 3 293.1123339 89502 303561442 551343 a-Alanine, conf. I
525604.4424 1.6179 -5.0672 3 293.1123339 89502 303561542 551243 a-Alanine, conf. I
525604.8872 1.5138 -5.0954 3 901.0547573 89502 303953065 943164 a-Alanine, conf. I
525659.5720 0.3240 -5.1708 3 468.5381375 89502 303624121 614021 a-Alanine, conf. I
525659.5720 0.3240 -4.0970 3 468.5381375 89502 303624121 614022 a-Alanine, conf. I
525659.5720 0.3240 -4.0970 3 468.5381375 89502 303624122 614021 a-Alanine, conf. I
525659.5720 0.3240 -5.1708 3 468.5381375 89502 303624122 614022 a-Alanine, conf. I
525678.0447 3.8675 -5.4315 3 952.8505573 89502 303954254 944253 a-Alanine, conf. I
525678.0693 3.8676 -5.4315 3 952.8505573 89502 303954253 944252 a-Alanine, conf. I
525713.0092 3.7627 -5.2528 3 878.5123561 89502 303933460 923459 a-Alanine, conf. I
525727.2756 1.4895 -5.2657 3 888.0143567 89502 303943263 933262 a-Alanine, conf. I
525729.6498 2.8761 -5.4201 3 1029.9770699 89502 303B6 2B4 B5 2B3 a-Alanine, conf. I
525729.6498 2.8761 -4.7915 3 1029.9770699 89502 303B6 2B4 B5 3B3 a-Alanine, conf. I
525729.6498 2.8761 -4.7915 3 1029.9770699 89502 303B6 3B4 B5 2B3 a-Alanine, conf. I
525729.6498 2.8761 -5.4201 3 1029.9770699 89502 303B6 3B4 B5 3B3 a-Alanine, conf. I
525781.4811 1.4531 -5.4141 3 998.2705645 89502 303A71493 A61492 a-Alanine, conf. I
525781.4811 1.4531 -4.8692 3 998.2705645 89502 303A71493 A61592 a-Alanine, conf. I
525781.4811 1.4531 -4.8692 3 998.2705645 89502 303A71593 A61492 a-Alanine, conf. I
525781.4811 1.4531 -5.4141 3 998.2705645 89502 303A71593 A61592 a-Alanine, conf. I
525786.6165 1.5086 -5.3858 3 968.2996615 89502 303A22181 A12180 a-Alanine, conf. I
525786.6165 1.5086 -4.9273 3 968.2996615 89502 303A22181 A12280 a-Alanine, conf. I
525786.6165 1.5086 -4.9273 3 968.2996615 89502 303A22281 A12180 a-Alanine, conf. I
525786.6165 1.5086 -5.3858 3 968.2996615 89502 303A22281 A12280 a-Alanine, conf. I
525802.8875 0.3045 -5.1001 3 449.4038333 89502 3035549 6 5448 6 a-Alanine, conf. I
525802.8875 0.3045 -3.9540 3 449.4038333 89502 3035549 6 5448 7 a-Alanine, conf. I
525802.8875 0.3045 -3.9540 3 449.4038333 89502 3035549 7 5448 6 a-Alanine, conf. I
525802.8875 0.3045 -5.1001 3 449.4038333 89502 3035549 7 5448 7 a-Alanine, conf. I
525828.6469 1.4391 -5.2880 3 901.0547573 89502 303953165 943164 a-Alanine, conf. I
525831.4596 0.4991 -4.4754 3 539.1434435 89502 303723142 713041 a-Alanine, conf. I
525849.2794 0.5010 -5.3120 3 539.1434435 89502 303723141 713041 a-Alanine, conf. I
525897.4263 0.5069 -5.3119 3 539.1412435 89502 303723142 713042 a-Alanine, conf. I
525915.2461 0.5100 -4.4753 3 539.1412435 89502 303723141 713042 a-Alanine, conf. I
526016.1183 1.4246 -5.2877 3 901.0409573 89502 303953065 943064 a-Alanine, conf. I
526113.6538 1.4690 -5.0594 3 913.6738579 89502 303962967 953066 a-Alanine, conf. I
526130.3207 1.4657 -5.3088 3 913.6738579 89502 303963067 953066 a-Alanine, conf. I
526136.6395 1.5526 -5.4232 3 1012.6642663 89502 303B010A0 A91099 a-Alanine, conf. I
526136.6395 1.5526 -4.8441 3 1012.6642663 89502 303B010A0 A91199 a-Alanine, conf. I
526136.6395 1.5526 -4.8441 3 1012.6642663 89502 303B011A0 A91099 a-Alanine, conf. I
526136.6395 1.5526 -5.4232 3 1012.6642663 89502 303B011A0 A91199 a-Alanine, conf. I
526141.8522 1.9960 -5.4252 3 1023.2546681 89502 303B3 6A7 B2 6A6 a-Alanine, conf. I
526141.8522 1.9960 -4.8188 3 1023.2546681 89502 303B3 6A7 B2 7A6 a-Alanine, conf. I
526141.8522 1.9960 -4.8188 3 1023.2546681 89502 303B3 7A7 B2 6A6 a-Alanine, conf. I
526141.8522 1.9960 -5.4252 3 1023.2546681 89502 303B3 7A7 B2 7A6 a-Alanine, conf. I
526145.9001 1.4633 -5.3088 3 913.6727579 89502 303962967 952966 a-Alanine, conf. I
526162.5671 1.4608 -5.0593 3 913.6727579 89502 303963067 952966 a-Alanine, conf. I
526207.4427 0.3435 -5.1827 3 473.7834381 89502 303634023 623923 a-Alanine, conf. I
526207.4427 0.3435 -4.1221 3 473.7834381 89502 303634023 623924 a-Alanine, conf. I
526207.4427 0.3435 -4.1221 3 473.7834381 89502 303634024 623923 a-Alanine, conf. I
526207.4427 0.3435 -5.1827 3 473.7834381 89502 303634024 623924 a-Alanine, conf. I
526207.7650 1.1518 -5.3945 3 454.8599429 89502 303711358 701258 a-Alanine, conf. I
526207.7650 1.1518 -5.3945 3 454.8599429 89502 303711458 701358 a-Alanine, conf. I
526239.8780 1.4591 -5.0942 3 901.0409573 89502 303953165 943064 a-Alanine, conf. I
526424.5376 7.4600 -5.1753 3 841.1314549 89502 303913358 903357 a-Alanine, conf. I
526433.8397 2.9525 -4.9488 3 338.5195357 89502 303591841 581742 a-Alanine, conf. I
526442.5408 2.0056 -4.9454 3 384.6710375 89502 303622340 612041 a-Alanine, conf. I
526453.7748 1.5541 -5.1676 3 838.5342549 89502 303913259 903258 a-Alanine, conf. I
526454.1570 1.4821 -5.4085 3 989.3595633 89502 303A51788 A41787 a-Alanine, conf. I
526454.1570 1.4821 -4.8952 3 989.3595633 89502 303A51788 A41887 a-Alanine, conf. I
526454.1570 1.4821 -4.8952 3 989.3595633 89502 303A51888 A41787 a-Alanine, conf. I
526454.1570 1.4821 -5.4085 3 989.3595633 89502 303A51888 A41887 a-Alanine, conf. I
526500.7491 1.5140 -5.3690 3 954.2677603 89502 303A02476 992475 a-Alanine, conf. I
526500.7491 1.5140 -4.9649 3 954.2677603 89502 303A02476 992575 a-Alanine, conf. I
526500.7491 1.5140 -4.9649 3 954.2677603 89502 303A02576 992475 a-Alanine, conf. I
526500.7491 1.5140 -5.3690 3 954.2677603 89502 303A02576 992575 a-Alanine, conf. I
526502.1361 0.2818 -5.1089 3 451.9654339 89502 3035648 8 5547 8 a-Alanine, conf. I
526502.1361 0.2818 -3.9702 3 451.9654339 89502 3035648 8 5547 9 a-Alanine, conf. I
526502.1361 0.2818 -3.9702 3 451.9654339 89502 3035648 9 5547 8 a-Alanine, conf. I
526502.1361 0.2818 -5.1089 3 451.9654339 89502 3035648 9 5547 9 a-Alanine, conf. I
526636.6992 3.1825 -5.4241 3 1035.4117705 89502 303B7 1B6 B6 1B5 a-Alanine, conf. I
526636.6992 3.1825 -4.7907 3 1035.4117705 89502 303B7 1B6 B6 2B5 a-Alanine, conf. I
526636.6992 3.1825 -4.7907 3 1035.4117705 89502 303B7 2B6 B6 1B5 a-Alanine, conf. I
526636.6992 3.1825 -5.4241 3 1035.4117705 89502 303B7 2B6 B6 2B5 a-Alanine, conf. I
526691.7945 3.4339 -5.3546 3 541.4413447 89502 303742351 732251 a-Alanine, conf. I
526709.1574 0.3639 -5.1951 3 479.4049387 89502 303643925 633825 a-Alanine, conf. I
526709.1574 0.3639 -4.1490 3 479.4049387 89502 303643925 633826 a-Alanine, conf. I
526709.1574 0.3639 -4.1490 3 479.4049387 89502 303643926 633825 a-Alanine, conf. I
526709.1574 0.3639 -5.1951 3 479.4049387 89502 303643926 633826 a-Alanine, conf. I
526714.3635 2.8594 -4.9484 3 338.5193357 89502 303591941 581642 a-Alanine, conf. I
526762.4115 1.4890 -5.0348 3 925.9166585 89502 303972869 962968 a-Alanine, conf. I
526763.4308 1.4889 -5.3279 3 925.9166585 89502 303972969 962968 a-Alanine, conf. I
526764.4674 1.4887 -5.3279 3 925.9165585 89502 303972869 962868 a-Alanine, conf. I
526765.4868 1.4886 -5.0348 3 925.9165585 89502 303972969 962868 a-Alanine, conf. I
526795.0092 4.0822 -5.4125 3 947.0541573 89502 303954155 944154 a-Alanine, conf. I
526795.2355 4.0826 -5.4125 3 947.0541573 89502 303954154 944153 a-Alanine, conf. I
526795.3329 4.5738 -4.9273 3 367.0990369 89502 303612041 601942 a-Alanine, conf. I
526821.8208 1.0948 -4.5906 3 562.5490447 89502 303743045 732944 a-Alanine, conf. I
526857.2447 3.3274 -5.3543 3 541.4433447 89502 303742451 732351 a-Alanine, conf. I
526991.2696 8.7139 -5.2585 3 909.7591573 89502 303953263 943362 a-Alanine, conf. I
527002.0421 1.4671 -5.4233 3 1006.5952651 89502 303A81395 A71394 a-Alanine, conf. I
527002.0421 1.4671 -4.8688 3 1006.5952651 89502 303A81395 A71494 a-Alanine, conf. I
527002.0421 1.4671 -4.8688 3 1006.5952651 89502 303A81495 A71394 a-Alanine, conf. I
527002.0421 1.4671 -5.4233 3 1006.5952651 89502 303A81495 A71494 a-Alanine, conf. I
527025.0003 0.5050 -4.4145 3 530.0744429 89502 303713240 703139 a-Alanine, conf. I
527025.8906 0.5052 -5.2951 3 530.0744429 89502 303713239 703139 a-Alanine, conf. I
527028.6558 0.5058 -5.2951 3 530.0743429 89502 303713240 703140 a-Alanine, conf. I
527029.5461 0.5061 -4.4145 3 530.0743429 89502 303713239 703140 a-Alanine, conf. I
527057.9545 0.9883 -5.3631 3 572.9742453 89502 303752947 742847 a-Alanine, conf. I
527060.6106 1.5148 -5.3985 3 978.3013621 89502 303A32083 A22082 a-Alanine, conf. I
527060.6106 1.5148 -4.9240 3 978.3013621 89502 303A32083 A22182 a-Alanine, conf. I
527060.6106 1.5148 -4.9240 3 978.3013621 89502 303A32183 A22082 a-Alanine, conf. I
527060.6106 1.5148 -5.3985 3 978.3013621 89502 303A32183 A22182 a-Alanine, conf. I
527066.0937 1.7106 -5.3580 3 488.1776435 89502 303721755 711655 a-Alanine, conf. I
527066.0946 1.7106 -5.3580 3 488.1776435 89502 303721855 711755 a-Alanine, conf. I
527089.3828 5.0543 -5.3197 3 908.7840567 89502 303943758 933757 a-Alanine, conf. I
527124.1589 3.8601 -5.3665 3 562.8076453 89502 303752650 742550 a-Alanine, conf. I
527152.4059 0.3852 -5.2079 3 485.4092393 89502 303653827 643727 a-Alanine, conf. I
527152.4059 0.3852 -4.1777 3 485.4092393 89502 303653827 643728 a-Alanine, conf. I
527152.4059 0.3852 -4.1777 3 485.4092393 89502 303653828 643727 a-Alanine, conf. I
527152.4059 0.3852 -5.2079 3 485.4092393 89502 303653828 643728 a-Alanine, conf. I
527170.0036 2.1916 -5.4310 3 1029.6745687 89502 303B4 5A9 B3 5A8 a-Alanine, conf. I
527170.0036 2.1916 -4.8185 3 1029.6745687 89502 303B4 5A9 B3 6A8 a-Alanine, conf. I
527170.0036 2.1916 -4.8185 3 1029.6745687 89502 303B4 6A9 B3 5A8 a-Alanine, conf. I
527170.0036 2.1916 -5.4310 3 1029.6745687 89502 303B4 6A9 B3 6A8 a-Alanine, conf. I
527192.1257 0.2707 -5.1181 3 454.8775345 89502 303574710 564610 a-Alanine, conf. I
527192.1257 0.2707 -3.9874 3 454.8775345 89502 303574710 564611 a-Alanine, conf. I
527192.1257 0.2707 -3.9874 3 454.8775345 89502 303574711 564610 a-Alanine, conf. I
527192.1257 0.2707 -5.1181 3 454.8775345 89502 303574711 564611 a-Alanine, conf. I
527271.3561 1.6364 -5.4307 3 1020.0443669 89502 303B1 9A2 B0 9A1 a-Alanine, conf. I
527271.3561 1.6364 -4.8440 3 1020.0443669 89502 303B1 9A2 B010A1 a-Alanine, conf. I
527271.3561 1.6364 -4.8440 3 1020.0443669 89502 303B110A2 B0 9A1 a-Alanine, conf. I
527271.3561 1.6364 -5.4307 3 1020.0443669 89502 303B110A2 B010A1 a-Alanine, conf. I
527364.7422 0.7810 -5.3469 3 562.5490447 89502 303743044 732944 a-Alanine, conf. I
527386.7521 5.4517 -5.3192 3 908.7954567 89502 303943757 933756 a-Alanine, conf. I
527392.4333 1.7643 -5.2624 3 887.8804567 89502 303943163 933162 a-Alanine, conf. I
527509.0980 3.5164 -5.4277 3 1040.6028711 89502 303B8 0B8 B7 0B7 a-Alanine, conf. I
527509.0980 3.5164 -4.7897 3 1040.6028711 89502 303B8 0B8 B7 1B7 a-Alanine, conf. I
527509.0980 3.5164 -4.7897 3 1040.6028711 89502 303B8 1B8 B7 0B7 a-Alanine, conf. I
527509.0980 3.5164 -5.4277 3 1040.6028711 89502 303B8 1B8 B7 1B7 a-Alanine, conf. I
527520.1648 3.5738 -4.9347 3 352.7250363 89502 303601941 591842 a-Alanine, conf. I
527520.8568 0.4074 -5.2212 3 491.8040399 89502 303663729 653629 a-Alanine, conf. I
527520.8568 0.4074 -4.2085 3 491.8040399 89502 303663729 653630 a-Alanine, conf. I
527520.8568 0.4074 -4.2085 3 491.8040399 89502 303663730 653629 a-Alanine, conf. I
527520.8568 0.4074 -5.2212 3 491.8040399 89502 303663730 653630 a-Alanine, conf. I
527625.9562 1.5073 -5.0170 3 937.8275591 89502 303982771 972870 a-Alanine, conf. I
527626.0087 1.5073 -5.3457 3 937.8275591 89502 303982871 972870 a-Alanine, conf. I
527626.0660 1.5073 -5.3457 3 937.8275591 89502 303982771 972770 a-Alanine, conf. I
527626.1185 1.5073 -5.0170 3 937.8275591 89502 303982871 972770 a-Alanine, conf. I
527641.0365 0.4947 -4.3632 3 521.5199423 89502 303703338 693237 a-Alanine, conf. I
527641.0718 0.4947 -5.2791 3 521.5199423 89502 303703337 693237 a-Alanine, conf. I
527641.1950 0.4948 -5.2791 3 521.5199423 89502 303703338 693238 a-Alanine, conf. I
527641.2302 0.4948 -4.3632 3 521.5199423 89502 303703337 693238 a-Alanine, conf. I
527652.1629 1.0867 -5.4121 3 449.2386429 89502 303711259 701159 a-Alanine, conf. I
527652.1629 1.0867 -5.4121 3 449.2386429 89502 303711359 701259 a-Alanine, conf. I
527713.6851 1.5274 -5.3835 3 965.0364609 89502 303A12378 A02377 a-Alanine, conf. I
527713.6851 1.5274 -4.9583 3 965.0364609 89502 303A12378 A02477 a-Alanine, conf. I
527713.6851 1.5274 -4.9583 3 965.0364609 89502 303A12478 A02377 a-Alanine, conf. I
527713.6851 1.5274 -5.3835 3 965.0364609 89502 303A12478 A02477 a-Alanine, conf. I
527716.9397 9.3273 -5.2171 3 861.6374555 89502 303923458 913457 a-Alanine, conf. I
527717.4094 1.4819 -5.4192 3 998.4015639 89502 303A61690 A51689 a-Alanine, conf. I
527717.4094 1.4819 -4.8941 3 998.4015639 89502 303A61690 A51789 a-Alanine, conf. I
527717.4094 1.4819 -4.8941 3 998.4015639 89502 303A61790 A51689 a-Alanine, conf. I
527717.4094 1.4819 -5.4192 3 998.4015639 89502 303A61790 A51789 a-Alanine, conf. I
527792.3922 0.4304 -5.2349 3 498.5989405 89502 303673631 663531 a-Alanine, conf. I
527792.3922 0.4304 -4.2419 3 498.5989405 89502 303673631 663532 a-Alanine, conf. I
527792.3922 0.4304 -4.2419 3 498.5989405 89502 303673632 663531 a-Alanine, conf. I
527792.3922 0.4304 -5.2349 3 498.5989405 89502 303673632 663532 a-Alanine, conf. I
527862.3167 4.1757 -5.4360 3 306.7587333 89502 303552333 542034 a-Alanine, conf. I
527870.8436 0.2696 -5.1277 3 458.1419351 89502 303584612 574512 a-Alanine, conf. I
527870.8436 0.2696 -4.0055 3 458.1419351 89502 303584612 574513 a-Alanine, conf. I
527870.8436 0.2696 -4.0055 3 458.1419351 89502 303584613 574512 a-Alanine, conf. I
527870.8436 0.2696 -5.1277 3 458.1419351 89502 303584613 574513 a-Alanine, conf. I
527905.4357 8.8690 -5.1430 3 853.0112555 89502 303923261 913160 a-Alanine, conf. I
527908.1251 0.4760 -4.3184 3 513.4393417 89502 303693436 683335 a-Alanine, conf. I
527908.1262 0.4760 -5.2638 3 513.4393417 89502 303693435 683335 a-Alanine, conf. I
527908.1306 0.4760 -5.2638 3 513.4393417 89502 303693436 683336 a-Alanine, conf. I
527908.1317 0.4760 -4.3184 3 513.4393417 89502 303693435 683336 a-Alanine, conf. I
527911.8029 1.7746 -5.4359 3 632.5956477 89502 303792950 782850 a-Alanine, conf. I
527924.7885 16.6448 -5.0481 3 732.0095513 89502 303853155 843054 a-Alanine, conf. I
527936.2505 0.4537 -5.2491 3 505.8056411 89502 303683533 673433 a-Alanine, conf. I
527936.2505 0.4537 -4.2783 3 505.8056411 89502 303683534 673433 a-Alanine, conf. I
527936.2506 0.4537 -5.2491 3 505.8056411 89502 303683534 673434 a-Alanine, conf. I
527936.2507 0.4537 -4.2783 3 505.8056411 89502 303683533 673434 a-Alanine, conf. I
528011.8533 1.2087 -5.1637 3 275.4997333 89502 303551243 541144 a-Alanine, conf. I
528011.8574 1.2087 -5.1637 3 275.4997333 89502 303551343 541044 a-Alanine, conf. I
528073.7001 4.3354 -5.3940 3 941.4908573 89502 303954056 944055 a-Alanine, conf. I
528075.5874 4.3385 -5.3940 3 941.4909573 89502 303954055 944054 a-Alanine, conf. I
528127.1260 2.3755 -5.3506 3 515.2808441 89502 303732053 721953 a-Alanine, conf. I
528127.7444 2.3750 -5.3506 3 515.2809441 89502 303732153 722053 a-Alanine, conf. I
528154.1280 6.1244 -5.1437 3 870.3970561 89502 303933262 923161 a-Alanine, conf. I
528166.7954 2.4172 -5.4363 3 1035.8591693 89502 303B5 4B1 B4 4B0 a-Alanine, conf. I
528166.7954 2.4172 -4.8182 3 1035.8591693 89502 303B5 4B1 B4 5B0 a-Alanine, conf. I
528166.7954 2.4172 -4.8182 3 1035.8591693 89502 303B5 5B1 B4 4B0 a-Alanine, conf. I
528166.7954 2.4172 -5.4363 3 1035.8591693 89502 303B5 5B1 B4 5B0 a-Alanine, conf. I
528202.0270 1.4930 -5.4321 3 1014.6946657 89502 303A91297 A81296 a-Alanine, conf. I
528202.0270 1.4930 -4.8686 3 1014.6946657 89502 303A91297 A81396 a-Alanine, conf. I
528202.0270 1.4930 -4.8686 3 1014.6946657 89502 303A91397 A81296 a-Alanine, conf. I
528202.0270 1.4930 -5.4321 3 1014.6946657 89502 303A91397 A81396 a-Alanine, conf. I
528338.9285 1.5182 -5.4106 3 988.0702627 89502 303A41985 A31984 a-Alanine, conf. I
528338.9285 1.5182 -4.9215 3 988.0702627 89502 303A41985 A32084 a-Alanine, conf. I
528338.9285 1.5182 -4.9215 3 988.0702627 89502 303A42085 A31984 a-Alanine, conf. I
528338.9285 1.5182 -5.4106 3 988.0702627 89502 303A42085 A32084 a-Alanine, conf. I
528379.0910 1.7471 -5.4378 3 1027.1955675 89502 303B2 8A4 B1 8A3 a-Alanine, conf. I
528379.0910 1.7471 -4.8440 3 1027.1955675 89502 303B2 8A4 B1 9A3 a-Alanine, conf. I
528379.0910 1.7471 -4.8440 3 1027.1955675 89502 303B2 9A4 B1 8A3 a-Alanine, conf. I
528379.0910 1.7471 -5.4378 3 1027.1955675 89502 303B2 9A4 B1 9A3 a-Alanine, conf. I
528513.4335 3.2458 -4.9335 3 352.7238363 89502 303602041 591742 a-Alanine, conf. I
528518.5433 0.5360 -5.3451 3 562.4924447 89502 303743045 732945 a-Alanine, conf. I
528535.7887 0.2763 -5.1378 3 461.7611357 89502 303594514 584414 a-Alanine, conf. I
528535.7887 0.2763 -4.0247 3 461.7611357 89502 303594514 584415 a-Alanine, conf. I
528535.7887 0.2763 -4.0247 3 461.7611357 89502 303594515 584414 a-Alanine, conf. I
528535.7887 0.2763 -5.1378 3 461.7611357 89502 303594515 584415 a-Alanine, conf. I
528579.3211 2.5380 -5.1588 3 905.5507573 89502 303953164 943263 a-Alanine, conf. I
528595.7188 8.4219 -5.2595 3 882.7213561 89502 303933558 923557 a-Alanine, conf. I
528637.2426 1.5238 -5.0035 3 949.4370597 89502 303992673 982772 a-Alanine, conf. I
528637.2449 1.5238 -5.3626 3 949.4370597 89502 303992773 982772 a-Alanine, conf. I
528637.2476 1.5238 -5.3626 3 949.4370597 89502 303992673 982672 a-Alanine, conf. I
528637.2499 1.5238 -5.0035 3 949.4370597 89502 303992773 982672 a-Alanine, conf. I
528806.4088 9.7897 -4.8458 3 634.9411477 89502 303793050 782949 a-Alanine, conf. I
528943.6929 1.5448 -5.3675 3 483.0858435 89502 303721656 711556 a-Alanine, conf. I
528943.6930 1.5448 -5.3675 3 483.0858435 89502 303721756 711656 a-Alanine, conf. I
528958.4102 1.5387 -5.3973 3 975.5577615 89502 303A22280 A12279 a-Alanine, conf. I
528958.4102 1.5387 -4.9532 3 975.5577615 89502 303A22280 A12379 a-Alanine, conf. I
528958.4102 1.5387 -4.9532 3 975.5577615 89502 303A22380 A12279 a-Alanine, conf. I
528958.4102 1.5387 -5.3973 3 975.5577615 89502 303A22380 A12379 a-Alanine, conf. I
528967.3078 1.4838 -5.4294 3 1007.2178645 89502 303A71592 A61591 a-Alanine, conf. I
528967.3078 1.4838 -4.8934 3 1007.2178645 89502 303A71592 A61691 a-Alanine, conf. I
528967.3078 1.4838 -4.8934 3 1007.2178645 89502 303A71692 A61591 a-Alanine, conf. I
528967.3078 1.4838 -5.4294 3 1007.2178645 89502 303A71692 A61691 a-Alanine, conf. I
529017.0583 1.0554 -5.4326 3 443.4670429 89502 303711160 701060 a-Alanine, conf. I
529017.0583 1.0554 -5.4326 3 443.4670429 89502 303711260 701160 a-Alanine, conf. I
529056.3273 12.4239 -4.9189 3 479.2410417 89502 303692544 682445 a-Alanine, conf. I
529061.4647 0.7163 -4.5875 3 562.4924447 89502 303743044 732945 a-Alanine, conf. I
529064.6927 0.4247 -5.0859 3 453.2195321 89502 3035352 1 5251 1 a-Alanine, conf. I
529064.6927 0.4247 -3.9229 3 453.2195321 89502 3035352 1 5251 2 a-Alanine, conf. I
529064.6927 0.4247 -3.9229 3 453.2195321 89502 3035352 2 5251 1 a-Alanine, conf. I
529064.6927 0.4247 -5.0859 3 453.2195321 89502 3035352 2 5251 2 a-Alanine, conf. I
529131.2512 2.6723 -5.4413 3 1041.8062699 89502 303B6 3B3 B5 3B2 a-Alanine, conf. I
529131.2512 2.6723 -4.8177 3 1041.8062699 89502 303B6 3B3 B5 4B2 a-Alanine, conf. I
529131.2512 2.6723 -4.8177 3 1041.8062699 89502 303B6 4B3 B5 3B2 a-Alanine, conf. I
529131.2512 2.6723 -5.4413 3 1041.8062699 89502 303B6 4B3 B5 4B2 a-Alanine, conf. I
529183.8451 0.2885 -5.1483 3 465.7376363 89502 303604416 594316 a-Alanine, conf. I
529183.8451 0.2885 -4.0450 3 465.7376363 89502 303604416 594317 a-Alanine, conf. I
529183.8451 0.2885 -4.0450 3 465.7376363 89502 303604417 594316 a-Alanine, conf. I
529183.8451 0.2885 -5.1483 3 465.7376363 89502 303604417 594317 a-Alanine, conf. I
529189.3419 5.2063 -5.3023 3 904.2626567 89502 303943659 933658 a-Alanine, conf. I
529238.7451 2.0392 -5.2687 3 892.1056567 89502 303943362 933361 a-Alanine, conf. I
529281.9422 0.9266 -5.2886 3 257.8448327 89502 303541044 53 945 a-Alanine, conf. I
529281.9423 0.9266 -5.2886 3 257.8448327 89502 303541144 53 845 a-Alanine, conf. I
529378.4411 1.8855 -5.0329 3 306.8322345 89502 303571542 561443 a-Alanine, conf. I
529379.4386 1.5353 -5.4405 3 1022.5679663 89502 303B01199 A91198 a-Alanine, conf. I
529379.4386 1.5353 -4.8686 3 1022.5679663 89502 303B01199 A91298 a-Alanine, conf. I
529379.4386 1.5353 -4.8686 3 1022.5679663 89502 303B01299 A91198 a-Alanine, conf. I
529379.4386 1.5353 -5.4405 3 1022.5679663 89502 303B01299 A91298 a-Alanine, conf. I
529380.1575 1.8849 -5.0329 3 306.8322345 89502 303571642 561343 a-Alanine, conf. I
529389.9639 12.1129 -5.1436 3 835.7133549 89502 303913260 903159 a-Alanine, conf. I
529458.5205 1.8870 -5.4445 3 1034.1163681 89502 303B3 7A6 B2 7A5 a-Alanine, conf. I
529458.5205 1.8870 -4.8440 3 1034.1163681 89502 303B3 7A6 B2 8A5 a-Alanine, conf. I
529458.5205 1.8870 -4.8440 3 1034.1163681 89502 303B3 8A6 B2 7A5 a-Alanine, conf. I
529458.5205 1.8870 -5.4445 3 1034.1163681 89502 303B3 8A6 B2 8A5 a-Alanine, conf. I
529560.5187 4.6405 -5.3757 3 936.1749573 89502 303953957 943956 a-Alanine, conf. I
529563.6415 3.6986 -5.4907 3 982.5727579 89502 303964453 954452 a-Alanine, conf. I
529563.6420 3.6986 -5.4907 3 982.5727579 89502 303964452 954451 a-Alanine, conf. I
529574.6359 4.6628 -5.3757 3 936.1754573 89502 303953956 943955 a-Alanine, conf. I
529615.4956 1.5193 -5.4223 3 997.6092633 89502 303A51887 A41886 a-Alanine, conf. I
529615.4956 1.5193 -4.9197 3 997.6092633 89502 303A51887 A41986 a-Alanine, conf. I
529615.4956 1.5193 -4.9197 3 997.6092633 89502 303A51987 A41886 a-Alanine, conf. I
529615.4956 1.5193 -5.4223 3 997.6092633 89502 303A51987 A41986 a-Alanine, conf. I
529708.5616 0.8258 -5.4542 3 240.1756321 89502 30353 845 52 746 a-Alanine, conf. I
529708.5616 0.8258 -5.4542 3 240.1756321 89502 30353 945 52 646 a-Alanine, conf. I
529742.6388 4.0957 -5.1466 3 887.8804567 89502 303943263 933162 a-Alanine, conf. I
529746.9140 1.5395 -4.9933 3 960.7661603 89502 303A02575 992674 a-Alanine, conf. I
529746.9140 1.5395 -5.3786 3 960.7661603 89502 303A02675 992674 a-Alanine, conf. I
529746.9141 1.5395 -5.3786 3 960.7661603 89502 303A02575 992574 a-Alanine, conf. I
529746.9142 1.5395 -4.9933 3 960.7661603 89502 303A02675 992574 a-Alanine, conf. I
529780.1659 0.3721 -5.0935 3 454.9242327 89502 3035451 3 5350 3 a-Alanine, conf. I
529780.1659 0.3721 -3.9369 3 454.9242327 89502 3035451 3 5350 4 a-Alanine, conf. I
529780.1659 0.3721 -3.9369 3 454.9242327 89502 3035451 4 5350 3 a-Alanine, conf. I
529780.1659 0.3721 -5.0935 3 454.9242327 89502 3035451 4 5350 4 a-Alanine, conf. I
529811.1160 0.3043 -5.1592 3 470.0744369 89502 303614318 604218 a-Alanine, conf. I
529811.1160 0.3043 -4.0665 3 470.0744369 89502 303614318 604219 a-Alanine, conf. I
529811.1160 0.3043 -4.0665 3 470.0744369 89502 303614319 604218 a-Alanine, conf. I
529811.1160 0.3043 -5.1592 3 470.0744369 89502 303614319 604219 a-Alanine, conf. I
529848.8836 1.8185 -4.6317 3 576.5238453 89502 303753046 742945 a-Alanine, conf. I
529895.5224 1.5133 -5.1057 3 918.5944579 89502 303963066 953165 a-Alanine, conf. I
529926.8377 1.4857 -5.2908 3 905.5507573 89502 303953264 943263 a-Alanine, conf. I
529949.1199 1.5955 -5.1956 3 856.0948555 89502 303923260 913259 a-Alanine, conf. I
529976.2912 3.5550 -4.9240 3 367.0944369 89502 303612141 601842 a-Alanine, conf. I
530015.7443 1.4804 -5.3131 3 918.5944579 89502 303963166 953165 a-Alanine, conf. I
530054.4435 2.7540 -5.3802 3 583.8171459 89502 303762849 752749 a-Alanine, conf. I
530062.4572 2.9562 -5.4459 3 1047.5135705 89502 303B7 2B5 B6 2B4 a-Alanine, conf. I
530062.4572 2.9562 -4.8172 3 1047.5135705 89502 303B7 2B5 B6 3B4 a-Alanine, conf. I
530062.4572 2.9562 -4.8172 3 1047.5135705 89502 303B7 3B5 B6 2B4 a-Alanine, conf. I
530062.4572 2.9562 -5.4459 3 1047.5135705 89502 303B7 3B5 B6 3B4 a-Alanine, conf. I
530119.2821 1.4689 -5.3129 3 918.5870579 89502 303963066 953065 a-Alanine, conf. I
530200.8809 1.4906 -5.4392 3 1015.8087651 89502 303A81494 A71493 a-Alanine, conf. I
530200.8809 1.4906 -4.8931 3 1015.8087651 89502 303A81494 A71593 a-Alanine, conf. I
530200.8809 1.4906 -4.8931 3 1015.8087651 89502 303A81594 A71493 a-Alanine, conf. I
530200.8809 1.4906 -5.4392 3 1015.8087651 89502 303A81594 A71593 a-Alanine, conf. I
530222.5824 1.5473 -5.4107 3 985.8380621 89502 303A32182 A22181 a-Alanine, conf. I
530222.5824 1.5473 -4.9493 3 985.8380621 89502 303A32182 A22281 a-Alanine, conf. I
530222.5824 1.5473 -4.9493 3 985.8380621 89502 303A32282 A22181 a-Alanine, conf. I
530222.5824 1.5473 -5.4107 3 985.8380621 89502 303A32282 A22281 a-Alanine, conf. I
530239.5040 1.4706 -5.1051 3 918.5870579 89502 303963166 953065 a-Alanine, conf. I
530276.9347 2.9974 -5.3566 3 537.2807447 89502 303742252 732152 a-Alanine, conf. I
530299.8995 2.9818 -5.3566 3 537.2809447 89502 303742352 732252 a-Alanine, conf. I
530311.5951 1.0594 -5.4564 3 437.5475429 89502 303711061 70 961 a-Alanine, conf. I
530311.5951 1.0594 -5.4564 3 437.5475429 89502 303711161 701061 a-Alanine, conf. I
530384.3378 0.5139 -4.5055 3 552.5993441 89502 303733143 723042 a-Alanine, conf. I
530391.9236 1.5097 -5.0737 3 931.2236585 89502 303972968 963067 a-Alanine, conf. I
530400.4575 1.5080 -5.3337 3 931.2236585 89502 303973068 963067 a-Alanine, conf. I
530408.5905 1.5067 -5.3337 3 931.2230585 89502 303972968 962967 a-Alanine, conf. I
530412.7024 0.3222 -5.1705 3 474.7751375 89502 303624220 614120 a-Alanine, conf. I
530412.7024 0.3222 -4.0893 3 474.7751375 89502 303624220 614121 a-Alanine, conf. I
530412.7024 0.3222 -4.0893 3 474.7751375 89502 303624221 614120 a-Alanine, conf. I
530412.7024 0.3222 -5.1705 3 474.7751375 89502 303624221 614121 a-Alanine, conf. I
530417.1244 1.5053 -5.0737 3 931.2230585 89502 303973068 962967 a-Alanine, conf. I
530422.3931 0.5144 -5.3271 3 552.5993441 89502 303733142 723042 a-Alanine, conf. I
530488.2485 3.8765 -5.4710 3 976.3706579 89502 303964354 954353 a-Alanine, conf. I
530488.2540 3.8765 -5.4710 3 976.3706579 89502 303964353 954352 a-Alanine, conf. I
530489.8554 0.3307 -5.1016 3 456.9753333 89502 3035550 5 5449 5 a-Alanine, conf. I
530489.8554 0.3307 -3.9518 3 456.9753333 89502 3035550 5 5449 6 a-Alanine, conf. I
530489.8554 0.3307 -3.9518 3 456.9753333 89502 3035550 6 5449 5 a-Alanine, conf. I
530489.8554 0.3307 -5.1016 3 456.9753333 89502 3035550 6 5449 6 a-Alanine, conf. I
530508.4334 2.0570 -5.4508 3 1040.8048687 89502 303B4 6A8 B3 6A7 a-Alanine, conf. I
530508.4334 2.0570 -4.8440 3 1040.8048687 89502 303B4 6A8 B3 7A7 a-Alanine, conf. I
530508.4334 2.0570 -4.8440 3 1040.8048687 89502 303B4 7A8 B3 6A7 a-Alanine, conf. I
530508.4334 2.0570 -5.4508 3 1040.8048687 89502 303B4 7A8 B3 7A7 a-Alanine, conf. I
530520.7932 0.5216 -5.3269 3 552.5948441 89502 303733143 723043 a-Alanine, conf. I
530532.5064 1.5982 -5.4486 3 1030.2142669 89502 303B110A1 B010A0 a-Alanine, conf. I
530532.5064 1.5982 -4.8687 3 1030.2142669 89502 303B110A1 B011A0 a-Alanine, conf. I
530532.5064 1.5982 -4.8687 3 1030.2142669 89502 303B111A1 B010A0 a-Alanine, conf. I
530532.5064 1.5982 -5.4486 3 1030.2142669 89502 303B111A1 B011A0 a-Alanine, conf. I
530553.1569 2.1397 -5.3562 3 510.6118441 89502 303731954 721854 a-Alanine, conf. I
530553.2162 2.1397 -5.3562 3 510.6118441 89502 303732054 721954 a-Alanine, conf. I
530558.8485 0.5275 -4.5053 3 552.5948441 89502 303733142 723043 a-Alanine, conf. I
530593.6110 4.0663 -5.3682 3 559.0098453 89502 303752451 742351 a-Alanine, conf. I
530684.9598 1.4007 -5.3787 3 477.8291435 89502 303721557 711457 a-Alanine, conf. I
530684.9598 1.4007 -5.3787 3 477.8291435 89502 303721657 711557 a-Alanine, conf. I
530688.6365 6.9625 -5.2998 3 904.3282567 89502 303943658 933657 a-Alanine, conf. I
530885.4019 1.5189 -5.4336 3 1006.9201639 89502 303A61789 A51788 a-Alanine, conf. I
530885.4019 1.5189 -4.9185 3 1006.9201639 89502 303A61789 A51888 a-Alanine, conf. I
530885.4019 1.5189 -4.9185 3 1006.9201639 89502 303A61889 A51788 a-Alanine, conf. I
530885.4019 1.5189 -5.4336 3 1006.9201639 89502 303A61889 A51888 a-Alanine, conf. I
530891.0965 1.1410 -5.3643 3 576.5238453 89502 303753045 742945 a-Alanine, conf. I
530893.6600 4.7042 -5.2867 3 900.0424567 89502 303943560 933559 a-Alanine, conf. I
530922.7646 1.5542 -5.3938 3 971.8298609 89502 303A12477 A02476 a-Alanine, conf. I
530922.7646 1.5542 -4.9856 3 971.8298609 89502 303A12477 A02576 a-Alanine, conf. I
530922.7646 1.5542 -4.9856 3 971.8298609 89502 303A12577 A02476 a-Alanine, conf. I
530922.7646 1.5542 -5.3938 3 971.8298609 89502 303A12577 A02576 a-Alanine, conf. I
530929.5266 1.5857 -5.2889 3 905.4723573 89502 303953164 943163 a-Alanine, conf. I
530959.5544 3.2682 -5.4500 3 1052.9785711 89502 303B8 1B7 B7 1B6 a-Alanine, conf. I
530959.5544 3.2682 -4.8165 3 1052.9785711 89502 303B8 1B7 B7 2B6 a-Alanine, conf. I
530959.5544 3.2682 -4.8165 3 1052.9785711 89502 303B8 2B7 B7 1B6 a-Alanine, conf. I
530959.5544 3.2682 -5.4500 3 1052.9785711 89502 303B8 2B7 B7 2B6 a-Alanine, conf. I
530982.4025 0.3414 -5.1823 3 479.8437381 89502 303634122 624022 a-Alanine, conf. I
530982.4025 0.3414 -4.1135 3 479.8437381 89502 303634122 624023 a-Alanine, conf. I
530982.4025 0.3414 -4.1135 3 479.8437381 89502 303634123 624022 a-Alanine, conf. I
530982.4025 0.3414 -5.1823 3 479.8437381 89502 303634123 624023 a-Alanine, conf. I
531094.9114 1.5302 -5.0515 3 943.4875591 89502 303982870 972969 a-Alanine, conf. I
531095.4130 1.5302 -5.3528 3 943.4875591 89502 303982970 972969 a-Alanine, conf. I
531095.9307 1.5301 -5.3528 3 943.4875591 89502 303982870 972869 a-Alanine, conf. I
531096.4323 1.5300 -5.0515 3 943.4875591 89502 303982970 972869 a-Alanine, conf. I
531135.4338 3.3847 -5.2751 3 896.0482567 89502 303943461 933460 a-Alanine, conf. I
531149.2056 3.7135 -5.3673 3 559.0174453 89502 303752551 742451 a-Alanine, conf. I
531192.6150 0.3012 -5.1102 3 459.3742339 89502 3035649 7 5548 7 a-Alanine, conf. I
531192.6150 0.3012 -3.9674 3 459.3742339 89502 3035649 7 5548 8 a-Alanine, conf. I
531192.6150 0.3012 -3.9674 3 459.3742339 89502 3035649 8 5548 7 a-Alanine, conf. I
531192.6150 0.3012 -5.1102 3 459.3742339 89502 3035649 8 5548 8 a-Alanine, conf. I
531311.1314 4.9991 -5.3577 3 931.1255573 89502 303953858 943857 a-Alanine, conf. I
531353.1712 7.8539 -4.9390 3 408.0169387 89502 303642242 632143 a-Alanine, conf. I
531404.4919 5.1356 -5.3575 3 931.1288573 89502 303953857 943856 a-Alanine, conf. I
531415.5782 1.5060 -5.4486 3 1024.1741657 89502 303A91396 A81395 a-Alanine, conf. I
531415.5782 1.5060 -4.8930 3 1024.1741657 89502 303A91396 A81495 a-Alanine, conf. I
531415.5782 1.5060 -4.8930 3 1024.1741657 89502 303A91496 A81395 a-Alanine, conf. I
531415.5782 1.5060 -5.4486 3 1024.1741657 89502 303A91496 A81495 a-Alanine, conf. I
531473.0436 8.2241 -4.7816 3 555.7037447 89502 303742846 732747 a-Alanine, conf. I
531496.8589 1.5531 -5.4235 3 995.8822627 89502 303A42084 A32083 a-Alanine, conf. I
531496.8589 1.5531 -4.9465 3 995.8822627 89502 303A42084 A32183 a-Alanine, conf. I
531496.8589 1.5531 -4.9465 3 995.8822627 89502 303A42184 A32083 a-Alanine, conf. I
531496.8589 1.5531 -5.4235 3 995.8822627 89502 303A42184 A32183 a-Alanine, conf. I
531512.2974 0.3617 -5.1946 3 485.2851387 89502 303644024 633924 a-Alanine, conf. I
531512.2974 0.3617 -4.1393 3 485.2851387 89502 303644024 633925 a-Alanine, conf. I
531512.2974 0.3617 -4.1393 3 485.2851387 89502 303644025 633924 a-Alanine, conf. I
531512.2974 0.3617 -5.1946 3 485.2851387 89502 303644025 633925 a-Alanine, conf. I
531525.4824 4.0780 -5.4518 3 970.3852579 89502 303964255 954254 a-Alanine, conf. I
531525.5366 4.0781 -5.4518 3 970.3852579 89502 303964254 954253 a-Alanine, conf. I
531527.7133 2.2575 -5.4567 3 1047.2590693 89502 303B5 5B0 B4 5A9 a-Alanine, conf. I
531527.7133 2.2575 -4.8440 3 1047.2590693 89502 303B5 5B0 B4 6A9 a-Alanine, conf. I
531527.7133 2.2575 -4.8440 3 1047.2590693 89502 303B5 6B0 B4 5A9 a-Alanine, conf. I
531527.7133 2.2575 -5.4567 3 1047.2590693 89502 303B5 6B0 B4 6A9 a-Alanine, conf. I
531543.4151 1.0972 -5.4845 3 431.4823429 89502 30371 962 70 862 a-Alanine, conf. I
531543.4151 1.0972 -5.4845 3 431.4823429 89502 303711062 70 962 a-Alanine, conf. I
531584.2716 3.8043 -5.3811 3 580.3905459 89502 303762750 752650 a-Alanine, conf. I
531659.6465 1.6855 -5.4562 3 1037.6322675 89502 303B2 9A3 B1 9A2 a-Alanine, conf. I
531659.6465 1.6855 -4.8689 3 1037.6322675 89502 303B2 9A3 B110A2 a-Alanine, conf. I
531659.6465 1.6855 -4.8689 3 1037.6322675 89502 303B210A3 B1 9A2 a-Alanine, conf. I
531659.6465 1.6855 -5.4562 3 1037.6322675 89502 303B210A3 B110A2 a-Alanine, conf. I
531735.7037 3.5799 -4.9223 3 381.6166375 89502 303622241 611942 a-Alanine, conf. I
531750.2564 7.1481 -4.7861 3 619.9387471 89502 303783049 772948 a-Alanine, conf. I
531821.7318 3.6078 -5.4538 3 1058.1986717 89502 303B9 0B9 B8 0B8 a-Alanine, conf. I
531821.7318 3.6078 -4.8157 3 1058.1986717 89502 303B9 0B9 B8 1B8 a-Alanine, conf. I
531821.7318 3.6078 -4.8157 3 1058.1986717 89502 303B9 1B9 B8 0B8 a-Alanine, conf. I
531821.7318 3.6078 -5.4538 3 1058.1986717 89502 303B9 1B9 B8 1B8 a-Alanine, conf. I
531842.3004 0.5204 -4.4411 3 543.2783435 89502 303723241 713140 a-Alanine, conf. I
531844.3434 0.5208 -5.3096 3 543.2783435 89502 303723240 713140 a-Alanine, conf. I
531850.4613 0.5221 -5.3096 3 543.2780435 89502 303723241 713141 a-Alanine, conf. I
531852.5043 0.5226 -4.4411 3 543.2780435 89502 303723240 713141 a-Alanine, conf. I
531887.0255 0.2836 -5.1192 3 462.1224345 89502 3035748 9 5647 9 a-Alanine, conf. I
531887.0255 0.2836 -3.9840 3 462.1224345 89502 3035748 9 564710 a-Alanine, conf. I
531887.0255 0.2836 -3.9840 3 462.1224345 89502 303574810 5647 9 a-Alanine, conf. I
531887.0255 0.2836 -5.1192 3 462.1224345 89502 303574810 564710 a-Alanine, conf. I
531947.1874 3.0162 -4.6776 3 590.7385459 89502 303763047 752946 a-Alanine, conf. I
531967.5983 8.2714 -5.4402 3 630.1534477 89502 303792851 782751 a-Alanine, conf. I
531992.1629 0.3828 -5.2072 3 491.1050393 89502 303653926 643826 a-Alanine, conf. I
531992.1629 0.3828 -4.1667 3 491.1050393 89502 303653926 643827 a-Alanine, conf. I
531992.1629 0.3828 -4.1667 3 491.1050393 89502 303653927 643826 a-Alanine, conf. I
531992.1629 0.3828 -5.2072 3 491.1050393 89502 303653927 643827 a-Alanine, conf. I
531997.0663 1.5482 -5.0352 3 955.4272597 89502 303992772 982871 a-Alanine, conf. I
531997.0913 1.5482 -5.3707 3 955.4272597 89502 303992872 982871 a-Alanine, conf. I
531997.1188 1.5482 -5.3707 3 955.4272597 89502 303992772 982771 a-Alanine, conf. I
531997.1438 1.5482 -5.0352 3 955.4272597 89502 303992872 982771 a-Alanine, conf. I
532142.8832 1.5674 -5.4084 3 982.6390615 89502 303A22379 A12378 a-Alanine, conf. I
532142.8832 1.5674 -4.9796 3 982.6390615 89502 303A22379 A12478 a-Alanine, conf. I
532142.8832 1.5674 -4.9796 3 982.6390615 89502 303A22479 A12378 a-Alanine, conf. I
532142.8832 1.5674 -5.4084 3 982.6390615 89502 303A22479 A12478 a-Alanine, conf. I
532144.6042 1.5188 -5.4444 3 1016.0042645 89502 303A71691 A61690 a-Alanine, conf. I
532144.6042 1.5188 -4.9178 3 1016.0042645 89502 303A71691 A61790 a-Alanine, conf. I
532144.6042 1.5188 -4.9178 3 1016.0042645 89502 303A71791 A61690 a-Alanine, conf. I
532144.6042 1.5188 -5.4444 3 1016.0042645 89502 303A71791 A61790 a-Alanine, conf. I
532184.1590 1.3869 -5.3791 3 587.1425459 89502 303762948 752848 a-Alanine, conf. I
532277.0432 2.7686 -5.1518 3 905.4723573 89502 303953264 943163 a-Alanine, conf. I
532310.2181 1.2804 -5.3916 3 472.4123435 89502 303721458 711358 a-Alanine, conf. I
532310.2181 1.2804 -5.3916 3 472.4123435 89502 303721558 711458 a-Alanine, conf. I
532408.6154 0.4048 -5.2203 3 497.3102399 89502 303663828 653728 a-Alanine, conf. I
532408.6154 0.4048 -4.1962 3 497.3102399 89502 303663828 653729 a-Alanine, conf. I
532408.6154 0.4048 -4.1962 3 497.3102399 89502 303663829 653728 a-Alanine, conf. I
532408.6154 0.4048 -5.2203 3 497.3102399 89502 303663829 653729 a-Alanine, conf. I
532430.2644 1.4169 -5.1178 3 289.0723339 89502 303561343 551244 a-Alanine, conf. I
532430.2903 1.4168 -5.1178 3 289.0723339 89502 303561443 551144 a-Alanine, conf. I
532515.3258 2.4882 -5.4622 3 1053.4768699 89502 303B6 4B2 B5 4B1 a-Alanine, conf. I
532515.3258 2.4882 -4.8438 3 1053.4768699 89502 303B6 4B2 B5 5B1 a-Alanine, conf. I
532515.3258 2.4882 -4.8438 3 1053.4768699 89502 303B6 5B2 B5 4B1 a-Alanine, conf. I
532515.3258 2.4882 -5.4622 3 1053.4768699 89502 303B6 5B2 B5 5B1 a-Alanine, conf. I
532559.7349 4.1655 -4.7112 3 572.9742453 89502 303752946 742847 a-Alanine, conf. I
532571.3300 0.2771 -5.1286 3 465.2218351 89502 303584711 574611 a-Alanine, conf. I
532571.3300 0.2771 -4.0016 3 465.2218351 89502 303584711 574612 a-Alanine, conf. I
532571.3300 0.2771 -4.0016 3 465.2218351 89502 303584712 574611 a-Alanine, conf. I
532571.3300 0.2771 -5.1286 3 465.2218351 89502 303584712 574612 a-Alanine, conf. I
532600.8724 0.5140 -4.3875 3 534.4881429 89502 303713339 703238 a-Alanine, conf. I
532600.9590 0.5140 -5.2932 3 534.4881429 89502 303713338 703238 a-Alanine, conf. I
532601.2520 0.5141 -5.2932 3 534.4881429 89502 303713339 703239 a-Alanine, conf. I
532601.3386 0.5141 -4.3875 3 534.4881429 89502 303713338 703239 a-Alanine, conf. I
532609.1826 1.5339 -5.4576 3 1032.3135663 89502 303B01298 A91297 a-Alanine, conf. I
532609.1826 1.5339 -4.8932 3 1032.3135663 89502 303B01298 A91397 a-Alanine, conf. I
532609.1826 1.5339 -4.8932 3 1032.3135663 89502 303B01398 A91297 a-Alanine, conf. I
532609.1826 1.5339 -5.4576 3 1032.3135663 89502 303B01398 A91397 a-Alanine, conf. I
532701.9761 4.3116 -5.4330 3 964.6261579 89502 303964156 954155 a-Alanine, conf. I
532702.4564 4.3125 -5.4330 3 964.6261579 89502 303964155 954154 a-Alanine, conf. I
532716.4966 4.8000 -4.7292 3 605.2062465 89502 303773048 762947 a-Alanine, conf. I
532735.7007 2.5445 -5.2254 3 873.7720561 89502 303933261 923260 a-Alanine, conf. I
532743.8282 0.4278 -5.2339 3 503.9090405 89502 303673730 663630 a-Alanine, conf. I
532743.8282 0.4278 -4.2278 3 503.9090405 89502 303673730 663631 a-Alanine, conf. I
532743.8282 0.4278 -4.2278 3 503.9090405 89502 303673731 663630 a-Alanine, conf. I
532743.8282 0.4278 -5.2339 3 503.9090405 89502 303673731 663631 a-Alanine, conf. I
532747.2986 1.9302 -5.3630 3 505.7586441 89502 303731855 721755 a-Alanine, conf. I
532747.3036 1.9302 -5.3630 3 505.7586441 89502 303731955 721855 a-Alanine, conf. I
532759.4286 1.8003 -5.4635 3 1044.8204681 89502 303B3 8A5 B2 8A4 a-Alanine, conf. I
532759.4286 1.8003 -4.8692 3 1044.8204681 89502 303B3 8A5 B2 9A4 a-Alanine, conf. I
532759.4286 1.8003 -4.8692 3 1044.8204681 89502 303B3 9A5 B2 8A4 a-Alanine, conf. I
532759.4286 1.8003 -5.4635 3 1044.8204681 89502 303B3 9A5 B2 9A4 a-Alanine, conf. I
532773.9724 1.5561 -5.4358 3 1005.6937633 89502 303A51986 A41985 a-Alanine, conf. I
532773.9724 1.5561 -4.9445 3 1005.6937633 89502 303A51986 A42085 a-Alanine, conf. I
532773.9724 1.5561 -4.9445 3 1005.6937633 89502 303A52086 A41985 a-Alanine, conf. I
532773.9724 1.5561 -5.4358 3 1005.6937633 89502 303A52086 A42085 a-Alanine, conf. I
532784.7877 2.1892 -5.0038 3 320.7475351 89502 303581642 571543 a-Alanine, conf. I
532792.8649 2.1864 -5.0038 3 320.7475351 89502 303581742 571443 a-Alanine, conf. I
532842.1633 15.3242 -5.1427 3 818.5007543 89502 303903259 893158 a-Alanine, conf. I
532957.8157 0.5746 -5.3611 3 576.4201453 89502 303753046 742946 a-Alanine, conf. I
532964.8192 0.4969 -4.3410 3 526.1822423 89502 303703437 693336 a-Alanine, conf. I
532964.8222 0.4969 -5.2776 3 526.1822423 89502 303703436 693336 a-Alanine, conf. I
532964.8333 0.4969 -5.2776 3 526.1822423 89502 303703437 693337 a-Alanine, conf. I
532964.8362 0.4969 -4.3410 3 526.1822423 89502 303703436 693337 a-Alanine, conf. I
532973.5255 0.4514 -5.2479 3 510.9116411 89502 303683632 673532 a-Alanine, conf. I
532973.5255 0.4514 -4.2621 3 510.9116411 89502 303683632 673533 a-Alanine, conf. I
532973.5255 0.4514 -4.2621 3 510.9116411 89502 303683633 673532 a-Alanine, conf. I
532973.5255 0.4514 -5.2479 3 510.9116411 89502 303683633 673533 a-Alanine, conf. I
533033.3155 1.5647 -5.0230 3 967.0704603 89502 303A02674 992773 a-Alanine, conf. I
533033.3166 1.5647 -5.3876 3 967.0704603 89502 303A02774 992773 a-Alanine, conf. I
533033.3178 1.5647 -5.3876 3 967.0704603 89502 303A02674 992673 a-Alanine, conf. I
533033.3189 1.5647 -5.0230 3 967.0704603 89502 303A02774 992673 a-Alanine, conf. I
533063.6906 0.4750 -4.2996 3 518.3305417 89502 303693535 683434 a-Alanine, conf. I
533063.6907 0.4750 -5.2625 3 518.3305417 89502 303693534 683434 a-Alanine, conf. I
533063.6911 0.4750 -4.2996 3 518.3305417 89502 303693534 683435 a-Alanine, conf. I
533063.6911 0.4750 -5.2625 3 518.3305417 89502 303693535 683435 a-Alanine, conf. I
533167.4309 3.7035 -5.4965 3 296.2729327 89502 303542332 532033 a-Alanine, conf. I
533203.5708 5.7343 -5.1938 3 858.6911555 89502 303923359 913358 a-Alanine, conf. I
533243.3521 0.2798 -5.1385 3 468.6745357 89502 303594613 584513 a-Alanine, conf. I
533243.3521 0.2798 -4.0202 3 468.6745357 89502 303594613 584514 a-Alanine, conf. I
533243.3521 0.2798 -4.0202 3 468.6745357 89502 303594614 584513 a-Alanine, conf. I
533243.3521 0.2798 -5.1385 3 468.6745357 89502 303594614 584514 a-Alanine, conf. I
533291.5967 2.6770 -5.3600 3 532.8973447 89502 303742153 732053 a-Alanine, conf. I
533294.3466 2.6751 -5.3600 3 532.8973447 89502 303742253 732153 a-Alanine, conf. I
533334.3264 1.9813 -5.1630 3 923.2271579 89502 303963165 953264 a-Alanine, conf. I
533338.0238 5.3291 -5.3399 3 926.3658573 89502 303953759 943758 a-Alanine, conf. I
533389.7177 1.5212 -5.4548 3 1024.8622651 89502 303A81593 A71592 a-Alanine, conf. I
533389.7177 1.5212 -4.9175 3 1024.8622651 89502 303A81593 A71692 a-Alanine, conf. I
533389.7177 1.5212 -4.9175 3 1024.8622651 89502 303A81693 A71592 a-Alanine, conf. I
533389.7177 1.5212 -5.4548 3 1024.8622651 89502 303A81693 A71692 a-Alanine, conf. I
533391.6622 1.5784 -5.4224 3 993.2019621 89502 303A32281 A22280 a-Alanine, conf. I
533391.6622 1.5784 -4.9752 3 993.2019621 89502 303A32281 A22380 a-Alanine, conf. I
533391.6622 1.5784 -4.9752 3 993.2019621 89502 303A32381 A22280 a-Alanine, conf. I
533391.6622 1.5784 -5.4224 3 993.2019621 89502 303A32381 A22380 a-Alanine, conf. I
533470.3063 2.7485 -5.4673 3 1059.4561705 89502 303B7 3B4 B6 3B3 a-Alanine, conf. I
533470.3063 2.7485 -4.8436 3 1059.4561705 89502 303B7 3B4 B6 4B3 a-Alanine, conf. I
533470.3063 2.7485 -4.8436 3 1059.4561705 89502 303B7 4B4 B6 3B3 a-Alanine, conf. I
533470.3063 2.7485 -5.4673 3 1059.4561705 89502 303B7 4B4 B6 4B3 a-Alanine, conf. I
533530.0578 12.8475 -4.9009 3 508.5492429 89502 303712645 702546 a-Alanine, conf. I
533563.2457 5.0749 -5.3842 3 576.7085459 89502 303762551 752451 a-Alanine, conf. I
533741.2597 1.8180 -5.2935 3 909.7591573 89502 303953363 943362 a-Alanine, conf. I
533745.3834 0.4682 -5.0883 3 461.2724321 89502 3035353 0 5252 0 a-Alanine, conf. I
533745.3834 0.4682 -3.9223 3 461.2724321 89502 3035353 0 5252 1 a-Alanine, conf. I
533745.3834 0.4682 -3.9223 3 461.2724321 89502 3035353 1 5252 0 a-Alanine, conf. I
533745.3834 0.4682 -5.0883 3 461.2724321 89502 3035353 1 5252 1 a-Alanine, conf. I
533779.7451 1.5788 -5.4662 3 1040.2261669 89502 303B111A0 B01199 a-Alanine, conf. I
533779.7451 1.5788 -4.8935 3 1040.2261669 89502 303B111A0 B01299 a-Alanine, conf. I
533779.7451 1.5788 -4.8935 3 1040.2261669 89502 303B112A0 B01199 a-Alanine, conf. I
533779.7451 1.5788 -5.4662 3 1040.2261669 89502 303B112A0 B01299 a-Alanine, conf. I
533819.1534 8.5288 -5.4240 3 612.3472471 89502 303782751 772651 a-Alanine, conf. I
533830.5515 1.9446 -5.4703 3 1051.7771687 89502 303B4 7A7 B3 7A6 a-Alanine, conf. I
533830.5515 1.9446 -4.8694 3 1051.7771687 89502 303B4 7A7 B3 8A6 a-Alanine, conf. I
533830.5515 1.9446 -4.8694 3 1051.7771687 89502 303B4 8A7 B3 7A6 a-Alanine, conf. I
533830.5515 1.9446 -5.4703 3 1051.7771687 89502 303B4 8A7 B3 8A6 a-Alanine, conf. I
533835.4177 1.1875 -5.4067 3 466.8392435 89502 303721359 711259 a-Alanine, conf. I
533835.4177 1.1875 -5.4067 3 466.8392435 89502 303721459 711359 a-Alanine, conf. I
533870.2224 6.0354 -5.3390 3 926.3871573 89502 303953758 943757 a-Alanine, conf. I
533887.1628 4.5585 -5.4537 3 647.8980483 89502 303802951 792851 a-Alanine, conf. I
533893.0550 1.7042 -5.3827 3 590.7385459 89502 303763046 752946 a-Alanine, conf. I
533900.3908 0.2894 -5.1488 3 472.4830363 89502 303604515 594415 a-Alanine, conf. I
533900.3908 0.2894 -4.0398 3 472.4830363 89502 303604515 594416 a-Alanine, conf. I
533900.3908 0.2894 -4.0398 3 472.4830363 89502 303604516 594415 a-Alanine, conf. I
533900.3908 0.2894 -5.1488 3 472.4830363 89502 303604516 594416 a-Alanine, conf. I
534000.0286 1.0651 -4.6263 3 576.4201453 89502 303753045 742946 a-Alanine, conf. I
534029.2417 5.8994 -5.2463 3 927.5628579 89502 303963264 953363 a-Alanine, conf. I
534048.1375 1.5568 -5.4476 3 1015.2753639 89502 303A61888 A51887 a-Alanine, conf. I
534048.1375 1.5568 -4.9431 3 1015.2753639 89502 303A61888 A51987 a-Alanine, conf. I
534048.1375 1.5568 -4.9431 3 1015.2753639 89502 303A61988 A51887 a-Alanine, conf. I
534048.1375 1.5568 -5.4476 3 1015.2753639 89502 303A61988 A51987 a-Alanine, conf. I
534055.1800 4.5897 -5.4145 3 959.1055579 89502 303964057 954056 a-Alanine, conf. I
534059.0284 4.5962 -5.4145 3 959.1056579 89502 303964056 954055 a-Alanine, conf. I
534093.4928 1.5074 -5.3164 3 923.2271579 89502 303963265 953264 a-Alanine, conf. I
534156.7353 1.5388 -5.1178 3 936.2738585 89502 303973067 963166 a-Alanine, conf. I
534159.1973 1.5804 -5.0138 3 978.4366609 89502 303A12576 A02675 a-Alanine, conf. I
534159.1973 1.5804 -5.4036 3 978.4366609 89502 303A12676 A02675 a-Alanine, conf. I
534159.1974 1.5804 -5.4036 3 978.4366609 89502 303A12576 A02575 a-Alanine, conf. I
534159.1974 1.5804 -5.0138 3 978.4366609 89502 303A12676 A02575 a-Alanine, conf. I
534171.7707 1.0666 -5.2272 3 271.2542333 89502 303551144 541045 a-Alanine, conf. I
534171.7710 1.0666 -5.2272 3 271.2542333 89502 303551244 54 945 a-Alanine, conf. I
534220.5860 1.5234 -5.3386 3 936.2738585 89502 303973167 963166 a-Alanine, conf. I
534276.9572 1.5157 -5.3385 3 936.2698585 89502 303973067 963066 a-Alanine, conf. I
534340.8079 1.5108 -5.1175 3 936.2698585 89502 303973167 963066 a-Alanine, conf. I
534391.7515 3.0378 -5.4720 3 1065.1944711 89502 303B8 2B6 B7 2B5 a-Alanine, conf. I
534391.7515 3.0378 -4.8433 3 1065.1944711 89502 303B8 2B6 B7 3B5 a-Alanine, conf. I
534391.7515 3.0378 -4.8433 3 1065.1944711 89502 303B8 3B6 B7 2B5 a-Alanine, conf. I
534391.7515 3.0378 -5.4720 3 1065.1944711 89502 303B8 3B6 B7 3B5 a-Alanine, conf. I
534462.8995 0.4093 -5.0957 3 462.8165327 89502 3035452 2 5351 2 a-Alanine, conf. I
534462.8995 0.4093 -3.9358 3 462.8165327 89502 3035452 2 5351 3 a-Alanine, conf. I
534462.8995 0.4093 -3.9358 3 462.8165327 89502 3035452 3 5351 2 a-Alanine, conf. I
534462.8995 0.4093 -5.0957 3 462.8165327 89502 3035452 3 5351 3 a-Alanine, conf. I
534539.0839 0.3035 -5.1595 3 476.6498369 89502 303614417 604317 a-Alanine, conf. I
534539.0839 0.3035 -4.0606 3 476.6498369 89502 303614417 604318 a-Alanine, conf. I
534539.0839 0.3035 -4.0606 3 476.6498369 89502 303614418 604317 a-Alanine, conf. I
534539.0839 0.3035 -5.1595 3 476.6498369 89502 303614418 604318 a-Alanine, conf. I
534617.8665 1.5289 -5.4647 3 1033.4943657 89502 303A91495 A81494 a-Alanine, conf. I
534617.8665 1.5289 -4.9175 3 1033.4943657 89502 303A91495 A81594 a-Alanine, conf. I
534617.8665 1.5289 -4.9175 3 1033.4943657 89502 303A91595 A81494 a-Alanine, conf. I
534617.8665 1.5289 -5.4647 3 1033.4943657 89502 303A91595 A81594 a-Alanine, conf. I
534657.5587 1.5867 -5.4359 3 1003.5243627 89502 303A42183 A32182 a-Alanine, conf. I
534657.5587 1.5867 -4.9719 3 1003.5243627 89502 303A42183 A32282 a-Alanine, conf. I
534657.5587 1.5867 -4.9719 3 1003.5243627 89502 303A42283 A32182 a-Alanine, conf. I
534657.5587 1.5867 -5.4359 3 1003.5243627 89502 303A42283 A32282 a-Alanine, conf. I
534681.8431 1.5246 -5.3152 3 923.1822579 89502 303963165 953164 a-Alanine, conf. I
534681.9785 1.5516 -5.0892 3 948.9159591 89502 303982969 973068 a-Alanine, conf. I
534686.3097 1.5508 -5.3591 3 948.9159591 89502 303983069 973068 a-Alanine, conf. I
534690.5124 1.5501 -5.3591 3 948.9156591 89502 303982969 972968 a-Alanine, conf. I
534694.8436 1.5493 -5.0891 3 948.9156591 89502 303983069 972968 a-Alanine, conf. I
534754.8204 1.7431 -5.3710 3 500.7294441 89502 303731756 721656 a-Alanine, conf. I
534754.8208 1.7431 -5.3710 3 500.7294441 89502 303731856 721756 a-Alanine, conf. I
534799.6755 0.5469 -4.5374 3 566.2638447 89502 303743144 733043 a-Alanine, conf. I
534856.1568 6.7106 -5.4032 3 594.5063465 89502 303772651 762551 a-Alanine, conf. I
534857.6169 3.4194 -5.3688 3 554.9688453 89502 303752352 742252 a-Alanine, conf. I
534867.2006 13.8352 -5.3638 3 949.7066585 89502 303973364 963463 a-Alanine, conf. I
534871.8222 2.1193 -5.4768 3 1058.5006693 89502 303B5 6A9 B4 6A8 a-Alanine, conf. I
534871.8222 2.1193 -4.8696 3 1058.5006693 89502 303B5 6A9 B4 7A8 a-Alanine, conf. I
534871.8222 2.1193 -4.8696 3 1058.5006693 89502 303B5 7A9 B4 6A8 a-Alanine, conf. I
534871.8222 2.1193 -5.4768 3 1058.5006693 89502 303B5 7A9 B4 7A8 a-Alanine, conf. I
534879.1418 0.5364 -5.3428 3 566.2638447 89502 303743143 733043 a-Alanine, conf. I
534922.2567 16.1094 -5.0155 3 715.7349507 89502 303843154 833053 a-Alanine, conf. I
534925.5339 1.6448 -5.4744 3 1047.9109675 89502 303B210A2 B110A1 a-Alanine, conf. I
534925.5339 1.6448 -4.8938 3 1047.9109675 89502 303B210A2 B111A1 a-Alanine, conf. I
534925.5339 1.6448 -4.8938 3 1047.9109675 89502 303B211A2 B110A1 a-Alanine, conf. I
534925.5339 1.6448 -5.4744 3 1047.9109675 89502 303B211A2 B111A1 a-Alanine, conf. I
534944.1498 3.3603 -5.3686 3 554.9698453 89502 303752452 742352 a-Alanine, conf. I
534964.8083 0.8720 -5.3701 3 253.4097327 89502 30354 945 53 846 a-Alanine, conf. I
534964.8083 0.8720 -5.3701 3 253.4097327 89502 303541045 53 746 a-Alanine, conf. I
535075.2520 0.5375 -5.3425 3 566.2546447 89502 303743144 733044 a-Alanine, conf. I
535154.7182 0.5491 -4.5369 3 566.2546447 89502 303743143 733044 a-Alanine, conf. I
535155.2271 0.3206 -5.1707 3 481.1784375 89502 303624319 614219 a-Alanine, conf. I
535155.2271 0.3206 -4.0825 3 481.1784375 89502 303624319 614220 a-Alanine, conf. I
535155.2271 0.3206 -4.0825 3 481.1784375 89502 303624320 614219 a-Alanine, conf. I
535155.2271 0.3206 -5.1707 3 481.1784375 89502 303624320 614220 a-Alanine, conf. I
535175.0985 0.3611 -5.1036 3 464.7061333 89502 3035551 4 5450 4 a-Alanine, conf. I
535175.0985 0.3611 -3.9501 3 464.7061333 89502 3035551 4 5450 5 a-Alanine, conf. I
535175.0985 0.3611 -3.9501 3 464.7061333 89502 3035551 5 5450 4 a-Alanine, conf. I
535175.0985 0.3611 -5.1036 3 464.7061333 89502 3035551 5 5450 5 a-Alanine, conf. I
535235.7130 2.9526 -4.9357 3 396.2657381 89502 303632341 622042 a-Alanine, conf. I
535251.9463 2.8995 -5.2554 3 891.5422567 89502 303943262 933261 a-Alanine, conf. I
535261.5609 4.0367 -5.3816 3 576.7346459 89502 303762651 752551 a-Alanine, conf. I
535273.3461 1.1262 -5.4241 3 461.1131435 89502 303721260 711160 a-Alanine, conf. I
535273.3461 1.1262 -5.4241 3 461.1131435 89502 303721360 711260 a-Alanine, conf. I
535278.8115 3.3554 -5.4763 3 1070.6894717 89502 303B9 1B8 B8 1B7 a-Alanine, conf. I
535278.8115 3.3554 -4.8428 3 1070.6894717 89502 303B9 1B8 B8 2B7 a-Alanine, conf. I
535278.8115 3.3554 -4.8428 3 1070.6894717 89502 303B9 2B8 B8 1B7 a-Alanine, conf. I
535278.8115 3.3554 -5.4763 3 1070.6894717 89502 303B9 2B8 B8 2B7 a-Alanine, conf. I
535313.7444 0.5463 -5.4895 3 283.1266321 89502 303532231 521934 a-Alanine, conf. I
535314.6541 1.5563 -5.4590 3 1024.6285645 89502 303A71790 A61789 a-Alanine, conf. I
535314.6541 1.5563 -4.9424 3 1024.6285645 89502 303A71790 A61889 a-Alanine, conf. I
535314.6541 1.5563 -4.9424 3 1024.6285645 89502 303A71890 A61789 a-Alanine, conf. I
535314.6541 1.5563 -5.4590 3 1024.6285645 89502 303A71890 A61889 a-Alanine, conf. I
535345.4723 1.5950 -5.4190 3 989.5395615 89502 303A22478 A12477 a-Alanine, conf. I
535345.4723 1.5950 -5.0068 3 989.5395615 89502 303A22478 A12577 a-Alanine, conf. I
535345.4723 1.5950 -5.0068 3 989.5395615 89502 303A22578 A12477 a-Alanine, conf. I
535345.4723 1.5950 -5.4190 3 989.5395615 89502 303A22578 A12577 a-Alanine, conf. I
535411.4484 5.3129 -5.3229 3 921.9144573 89502 303953660 943659 a-Alanine, conf. I
535436.5831 1.5720 -5.0690 3 961.2030597 89502 303992871 982970 a-Alanine, conf. I
535436.8282 1.5720 -5.3781 3 961.2030597 89502 303992971 982970 a-Alanine, conf. I
535437.0847 1.5720 -5.3781 3 961.2030597 89502 303992871 982870 a-Alanine, conf. I
535437.3298 1.5719 -5.0690 3 961.2030597 89502 303992971 982870 a-Alanine, conf. I
535441.0095 2.0251 -5.1592 3 923.1822579 89502 303963265 953164 a-Alanine, conf. I
535636.2878 4.9253 -5.3963 3 953.8392579 89502 303963958 953957 a-Alanine, conf. I
535663.8497 4.9690 -5.3963 3 953.8401579 89502 303963957 953956 a-Alanine, conf. I
535743.5336 0.3395 -5.1823 3 486.0722381 89502 303634221 624121 a-Alanine, conf. I
535743.5336 0.3395 -4.1059 3 486.0722381 89502 303634221 624122 a-Alanine, conf. I
535743.5336 0.3395 -4.1059 3 486.0722381 89502 303634222 624121 a-Alanine, conf. I
535743.5336 0.3395 -5.1823 3 486.0722381 89502 303634222 624122 a-Alanine, conf. I
535747.1094 2.5396 -4.9796 3 334.8532357 89502 303591742 581643 a-Alanine, conf. I
535782.2457 2.5272 -4.9795 3 334.8532357 89502 303591842 581543 a-Alanine, conf. I
535805.8412 2.1594 -5.0795 3 387.2451375 89502 303622439 612140 a-Alanine, conf. I
535826.5737 1.5457 -5.4743 3 1041.9002663 89502 303B01397 A91396 a-Alanine, conf. I
535826.5737 1.5457 -4.9177 3 1041.9002663 89502 303B01397 A91496 a-Alanine, conf. I
535826.5737 1.5457 -4.9177 3 1041.9002663 89502 303B01497 A91396 a-Alanine, conf. I
535826.5737 1.5457 -5.4743 3 1041.9002663 89502 303B01497 A91496 a-Alanine, conf. I
535828.5282 9.2682 -5.2328 3 879.2402561 89502 303933459 923458 a-Alanine, conf. I
535880.9734 0.3246 -5.1119 3 466.9427339 89502 3035650 6 5549 6 a-Alanine, conf. I
535880.9734 0.3246 -3.9653 3 466.9427339 89502 3035650 6 5549 7 a-Alanine, conf. I
535880.9734 0.3246 -3.9653 3 466.9427339 89502 3035650 7 5549 6 a-Alanine, conf. I
535880.9734 0.3246 -5.1119 3 466.9427339 89502 3035650 7 5549 7 a-Alanine, conf. I
535882.1403 2.3247 -5.4828 3 1064.9888699 89502 303B6 5B1 B5 5B0 a-Alanine, conf. I
535882.1403 2.3247 -4.8698 3 1064.9888699 89502 303B6 5B1 B5 6B0 a-Alanine, conf. I
535882.1403 2.3247 -4.8698 3 1064.9888699 89502 303B6 6B1 B5 5B0 a-Alanine, conf. I
535882.1403 2.3247 -5.4828 3 1064.9888699 89502 303B6 6B1 B5 6B0 a-Alanine, conf. I
535931.7685 1.5920 -5.4488 3 1013.6110633 89502 303A52085 A42084 a-Alanine, conf. I
535931.7685 1.5920 -4.9695 3 1013.6110633 89502 303A52085 A42184 a-Alanine, conf. I
535931.7685 1.5920 -4.9695 3 1013.6110633 89502 303A52185 A42084 a-Alanine, conf. I
535931.7685 1.5920 -5.4488 3 1013.6110633 89502 303A52185 A42184 a-Alanine, conf. I
535935.6532 2.4090 -5.3644 3 528.3092447 89502 303742054 731954 a-Alanine, conf. I
535935.9415 2.4088 -5.3644 3 528.3092447 89502 303742154 732054 a-Alanine, conf. I
536044.9966 1.7359 -5.4822 3 1055.3664681 89502 303B3 9A4 B2 9A3 a-Alanine, conf. I
536044.9966 1.7359 -4.8943 3 1055.3664681 89502 303B3 9A4 B210A3 a-Alanine, conf. I
536044.9966 1.7359 -4.8943 3 1055.3664681 89502 303B310A4 B2 9A3 a-Alanine, conf. I
536044.9966 1.7359 -5.4822 3 1055.3664681 89502 303B310A4 B210A3 a-Alanine, conf. I
536130.6837 3.7007 -5.4802 3 1075.9383723 89502 303C0 0C0 B9 0B9 a-Alanine, conf. I
536130.6837 3.7007 -4.8421 3 1075.9383723 89502 303C0 0C0 B9 1B9 a-Alanine, conf. I
536130.6837 3.7007 -4.8421 3 1075.9383723 89502 303C0 1C0 B9 0B9 a-Alanine, conf. I
536130.6837 3.7007 -5.4802 3 1075.9383723 89502 303C0 1C0 B9 1B9 a-Alanine, conf. I
536240.2675 2.4255 -5.4022 3 605.2062465 89502 303773047 762947 a-Alanine, conf. I
536297.3053 0.3595 -5.1944 3 491.3358387 89502 303644123 634023 a-Alanine, conf. I
536297.3053 0.3595 -4.1306 3 491.3358387 89502 303644123 634024 a-Alanine, conf. I
536297.3053 0.3595 -4.1306 3 491.3358387 89502 303644124 634023 a-Alanine, conf. I
536297.3053 0.3595 -5.1944 3 491.3358387 89502 303644124 634024 a-Alanine, conf. I
536297.6584 2.9699 -5.2984 3 913.7650573 89502 303953462 943461 a-Alanine, conf. I
536300.7052 4.0821 -5.4918 3 994.0658585 89502 303974355 964354 a-Alanine, conf. I
536300.7177 4.0821 -5.4918 3 994.0658585 89502 303974354 964353 a-Alanine, conf. I
536373.6012 1.5898 -5.0542 3 973.1727603 89502 303A02773 992872 a-Alanine, conf. I
536373.6130 1.5898 -5.3960 3 973.1727603 89502 303A02873 992872 a-Alanine, conf. I
536373.6262 1.5898 -5.3960 3 973.1727603 89502 303A02773 992772 a-Alanine, conf. I
536373.6380 1.5898 -5.0542 3 973.1727603 89502 303A02873 992772 a-Alanine, conf. I
536457.7666 3.5917 -5.1598 3 375.5212369 89502 303612438 602139 a-Alanine, conf. I
536522.3722 9.6145 -5.2766 3 900.3534567 89502 303943559 933558 a-Alanine, conf. I
536569.6347 1.5563 -5.4700 3 1033.7547651 89502 303A81692 A71691 a-Alanine, conf. I
536569.6347 1.5563 -4.9420 3 1033.7547651 89502 303A81692 A71791 a-Alanine, conf. I
536569.6347 1.5563 -4.9420 3 1033.7547651 89502 303A81792 A71691 a-Alanine, conf. I
536569.6347 1.5563 -5.4700 3 1033.7547651 89502 303A81792 A71791 a-Alanine, conf. I
536571.9947 1.6080 -5.4337 3 1000.3894621 89502 303A32380 A22379 a-Alanine, conf. I
536571.9947 1.6080 -5.0015 3 1000.3894621 89502 303A32380 A22479 a-Alanine, conf. I
536571.9947 1.6080 -5.0015 3 1000.3894621 89502 303A32480 A22379 a-Alanine, conf. I
536571.9947 1.6080 -5.4337 3 1000.3894621 89502 303A32480 A22479 a-Alanine, conf. I
536579.2793 0.3002 -5.1207 3 469.5276345 89502 3035749 8 5648 8 a-Alanine, conf. I
536579.2793 0.3002 -3.9814 3 469.5276345 89502 3035749 8 5648 9 a-Alanine, conf. I
536579.2793 0.3002 -3.9814 3 469.5276345 89502 3035749 9 5648 8 a-Alanine, conf. I
536579.2793 0.3002 -5.1207 3 469.5276345 89502 3035749 9 5648 9 a-Alanine, conf. I
536587.9602 1.6553 -5.0783 3 302.8488345 89502 303571443 561344 a-Alanine, conf. I
536588.1070 1.6552 -5.0783 3 302.8488345 89502 303571543 561244 a-Alanine, conf. I
536599.9533 0.5343 -4.4688 3 556.6838441 89502 303733242 723141 a-Alanine, conf. I
536604.5422 0.5352 -5.3247 3 556.6838441 89502 303733241 723141 a-Alanine, conf. I
536608.2183 1.5772 -5.3805 3 495.5309441 89502 303731657 721557 a-Alanine, conf. I
536608.2183 1.5772 -5.3805 3 495.5309441 89502 303731757 721657 a-Alanine, conf. I
536617.7732 0.5377 -5.3247 3 556.6832441 89502 303733242 723142 a-Alanine, conf. I
536622.3620 0.5387 -4.4688 3 556.6832441 89502 303733241 723142 a-Alanine, conf. I
536634.4395 1.0996 -5.4444 3 455.2368435 89502 303721161 711061 a-Alanine, conf. I
536634.4395 1.0996 -5.4444 3 455.2368435 89502 303721261 711161 a-Alanine, conf. I
536756.4551 4.4783 -5.3083 3 917.7511573 89502 303953561 943560 a-Alanine, conf. I
536807.9763 0.3805 -5.2069 3 496.9740393 89502 303654025 643925 a-Alanine, conf. I
536807.9763 0.3805 -4.1570 3 496.9740393 89502 303654025 643926 a-Alanine, conf. I
536807.9763 0.3805 -4.1570 3 496.9740393 89502 303654026 643925 a-Alanine, conf. I
536807.9763 0.3805 -5.2069 3 496.9740393 89502 303654026 643926 a-Alanine, conf. I
536860.4848 2.5605 -5.4885 3 1071.2396705 89502 303B7 4B3 B6 4B2 a-Alanine, conf. I
536860.4848 2.5605 -4.8699 3 1071.2396705 89502 303B7 4B3 B6 5B2 a-Alanine, conf. I
536860.4848 2.5605 -4.8699 3 1071.2396705 89502 303B7 5B3 B6 4B2 a-Alanine, conf. I
536860.4848 2.5605 -5.4885 3 1071.2396705 89502 303B7 5B3 B6 5B2 a-Alanine, conf. I
536909.5304 3.3433 -5.3963 3 598.1223465 89502 303772850 762750 a-Alanine, conf. I
537013.6805 1.5757 -5.4834 3 1050.0794669 89502 303B11299 B01298 a-Alanine, conf. I
537013.6805 1.5757 -4.9182 3 1050.0794669 89502 303B11299 B01398 a-Alanine, conf. I
537013.6805 1.5757 -4.9182 3 1050.0794669 89502 303B11399 B01298 a-Alanine, conf. I
537013.6805 1.5757 -5.4834 3 1050.0794669 89502 303B11399 B01398 a-Alanine, conf. I
537136.7286 1.8548 -5.4896 3 1062.5913687 89502 303B4 8A6 B3 8A5 a-Alanine, conf. I
537136.7286 1.8548 -4.8948 3 1062.5913687 89502 303B4 8A6 B3 9A5 a-Alanine, conf. I
537136.7286 1.8548 -4.8948 3 1062.5913687 89502 303B4 9A6 B3 8A5 a-Alanine, conf. I
537136.7286 1.8548 -5.4896 3 1062.5913687 89502 303B4 9A6 B3 9A5 a-Alanine, conf. I
537207.3992 1.5945 -5.4613 3 1023.4651639 89502 303A61987 A51986 a-Alanine, conf. I
537207.3992 1.5945 -4.9680 3 1023.4651639 89502 303A61987 A52086 a-Alanine, conf. I
537207.3992 1.5945 -4.9680 3 1023.4651639 89502 303A62087 A51986 a-Alanine, conf. I
537207.3992 1.5945 -5.4613 3 1023.4651639 89502 303A62087 A52086 a-Alanine, conf. I
537264.4618 0.4024 -5.2198 3 502.9931399 89502 303663927 653827 a-Alanine, conf. I
537264.4618 0.4024 -4.1851 3 502.9931399 89502 303663927 653828 a-Alanine, conf. I
537264.4618 0.4024 -4.1851 3 502.9931399 89502 303663928 653827 a-Alanine, conf. I
537264.4618 0.4024 -5.2198 3 502.9931399 89502 303663928 653828 a-Alanine, conf. I
537268.4786 0.2877 -5.1299 3 472.4627351 89502 303584810 574710 a-Alanine, conf. I
537268.4786 0.2877 -3.9983 3 472.4627351 89502 303584810 574711 a-Alanine, conf. I
537268.4786 0.2877 -3.9983 3 472.4627351 89502 303584811 574710 a-Alanine, conf. I
537268.4786 0.2877 -5.1299 3 472.4627351 89502 303584811 574711 a-Alanine, conf. I
537390.0498 4.3000 -5.4727 3 988.1150585 89502 303974256 964255 a-Alanine, conf. I
537390.1672 4.3002 -5.4727 3 988.1150585 89502 303974255 964254 a-Alanine, conf. I
537432.4267 1.6063 -5.0431 3 984.8505609 89502 303A12675 A02774 a-Alanine, conf. I
537432.4272 1.6063 -5.4130 3 984.8505609 89502 303A12775 A02774 a-Alanine, conf. I
537432.4278 1.6063 -5.4130 3 984.8505609 89502 303A12675 A02674 a-Alanine, conf. I
537432.4283 1.6063 -5.0431 3 984.8505609 89502 303A12775 A02674 a-Alanine, conf. I
537448.9678 0.6572 -5.3775 3 590.5550459 89502 303763047 752947 a-Alanine, conf. I
537497.0983 5.3034 -5.3784 3 948.8481579 89502 303963859 953858 a-Alanine, conf. I
537521.4382 0.5328 -4.4127 3 547.6541435 89502 303723340 713239 a-Alanine, conf. I
537521.6466 0.5328 -5.3078 3 547.6541435 89502 303723339 713239 a-Alanine, conf. I
537522.3285 0.5330 -5.3078 3 547.6541435 89502 303723340 713240 a-Alanine, conf. I
537522.5368 0.5331 -4.4127 3 547.6541435 89502 303723339 713240 a-Alanine, conf. I
537652.2053 0.4252 -5.2332 3 509.4002405 89502 303673829 663729 a-Alanine, conf. I
537652.2053 0.4252 -4.2153 3 509.4002405 89502 303673829 663730 a-Alanine, conf. I
537652.2053 0.4252 -4.2153 3 509.4002405 89502 303673830 663729 a-Alanine, conf. I
537652.2053 0.4252 -5.2332 3 509.4002405 89502 303673830 663730 a-Alanine, conf. I
537670.5033 5.5572 -5.3781 3 948.8546579 89502 303963858 953857 a-Alanine, conf. I
537693.6416 1.9104 -5.3955 3 601.4978465 89502 303772949 762849 a-Alanine, conf. I
537788.0879 5.7171 -4.9345 3 393.0578381 89502 303632142 622043 a-Alanine, conf. I
537805.9027 2.8261 -4.8699 3 1077.2508711 89502 303B8 3B5 B7 4B4 a-Alanine, conf. I
537805.9027 2.8261 -4.8699 3 1077.2508711 89502 303B8 4B5 B7 3B4 a-Alanine, conf. I
537809.8121 1.5592 -5.4805 3 1042.6542657 89502 303A91594 A81593 a-Alanine, conf. I
537809.8121 1.5592 -4.9420 3 1042.6542657 89502 303A91594 A81693 a-Alanine, conf. I
537809.8121 1.5592 -4.9420 3 1042.6542657 89502 303A91694 A81593 a-Alanine, conf. I
537809.8121 1.5592 -5.4805 3 1042.6542657 89502 303A91694 A81693 a-Alanine, conf. I
537824.2624 1.6187 -5.4479 3 1010.9939627 89502 303A42282 A32281 a-Alanine, conf. I
537824.2624 1.6187 -4.9977 3 1010.9939627 89502 303A42282 A32381 a-Alanine, conf. I
537824.2624 1.6187 -4.9977 3 1010.9939627 89502 303A42382 A32281 a-Alanine, conf. I
537824.2624 1.6187 -5.4479 3 1010.9939627 89502 303A42382 A32381 a-Alanine, conf. I
537829.1814 1.7422 -5.1706 3 941.0426585 89502 303973166 963265 a-Alanine, conf. I
537868.3838 2.7089 -5.2848 3 909.3962573 89502 303953263 943262 a-Alanine, conf. I
537880.7645 8.0926 -5.3187 3 922.0300573 89502 303953659 943658 a-Alanine, conf. I
537913.9134 3.0924 -5.4219 3 619.9387471 89502 303783048 772948 a-Alanine, conf. I
537927.3444 1.1088 -5.4682 3 449.2127435 89502 303721062 71 962 a-Alanine, conf. I
537927.3444 1.1088 -5.4682 3 449.2127435 89502 303721162 711062 a-Alanine, conf. I
537946.6713 0.2855 -5.1395 3 475.7498357 89502 303594712 584612 a-Alanine, conf. I
537946.6713 0.2855 -4.0163 3 475.7498357 89502 303594712 584613 a-Alanine, conf. I
537946.6713 0.2855 -4.0163 3 475.7498357 89502 303594713 584612 a-Alanine, conf. I
537946.6713 0.2855 -5.1395 3 475.7498357 89502 303594713 584613 a-Alanine, conf. I
537951.7316 0.4488 -5.2471 3 516.2041411 89502 303683731 673631 a-Alanine, conf. I
537951.7316 0.4488 -4.2478 3 516.2041411 89502 303683731 673632 a-Alanine, conf. I
537951.7316 0.4488 -4.2478 3 516.2041411 89502 303683732 673631 a-Alanine, conf. I
537951.7316 0.4488 -5.2471 3 516.2041411 89502 303683732 673632 a-Alanine, conf. I
537992.3730 0.5179 -4.3644 3 539.1201429 89502 303713438 703337 a-Alanine, conf. I
537992.3806 0.5179 -5.2918 3 539.1201429 89502 303713437 703337 a-Alanine, conf. I
537992.4083 0.5179 -5.2918 3 539.1201429 89502 303713438 703338 a-Alanine, conf. I
537992.4159 0.5179 -4.3644 3 539.1201429 89502 303713437 703338 a-Alanine, conf. I
538061.0706 0.7229 -5.0196 3 399.0704381 89502 303632440 622141 a-Alanine, conf. I
538094.6684 1.6892 -5.3190 3 927.5628579 89502 303963364 953363 a-Alanine, conf. I
538136.3607 0.4730 -5.2615 3 523.4157417 89502 303693633 683533 a-Alanine, conf. I
538136.3607 0.4730 -4.2830 3 523.4157417 89502 303693633 683534 a-Alanine, conf. I
538136.3607 0.4730 -4.2830 3 523.4157417 89502 303693634 683533 a-Alanine, conf. I
538136.3607 0.4730 -5.2615 3 523.4157417 89502 303693634 683534 a-Alanine, conf. I
538140.6212 2.9603 -4.9599 3 349.1440363 89502 303601842 591743 a-Alanine, conf. I
538161.6210 17.7882 -5.1360 3 801.3832537 89502 303893258 883157 a-Alanine, conf. I
538168.4018 0.4967 -4.3216 3 531.0485423 89502 303703536 693435 a-Alanine, conf. I
538168.4020 0.4967 -5.2763 3 531.0485423 89502 303703535 693435 a-Alanine, conf. I
538168.4029 0.4967 -5.2763 3 531.0485423 89502 303703536 693436 a-Alanine, conf. I
538168.4031 0.4967 -4.3216 3 531.0485423 89502 303703535 693436 a-Alanine, conf. I
538177.2836 1.6232 -5.4922 3 1058.0311675 89502 303B211A1 B111A0 a-Alanine, conf. I
538177.2836 1.6232 -4.9187 3 1058.0311675 89502 303B211A1 B112A0 a-Alanine, conf. I
538177.2836 1.6232 -4.9187 3 1058.0311675 89502 303B212A1 B111A0 a-Alanine, conf. I
538177.2836 1.6232 -5.4922 3 1058.0311675 89502 303B212A1 B112A0 a-Alanine, conf. I
538199.4503 2.0035 -4.8953 3 1069.5838693 89502 303B5 7A8 B4 8A7 a-Alanine, conf. I
538199.4503 2.0035 -4.8953 3 1069.5838693 89502 303B5 8A8 B4 7A7 a-Alanine, conf. I
538247.4237 3.0202 -5.3710 3 550.6860453 89502 303752253 742153 a-Alanine, conf. I
538250.3711 1.5420 -5.3423 3 941.0426585 89502 303973266 963265 a-Alanine, conf. I
538258.8765 3.0120 -5.3709 3 550.6861453 89502 303752353 742253 a-Alanine, conf. I
538281.7208 2.9100 -4.9598 3 349.1438363 89502 303601942 591643 a-Alanine, conf. I
538304.9099 2.1739 -5.3699 3 523.5292447 89502 303741955 731855 a-Alanine, conf. I
538304.9366 2.1739 -5.3699 3 523.5292447 89502 303742055 731955 a-Alanine, conf. I
538331.8221 1.4336 -5.3915 3 490.1682441 89502 303731558 721458 a-Alanine, conf. I
538331.8221 1.4336 -5.3915 3 490.1682441 89502 303731658 721558 a-Alanine, conf. I
538410.9885 1.5751 -5.1313 3 954.0935591 89502 303983068 973167 a-Alanine, conf. I
538444.5409 1.5675 -5.3644 3 954.0935591 89502 303983168 973167 a-Alanine, conf. I
538474.8392 1.5628 -5.3643 3 954.0914591 89502 303983068 973067 a-Alanine, conf. I
538478.9335 1.5949 -5.4733 3 1033.0892645 89502 303A71889 A61888 a-Alanine, conf. I
538478.9335 1.5949 -4.9670 3 1033.0892645 89502 303A71889 A61988 a-Alanine, conf. I
538478.9335 1.5949 -4.9670 3 1033.0892645 89502 303A71989 A61888 a-Alanine, conf. I
538478.9335 1.5949 -5.4733 3 1033.0892645 89502 303A71989 A61988 a-Alanine, conf. I
538496.8092 9.7056 -4.9517 3 435.2362399 89502 303662343 652244 a-Alanine, conf. I
538508.3916 1.5583 -5.1312 3 954.0914591 89502 303983168 973067 a-Alanine, conf. I
538572.9955 1.6220 -5.4291 3 996.2542615 89502 303A22577 A12576 a-Alanine, conf. I
538572.9955 1.6220 -5.0348 3 996.2542615 89502 303A22577 A12676 a-Alanine, conf. I
538572.9955 1.6220 -5.0348 3 996.2542615 89502 303A22677 A12576 a-Alanine, conf. I
538572.9955 1.6220 -5.4291 3 996.2542615 89502 303A22677 A12676 a-Alanine, conf. I
538588.3478 1.5311 -5.3417 3 941.0173585 89502 303973166 963165 a-Alanine, conf. I
538611.5076 0.2916 -5.1496 3 479.3912363 89502 303604614 594514 a-Alanine, conf. I
538611.5076 0.2916 -4.0353 3 479.3912363 89502 303604614 594515 a-Alanine, conf. I
538611.5076 0.2916 -4.0353 3 479.3912363 89502 303604615 594514 a-Alanine, conf. I
538611.5076 0.2916 -5.1496 3 479.3912363 89502 303604615 594515 a-Alanine, conf. I
538630.6584 4.5550 -5.4540 3 982.3951585 89502 303974157 964156 a-Alanine, conf. I
538631.6607 4.5568 -5.4540 3 982.3952585 89502 303974156 964155 a-Alanine, conf. I
538656.2206 12.5499 -4.8784 3 538.6930441 89502 303732746 722647 a-Alanine, conf. I
538717.5011 3.1209 -4.8697 3 1083.0198717 89502 303B9 2B7 B8 3B6 a-Alanine, conf. I
538717.5011 3.1209 -4.8697 3 1083.0198717 89502 303B9 3B7 B8 2B6 a-Alanine, conf. I
538845.8284 3.5484 -5.2164 3 876.4768561 89502 303933360 923359 a-Alanine, conf. I
538860.5037 1.2433 -5.1744 3 284.8744339 89502 303561244 551145 a-Alanine, conf. I
538860.5054 1.2433 -5.1744 3 284.8744339 89502 303561344 551045 a-Alanine, conf. I
538984.0298 1.5944 -5.1056 3 966.7511597 89502 303992970 983069 a-Alanine, conf. I
538986.2099 1.5940 -5.3848 3 966.7511597 89502 303993070 983069 a-Alanine, conf. I
538988.3610 1.5936 -5.3848 3 966.7509597 89502 303992970 982969 a-Alanine, conf. I
538990.5412 1.5932 -5.1056 3 966.7509597 89502 303993070 982969 a-Alanine, conf. I
539009.5376 1.6992 -5.1685 3 941.0173585 89502 303973266 963165 a-Alanine, conf. I
539016.5567 3.9736 -5.3826 3 572.8097459 89502 303762452 752352 a-Alanine, conf. I
539020.3939 0.6407 -4.5712 3 580.1400453 89502 303753145 743044 a-Alanine, conf. I
539032.4004 1.5680 -5.4907 3 1051.3272663 89502 303B01496 A91495 a-Alanine, conf. I
539032.4004 1.5680 -4.9423 3 1051.3272663 89502 303B01496 A91595 a-Alanine, conf. I
539032.4004 1.5680 -4.9423 3 1051.3272663 89502 303B01596 A91495 a-Alanine, conf. I
539032.4004 1.5680 -5.4907 3 1051.3272663 89502 303B01596 A91595 a-Alanine, conf. I
539091.4573 1.6265 -5.4615 3 1021.3586633 89502 303A52184 A42183 a-Alanine, conf. I
539091.4573 1.6265 -4.9949 3 1021.3586633 89502 303A52184 A42283 a-Alanine, conf. I
539091.4573 1.6265 -4.9949 3 1021.3586633 89502 303A52284 A42183 a-Alanine, conf. I
539091.4573 1.6265 -5.4615 3 1021.3586633 89502 303A52284 A42283 a-Alanine, conf. I
539144.3140 0.4506 -5.0983 3 470.8672327 89502 3035453 1 5352 1 a-Alanine, conf. I
539144.3140 0.4506 -3.9352 3 470.8672327 89502 3035453 1 5352 2 a-Alanine, conf. I
539144.3140 0.4506 -3.9352 3 470.8672327 89502 3035453 2 5352 1 a-Alanine, conf. I
539144.3140 0.4506 -5.0983 3 470.8672327 89502 3035453 2 5352 2 a-Alanine, conf. I
539159.4074 3.2868 -5.4409 3 634.9411477 89502 303793049 782949 a-Alanine, conf. I
539182.5943 0.5866 -5.3592 3 580.1400453 89502 303753144 743044 a-Alanine, conf. I
539231.9867 2.1829 -4.8957 3 1076.3420699 89502 303B6 6B0 B5 7A9 a-Alanine, conf. I
539231.9867 2.1829 -4.8957 3 1076.3420699 89502 303B6 7B0 B5 6A9 a-Alanine, conf. I
539260.0741 0.3036 -5.1602 3 483.3892369 89502 303614516 604416 a-Alanine, conf. I
539260.0741 0.3036 -4.0553 3 483.3892369 89502 303614516 604417 a-Alanine, conf. I
539260.0741 0.3036 -4.0553 3 483.3892369 89502 303614517 604416 a-Alanine, conf. I
539260.0741 0.3036 -5.1602 3 483.3892369 89502 303614517 604417 a-Alanine, conf. I
539315.6888 1.6925 -4.9194 3 1065.7541681 89502 303B310A3 B211A2 a-Alanine, conf. I
539315.6888 1.6925 -4.9194 3 1065.7541681 89502 303B311A3 B210A2 a-Alanine, conf. I
539318.9187 3.7682 -5.3821 3 572.8136459 89502 303762552 752452 a-Alanine, conf. I
539394.8354 1.7840 -4.6688 3 590.5550459 89502 303763046 752947 a-Alanine, conf. I
539448.6243 4.1526 -5.3969 3 594.5890465 89502 303772751 762651 a-Alanine, conf. I
539563.3153 0.5551 -5.3586 3 580.1219453 89502 303753145 743045 a-Alanine, conf. I
539594.4392 3.4442 -4.8694 3 1088.5443723 89502 303C0 1B9 B9 2B8 a-Alanine, conf. I
539594.4392 3.4442 -4.8694 3 1088.5443723 89502 303C0 2B9 B9 1B8 a-Alanine, conf. I
539600.0480 5.5750 -5.3607 3 944.1561579 89502 303963760 953759 a-Alanine, conf. I
539724.6527 3.5102 -4.9452 3 363.6134369 89502 303611942 601843 a-Alanine, conf. I
539724.8478 4.6368 -5.2517 3 363.9132363 89502 303602437 592138 a-Alanine, conf. I
539725.5157 0.5822 -4.5702 3 580.1219453 89502 303753144 743045 a-Alanine, conf. I
539741.8672 1.5943 -5.4849 3 1042.4847651 89502 303A81791 A71790 a-Alanine, conf. I
539741.8672 1.5943 -4.9666 3 1042.4847651 89502 303A81791 A71890 a-Alanine, conf. I
539741.8672 1.5943 -4.9666 3 1042.4847651 89502 303A81891 A71790 a-Alanine, conf. I
539741.8672 1.5943 -5.4849 3 1042.4847651 89502 303A81891 A71890 a-Alanine, conf. I
539768.6710 1.6365 -5.4446 3 1007.3967621 89502 303A32479 A22478 a-Alanine, conf. I
539768.6710 1.6365 -5.0285 3 1007.3967621 89502 303A32479 A22578 a-Alanine, conf. I
539768.6710 1.6365 -5.0285 3 1007.3967621 89502 303A32579 A22478 a-Alanine, conf. I
539768.6710 1.6365 -5.4446 3 1007.3967621 89502 303A32579 A22578 a-Alanine, conf. I
539786.4080 1.6144 -5.0873 3 979.0632603 89502 303A02872 992971 a-Alanine, conf. I
539786.5270 1.6144 -5.4038 3 979.0632603 89502 303A02972 992971 a-Alanine, conf. I
539786.6531 1.6144 -5.4038 3 979.0632603 89502 303A02872 992871 a-Alanine, conf. I
539786.7720 1.6144 -5.0873 3 979.0632603 89502 303A02972 992871 a-Alanine, conf. I
539858.7766 0.3958 -5.1059 3 472.5958333 89502 3035552 3 5451 3 a-Alanine, conf. I
539858.7766 0.3958 -3.9491 3 472.5958333 89502 3035552 3 5451 4 a-Alanine, conf. I
539858.7766 0.3958 -3.9491 3 472.5958333 89502 3035552 4 5451 3 a-Alanine, conf. I
539858.7766 0.3958 -5.1059 3 472.5958333 89502 3035552 4 5451 4 a-Alanine, conf. I
539888.7457 0.3194 -5.1712 3 487.7470375 89502 303624418 614318 a-Alanine, conf. I
539888.7457 0.3194 -4.0766 3 487.7470375 89502 303624418 614319 a-Alanine, conf. I
539888.7457 0.3194 -4.0766 3 487.7470375 89502 303624419 614318 a-Alanine, conf. I
539888.7457 0.3194 -5.1712 3 487.7470375 89502 303624419 614319 a-Alanine, conf. I
539944.4138 1.3149 -5.4044 3 484.6460441 89502 303731459 721359 a-Alanine, conf. I
539944.4138 1.3149 -5.4044 3 484.6460441 89502 303731559 721459 a-Alanine, conf. I
539954.4615 3.9844 -5.2422 3 945.5117585 89502 303973265 963364 a-Alanine, conf. I
539977.5593 4.3340 -4.9362 3 378.2540375 89502 303622042 611943 a-Alanine, conf. I
540057.9899 0.9657 -5.2988 3 266.8600333 89502 303551045 54 946 a-Alanine, conf. I
540057.9899 0.9657 -5.2988 3 266.8600333 89502 303551145 54 846 a-Alanine, conf. I
540064.6974 4.8610 -5.4356 3 976.9196585 89502 303974058 964057 a-Alanine, conf. I
540072.4109 4.8742 -5.4356 3 976.9199585 89502 303974057 964056 a-Alanine, conf. I
540233.2528 2.3933 -4.8961 3 1082.8639705 89502 303B7 5B2 B6 6B1 a-Alanine, conf. I
540233.2528 2.3933 -4.8961 3 1082.8639705 89502 303B7 6B2 B6 5B1 a-Alanine, conf. I
540234.9929 1.5863 -4.9429 3 1059.7735669 89502 303B11398 B01497 a-Alanine, conf. I
540234.9929 1.5863 -4.9429 3 1059.7735669 89502 303B11498 B01397 a-Alanine, conf. I
540245.8346 3.3240 -4.9446 3 363.6128369 89502 303612042 601743 a-Alanine, conf. I
540365.2685 1.6314 -5.4746 3 1031.4877639 89502 303A62086 A52085 a-Alanine, conf. I
540365.2685 1.6314 -4.9930 3 1031.4877639 89502 303A62086 A52185 a-Alanine, conf. I
540365.2685 1.6314 -4.9930 3 1031.4877639 89502 303A62186 A52085 a-Alanine, conf. I
540365.2685 1.6314 -5.4746 3 1031.4877639 89502 303A62186 A52185 a-Alanine, conf. I
540427.3735 1.7873 -4.9201 3 1073.2470687 89502 303B4 9A5 B310A4 a-Alanine, conf. I
540427.3735 1.7873 -4.9201 3 1073.2470687 89502 303B410A5 B3 9A4 a-Alanine, conf. I
540435.9224 3.7953 -4.8689 3 1093.8217729 89502 303C1 0C1 C0 1C0 a-Alanine, conf. I
540435.9224 3.7953 -4.8689 3 1093.8217729 89502 303C1 1C1 C0 0C0 a-Alanine, conf. I
540449.0040 0.8788 -5.4638 3 248.8325327 89502 30354 846 53 747 a-Alanine, conf. I
540449.0040 0.8788 -5.4638 3 248.8325327 89502 30354 946 53 647 a-Alanine, conf. I
540449.7697 1.9251 -5.0444 3 316.8257351 89502 303581543 571444 a-Alanine, conf. I
540450.5397 1.9248 -5.0444 3 316.8257351 89502 303581643 571344 a-Alanine, conf. I
540458.0728 1.9640 -5.3767 3 518.5669447 89502 303741856 731756 a-Alanine, conf. I
540458.0750 1.9640 -5.3767 3 518.5669447 89502 303741956 731856 a-Alanine, conf. I
540491.4134 20.9018 -5.4825 3 990.4653597 89502 303993465 983564 a-Alanine, conf. I
540492.9903 0.3377 -5.1826 3 492.4677381 89502 303634320 624220 a-Alanine, conf. I
540492.9903 0.3377 -4.0991 3 492.4677381 89502 303634320 624221 a-Alanine, conf. I
540492.9903 0.3377 -4.0991 3 492.4677381 89502 303634321 624220 a-Alanine, conf. I
540492.9903 0.3377 -5.1826 3 492.4677381 89502 303634321 624221 a-Alanine, conf. I
540528.0978 6.7899 -5.3592 3 944.1951579 89502 303963759 953758 a-Alanine, conf. I
540567.4344 0.3523 -5.1140 3 474.6706339 89502 3035651 5 5550 5 a-Alanine, conf. I
540567.4344 0.3523 -3.9638 3 474.6706339 89502 3035651 5 5550 6 a-Alanine, conf. I
540567.4344 0.3523 -3.9638 3 474.6706339 89502 3035651 6 5550 5 a-Alanine, conf. I
540567.4344 0.3523 -5.1140 3 474.6706339 89502 3035651 6 5550 6 a-Alanine, conf. I
540571.2544 2.5589 -5.4581 3 650.2049483 89502 303803050 792950 a-Alanine, conf. I
540754.8954 1.6320 -5.0738 3 991.0642609 89502 303A12774 A02873 a-Alanine, conf. I
540754.9009 1.6320 -5.4217 3 991.0642609 89502 303A12874 A02873 a-Alanine, conf. I
540754.9072 1.6320 -5.4217 3 991.0642609 89502 303A12774 A02773 a-Alanine, conf. I
540754.9127 1.6320 -5.0738 3 991.0642609 89502 303A12874 A02773 a-Alanine, conf. I
540779.2318 2.3071 -5.3136 3 927.3376579 89502 303963264 953263 a-Alanine, conf. I
540992.4587 1.5945 -4.9666 3 1051.6527657 89502 303A91693 A81792 a-Alanine, conf. I
540992.4587 1.5945 -4.9666 3 1051.6527657 89502 303A91793 A81692 a-Alanine, conf. I
541000.8759 1.6493 -5.4595 3 1018.2875627 89502 303A42381 A32380 a-Alanine, conf. I
541000.8759 1.6493 -5.0240 3 1018.2875627 89502 303A42381 A32480 a-Alanine, conf. I
541000.8759 1.6493 -5.0240 3 1018.2875627 89502 303A42481 A32380 a-Alanine, conf. I
541000.8759 1.6493 -5.4595 3 1018.2875627 89502 303A42481 A32480 a-Alanine, conf. I
541067.1055 0.3574 -5.1945 3 497.5554387 89502 303644222 634122 a-Alanine, conf. I
541067.1055 0.3574 -4.1229 3 497.5554387 89502 303644222 634123 a-Alanine, conf. I
541067.1055 0.3574 -4.1229 3 497.5554387 89502 303644223 634122 a-Alanine, conf. I
541067.1055 0.3574 -5.1945 3 497.5554387 89502 303644223 634123 a-Alanine, conf. I
541152.9102 2.7095 -5.3743 3 546.1861453 89502 303752154 742054 a-Alanine, conf. I
541154.2274 2.7085 -5.3743 3 546.1861453 89502 303752254 742154 a-Alanine, conf. I
541202.2406 2.6342 -4.8964 3 1089.1474711 89502 303B8 4B4 B7 5B3 a-Alanine, conf. I
541202.2406 2.6342 -4.8964 3 1089.1474711 89502 303B8 5B4 B7 4B3 a-Alanine, conf. I
541205.3241 2.5696 -5.3229 3 931.6539579 89502 303963463 953462 a-Alanine, conf. I
541269.1930 0.3209 -5.1226 3 477.0929345 89502 3035750 7 5649 7 a-Alanine, conf. I
541269.1930 0.3209 -3.9793 3 477.0929345 89502 3035750 7 5649 8 a-Alanine, conf. I
541269.1930 0.3209 -3.9793 3 477.0929345 89502 3035750 8 5649 7 a-Alanine, conf. I
541269.1930 0.3209 -5.1226 3 477.0929345 89502 3035750 8 5649 8 a-Alanine, conf. I
541287.3797 0.5470 -4.4978 3 570.2923447 89502 303743243 733142 a-Alanine, conf. I
541297.4688 0.5485 -5.3403 3 570.2923447 89502 303743242 733142 a-Alanine, conf. I
541325.4350 0.5528 -5.3403 3 570.2910447 89502 303743243 733143 a-Alanine, conf. I
541335.5241 0.5548 -4.4977 3 570.2910447 89502 303743242 733143 a-Alanine, conf. I
541415.4859 1.6184 -4.9436 3 1067.9923675 89502 303B212A0 B11399 a-Alanine, conf. I
541415.4859 1.6184 -4.9436 3 1067.9923675 89502 303B213A0 B11299 a-Alanine, conf. I
541460.8492 1.2248 -5.4193 3 478.9679441 89502 303731360 721260 a-Alanine, conf. I
541460.8492 1.2248 -5.4193 3 478.9679441 89502 303731460 721360 a-Alanine, conf. I
541464.8014 14.3041 -4.9683 3 699.6590501 89502 303833153 823052 a-Alanine, conf. I
541510.9585 1.9104 -4.9208 3 1080.5083693 89502 303B5 8A7 B4 9A6 a-Alanine, conf. I
541510.9585 1.9104 -4.9208 3 1080.5083693 89502 303B5 9A7 B4 8A6 a-Alanine, conf. I
541534.0996 6.6542 -4.7710 3 587.1425459 89502 303762947 752848 a-Alanine, conf. I
541555.8677 5.3144 -5.3443 3 939.7738579 89502 303963661 953660 a-Alanine, conf. I
541603.8591 0.3782 -5.2068 3 503.0145393 89502 303654124 644024 a-Alanine, conf. I
541603.8591 0.3782 -4.1482 3 503.0145393 89502 303654124 644025 a-Alanine, conf. I
541603.8591 0.3782 -4.1482 3 503.0145393 89502 303654125 644024 a-Alanine, conf. I
541603.8591 0.3782 -5.2068 3 503.0145393 89502 303654125 644025 a-Alanine, conf. I
541639.1497 1.6335 -4.9919 3 1041.3845645 89502 303A71988 A62087 a-Alanine, conf. I
541639.1497 1.6335 -4.9919 3 1041.3845645 89502 303A72088 A61987 a-Alanine, conf. I
541734.3524 3.7164 -4.9342 3 378.2517375 89502 303622142 611843 a-Alanine, conf. I
541747.0802 5.2276 -5.4175 3 971.7061585 89502 303973959 963958 a-Alanine, conf. I
541794.7542 1.0802 -5.4856 3 293.0911327 89502 303542232 531935 a-Alanine, conf. I
541799.8967 5.3117 -5.4174 3 971.7079585 89502 303973958 963957 a-Alanine, conf. I
541834.1637 1.6485 -5.0638 3 1002.7773615 89502 303A22676 A12775 a-Alanine, conf. I
541834.1639 1.6485 -5.4388 3 1002.7773615 89502 303A22776 A12775 a-Alanine, conf. I
541834.1642 1.6485 -5.4388 3 1002.7773615 89502 303A22676 A12675 a-Alanine, conf. I
541834.1644 1.6485 -5.0638 3 1002.7773615 89502 303A22776 A12675 a-Alanine, conf. I
541962.7031 0.3017 -5.1316 3 479.8642351 89502 3035849 9 5748 9 a-Alanine, conf. I
541962.7031 0.3017 -3.9957 3 479.8642351 89502 3035849 9 574810 a-Alanine, conf. I
541962.7031 0.3017 -3.9957 3 479.8642351 89502 303584910 5748 9 a-Alanine, conf. I
541962.7031 0.3017 -5.1316 3 479.8642351 89502 303584910 574810 a-Alanine, conf. I
541986.5582 7.3557 -5.4741 3 663.3326489 89502 303812952 802852 a-Alanine, conf. I
542066.4373 0.8337 -5.3943 3 604.8943465 89502 303773048 762948 a-Alanine, conf. I
542093.9859 0.4000 -5.2196 3 508.8504399 89502 303664026 653926 a-Alanine, conf. I
542093.9859 0.4000 -4.1752 3 508.8504399 89502 303664026 653927 a-Alanine, conf. I
542093.9859 0.4000 -4.1752 3 508.8504399 89502 303664027 653926 a-Alanine, conf. I
542093.9859 0.4000 -5.2196 3 508.8504399 89502 303664027 653927 a-Alanine, conf. I
542138.0089 2.9052 -4.8965 3 1095.1900717 89502 303B9 3B6 B8 4B5 a-Alanine, conf. I
542138.0089 2.9052 -4.8965 3 1095.1900717 89502 303B9 4B6 B8 3B5 a-Alanine, conf. I
542181.9609 1.6675 -5.1806 3 958.9967591 89502 303983167 973266 a-Alanine, conf. I
542227.5517 1.5980 -4.9670 3 1060.5936663 89502 303B01595 A91694 a-Alanine, conf. I
542227.5517 1.5980 -4.9670 3 1060.5936663 89502 303B01695 A91594 a-Alanine, conf. I
542256.1032 1.6596 -5.4738 3 1028.9338633 89502 303A52283 A42282 a-Alanine, conf. I
542256.1032 1.6596 -5.0207 3 1028.9338633 89502 303A52283 A42382 a-Alanine, conf. I
542256.1032 1.6596 -5.0207 3 1028.9338633 89502 303A52383 A42282 a-Alanine, conf. I
542256.1032 1.6596 -5.4738 3 1028.9338633 89502 303A52383 A42382 a-Alanine, conf. I
542344.3933 1.6359 -5.3451 3 945.5117585 89502 303973365 963364 a-Alanine, conf. I
542398.7061 0.5508 -4.4388 3 561.0187441 89502 303733341 723240 a-Alanine, conf. I
542399.1967 0.5509 -5.3230 3 561.0187441 89502 303733340 723240 a-Alanine, conf. I
542400.7491 0.5513 -5.3230 3 561.0187441 89502 303733341 723241 a-Alanine, conf. I
542401.2397 0.5514 -4.4388 3 561.0187441 89502 303733340 723241 a-Alanine, conf. I
542404.6423 4.1387 -5.3310 3 935.6553579 89502 303963562 953561 a-Alanine, conf. I
542412.4669 1.5830 -5.3686 3 958.9967591 89502 303983267 973266 a-Alanine, conf. I
542435.5769 1.7764 -5.3846 3 513.4302447 89502 303741757 731657 a-Alanine, conf. I
542435.5771 1.7764 -5.3846 3 513.4302447 89502 303741857 731757 a-Alanine, conf. I
542482.4916 4.8026 -5.3985 3 590.7894465 89502 303772552 762452 a-Alanine, conf. I
542525.4656 0.4226 -5.2329 3 515.0695405 89502 303673928 663828 a-Alanine, conf. I
542525.4656 0.4226 -4.2040 3 515.0695405 89502 303673928 663829 a-Alanine, conf. I
542525.4656 0.4226 -4.2040 3 515.0695405 89502 303673929 663828 a-Alanine, conf. I
542525.4656 0.4226 -5.2329 3 515.0695405 89502 303673929 663829 a-Alanine, conf. I
542565.1847 2.0636 -4.9215 3 1087.5362699 89502 303B6 7A9 B5 8A8 a-Alanine, conf. I
542565.1847 2.0636 -4.9215 3 1087.5362699 89502 303B6 8A9 B5 7A8 a-Alanine, conf. I
542572.0204 1.6687 -4.9444 3 1075.9827681 89502 303B311A2 B212A1 a-Alanine, conf. I
542572.0204 1.6687 -4.9444 3 1075.9827681 89502 303B312A2 B211A1 a-Alanine, conf. I
542603.1507 1.5674 -5.3682 3 958.9826591 89502 303983167 973166 a-Alanine, conf. I
542646.3013 0.2939 -5.1410 3 482.9865357 89502 303594811 584711 a-Alanine, conf. I
542646.3013 0.2939 -4.0131 3 482.9865357 89502 303594811 584712 a-Alanine, conf. I
542646.3013 0.2939 -4.0131 3 482.9865357 89502 303594812 584711 a-Alanine, conf. I
542646.3013 0.2939 -5.1410 3 482.9865357 89502 303594812 584712 a-Alanine, conf. I
542669.8221 1.6161 -5.1461 3 972.0541597 89502 303993069 983168 a-Alanine, conf. I
542687.2801 1.6123 -5.3905 3 972.0541597 89502 303993169 983168 a-Alanine, conf. I
542703.3745 1.6096 -5.3905 3 972.0530597 89502 303993069 983068 a-Alanine, conf. I
542720.8325 1.6066 -5.1460 3 972.0530597 89502 303993169 983068 a-Alanine, conf. I
542819.2169 9.4549 -5.4593 3 645.2261483 89502 303802852 792752 a-Alanine, conf. I
542833.6566 1.6084 -5.1795 3 958.9826591 89502 303983267 973166 a-Alanine, conf. I
542882.4566 0.4461 -5.2466 3 521.6795411 89502 303683830 673730 a-Alanine, conf. I
542882.4566 0.4461 -4.2349 3 521.6795411 89502 303683830 673731 a-Alanine, conf. I
542882.4566 0.4461 -4.2349 3 521.6795411 89502 303683831 673730 a-Alanine, conf. I
542882.4566 0.4461 -5.2466 3 521.6795411 89502 303683831 673731 a-Alanine, conf. I
542893.1166 1.1675 -5.4366 3 473.1370441 89502 303731261 721161 a-Alanine, conf. I
542893.1166 1.1675 -5.4366 3 473.1370441 89502 303731361 721261 a-Alanine, conf. I
542907.8325 1.6336 -4.9914 3 1051.0509651 89502 303A81890 A71989 a-Alanine, conf. I
542907.8325 1.6336 -4.9914 3 1051.0509651 89502 303A81990 A71889 a-Alanine, conf. I
542944.7226 3.4228 -5.3836 3 568.6400459 89502 303762353 752253 a-Alanine, conf. I
542953.0388 0.8811 -4.6075 3 594.2324459 89502 303763146 753045 a-Alanine, conf. I
542959.8865 0.8854 -5.4743 3 665.7065489 89502 303813051 802951 a-Alanine, conf. I
542988.0392 1.6642 -5.4551 3 1014.2191621 89502 303A32578 A22577 a-Alanine, conf. I
542988.0392 1.6642 -5.0564 3 1014.2191621 89502 303A32578 A22677 a-Alanine, conf. I
542988.0392 1.6642 -5.0564 3 1014.2191621 89502 303A32678 A22577 a-Alanine, conf. I
542988.0392 1.6642 -5.4551 3 1014.2191621 89502 303A32678 A22677 a-Alanine, conf. I
542988.4074 0.5388 -4.3886 3 552.2538435 89502 303723439 713338 a-Alanine, conf. I
542988.4265 0.5388 -5.3065 3 552.2538435 89502 303723438 713338 a-Alanine, conf. I
542988.4940 0.5388 -5.3065 3 552.2538435 89502 303723439 713339 a-Alanine, conf. I
542988.5131 0.5388 -4.3886 3 552.2538435 89502 303723438 713339 a-Alanine, conf. I
542989.3017 3.3906 -5.3835 3 568.6405459 89502 303762453 752353 a-Alanine, conf. I
543039.6748 3.2055 -4.8966 3 1100.9895723 89502 303C0 2B8 B9 3B7 a-Alanine, conf. I
543039.6748 3.2055 -4.8966 3 1100.9895723 89502 303C0 3B8 B9 2B7 a-Alanine, conf. I
543058.1238 1.2304 -4.9818 3 410.9965387 89502 303642441 632142 a-Alanine, conf. I
543102.2559 3.9397 -4.9298 3 393.0491381 89502 303632242 621943 a-Alanine, conf. I
543143.6625 0.4705 -5.2608 3 528.6896417 89502 303693732 683632 a-Alanine, conf. I
543143.6625 0.4705 -4.2683 3 528.6896417 89502 303693732 683633 a-Alanine, conf. I
543143.6625 0.4705 -4.2683 3 528.6896417 89502 303693733 683632 a-Alanine, conf. I
543143.6625 0.4705 -5.2608 3 528.6896417 89502 303693733 683633 a-Alanine, conf. I
543248.7655 0.5187 -4.3443 3 543.9600429 89502 303713537 703436 a-Alanine, conf. I
543248.7660 0.5187 -5.2907 3 543.9600429 89502 303713536 703436 a-Alanine, conf. I
543248.7684 0.5187 -5.2907 3 543.9600429 89502 303713537 703437 a-Alanine, conf. I
543248.7690 0.5187 -4.3443 3 543.9600429 89502 303713536 703437 a-Alanine, conf. I
543276.4666 0.7075 -5.3764 3 594.2324459 89502 303763145 753045 a-Alanine, conf. I
543279.7171 0.4951 -4.3045 3 536.1116423 89502 303703635 693534 a-Alanine, conf. I
543279.7172 0.4951 -5.2755 3 536.1116423 89502 303703634 693534 a-Alanine, conf. I
543279.7172 0.4951 -4.3045 3 536.1116423 89502 303703634 693535 a-Alanine, conf. I
543279.7172 0.4951 -5.2755 3 536.1116423 89502 303703635 693535 a-Alanine, conf. I
543297.4657 1.6378 -5.1229 3 984.7297603 89502 303A02971 993070 a-Alanine, conf. I
543298.4072 1.6156 -5.2430 3 894.4508567 89502 303943361 933360 a-Alanine, conf. I
543298.5546 1.6376 -5.4108 3 984.7297603 89502 303A03071 993070 a-Alanine, conf. I
543299.6459 1.6374 -5.4108 3 984.7296603 89502 303A02971 992970 a-Alanine, conf. I
543300.7348 1.6372 -5.1229 3 984.7296603 89502 303A03071 992970 a-Alanine, conf. I
543317.9365 0.2957 -5.1509 3 486.4616363 89502 303604713 594613 a-Alanine, conf. I
543317.9365 0.2957 -4.0315 3 486.4616363 89502 303604713 594614 a-Alanine, conf. I
543317.9365 0.2957 -4.0315 3 486.4616363 89502 303604714 594613 a-Alanine, conf. I
543317.9365 0.2957 -5.1509 3 486.4616363 89502 303604714 594614 a-Alanine, conf. I
543327.1201 1.4529 -5.1290 3 298.7023345 89502 303571344 561245 a-Alanine, conf. I
543327.1310 1.4529 -5.1290 3 298.7023345 89502 303571444 561145 a-Alanine, conf. I
543444.4455 1.6078 -4.9676 3 1069.3074669 89502 303B11497 B01596 a-Alanine, conf. I
543444.4455 1.6078 -4.9676 3 1069.3074669 89502 303B11597 B01496 a-Alanine, conf. I
543448.2930 8.1841 -5.2502 3 897.1135567 89502 303943460 933459 a-Alanine, conf. I
543452.9888 4.1586 -5.3970 3 590.8034465 89502 303772652 762552 a-Alanine, conf. I
543508.9749 9.6780 -5.3431 3 967.9153591 89502 303983365 973464 a-Alanine, conf. I
543524.1944 1.6670 -5.0184 3 1039.3407639 89502 303A62185 A52284 a-Alanine, conf. I
543524.1944 1.6670 -5.0184 3 1039.3407639 89502 303A62285 A52184 a-Alanine, conf. I
543588.8948 2.2479 -4.9222 3 1094.3289705 89502 303B7 6B1 B6 7B0 a-Alanine, conf. I
543588.8948 2.2479 -4.9222 3 1094.3289705 89502 303B7 7B1 B6 6B0 a-Alanine, conf. I
543651.7619 2.5273 -5.4124 3 616.0317471 89502 303782950 772850 a-Alanine, conf. I
543702.9377 1.7414 -4.9453 3 1083.7437687 89502 303B410A4 B311A3 a-Alanine, conf. I
543702.9377 1.7414 -4.9453 3 1083.7437687 89502 303B411A4 B310A3 a-Alanine, conf. I
543716.3719 5.6100 -5.3996 3 966.7771585 89502 303973860 963859 a-Alanine, conf. I
543724.7521 2.4439 -5.3787 3 541.4851453 89502 303752055 741955 a-Alanine, conf. I
543724.8854 2.4438 -5.3787 3 541.4851453 89502 303752155 742055 a-Alanine, conf. I
543824.4980 0.4959 -5.1013 3 479.0762327 89502 3035454 0 5353 0 a-Alanine, conf. I
543824.4980 0.4959 -3.9352 3 479.0762327 89502 3035454 0 5353 1 a-Alanine, conf. I
543824.4980 0.4959 -3.9352 3 479.0762327 89502 3035454 1 5353 0 a-Alanine, conf. I
543824.4980 0.4959 -5.1013 3 479.0762327 89502 3035454 1 5353 1 a-Alanine, conf. I
543906.4062 3.5345 -4.8964 3 1106.5433729 89502 303C1 1C0 C0 2B9 a-Alanine, conf. I
543906.4062 3.5345 -4.8964 3 1106.5433729 89502 303C1 2C0 C0 1B9 a-Alanine, conf. I
543970.1473 2.2299 -5.0156 3 330.9990357 89502 303591643 581544 a-Alanine, conf. I
543973.8837 2.2285 -5.0156 3 330.9990357 89502 303591743 581444 a-Alanine, conf. I
543975.0747 0.3048 -5.1613 3 490.2920369 89502 303614615 604515 a-Alanine, conf. I
543975.0747 0.3048 -4.0509 3 490.2920369 89502 303614615 604516 a-Alanine, conf. I
543975.0747 0.3048 -4.0509 3 490.2920369 89502 303614616 604515 a-Alanine, conf. I
543975.0747 0.3048 -5.1613 3 490.2920369 89502 303614616 604516 a-Alanine, conf. I
543995.2517 0.5749 -5.3753 3 594.1976459 89502 303763146 753046 a-Alanine, conf. I
544019.8883 1.9551 -5.3418 3 945.3760585 89502 303973265 963264 a-Alanine, conf. I
544031.5594 6.0699 -5.3991 3 966.7894585 89502 303973859 963858 a-Alanine, conf. I
544143.4434 1.6574 -5.1063 3 997.0686609 89502 303A12873 A02972 a-Alanine, conf. I
544143.5008 1.6574 -5.4298 3 997.0686609 89502 303A12973 A02972 a-Alanine, conf. I
544143.5624 1.6574 -5.4298 3 997.0686609 89502 303A12873 A02872 a-Alanine, conf. I
544143.6197 1.6574 -5.1063 3 997.0686609 89502 303A12973 A02872 a-Alanine, conf. I
544166.9955 1.6330 -4.9913 3 1060.4886657 89502 303A91792 A81891 a-Alanine, conf. I
544166.9955 1.6330 -4.9913 3 1060.4886657 89502 303A91892 A81791 a-Alanine, conf. I
544190.2999 3.8910 -5.4129 3 612.5831471 89502 303782851 772751 a-Alanine, conf. I
544192.1750 1.6787 -5.4707 3 1025.4015627 89502 303A42480 A32479 a-Alanine, conf. I
544192.1750 1.6787 -5.0509 3 1025.4015627 89502 303A42480 A32579 a-Alanine, conf. I
544192.1750 1.6787 -5.0509 3 1025.4015627 89502 303A42580 A32479 a-Alanine, conf. I
544192.1750 1.6787 -5.4707 3 1025.4015627 89502 303A42580 A32579 a-Alanine, conf. I
544236.5683 11.6143 -4.9624 3 463.2891411 89502 303682444 672345 a-Alanine, conf. I
544251.0535 1.1458 -5.4568 3 467.1560441 89502 303731162 721062 a-Alanine, conf. I
544251.0535 1.1458 -5.4568 3 467.1560441 89502 303731262 721162 a-Alanine, conf. I
544266.9301 1.6105 -5.3940 3 508.1251447 89502 303741658 731558 a-Alanine, conf. I
544266.9301 1.6105 -5.3940 3 508.1251447 89502 303741758 731658 a-Alanine, conf. I
544318.6795 0.6530 -4.6056 3 594.1976459 89502 303763145 753046 a-Alanine, conf. I
544541.0198 0.4346 -5.1087 3 480.6442333 89502 3035553 2 5452 2 a-Alanine, conf. I
544541.0198 0.4346 -3.9486 3 480.6442333 89502 3035553 2 5452 3 a-Alanine, conf. I
544541.0198 0.4346 -3.9486 3 480.6442333 89502 3035553 3 5452 2 a-Alanine, conf. I
544541.0198 0.4346 -5.1087 3 480.6442333 89502 3035553 3 5452 3 a-Alanine, conf. I
544581.0188 2.4632 -4.9227 3 1100.8842711 89502 303B8 5B3 B7 6B2 a-Alanine, conf. I
544581.0188 2.4632 -4.9227 3 1100.8842711 89502 303B8 6B3 B7 5B2 a-Alanine, conf. I
544582.8402 4.8137 -5.4757 3 1000.3619591 89502 303984158 974157 a-Alanine, conf. I
544584.8979 4.8175 -5.4757 3 1000.3620591 89502 303984157 974156 a-Alanine, conf. I
544614.5765 0.3189 -5.1721 3 494.4801375 89502 303624517 614417 a-Alanine, conf. I
544614.5765 0.3189 -4.0714 3 494.4801375 89502 303624517 614418 a-Alanine, conf. I
544614.5765 0.3189 -4.0714 3 494.4801375 89502 303624518 614417 a-Alanine, conf. I
544614.5765 0.3189 -5.1721 3 494.4801375 89502 303624518 614418 a-Alanine, conf. I
544618.3739 9.8699 -5.2229 3 909.3962573 89502 303953363 943262 a-Alanine, conf. I
544640.8000 1.6278 -4.9684 3 1077.7938675 89502 303B21399 B11498 a-Alanine, conf. I
544640.8000 1.6278 -4.9684 3 1077.7938675 89502 303B21499 B11398 a-Alanine, conf. I
544692.5874 6.1735 -5.4172 3 608.8847471 89502 303782652 772552 a-Alanine, conf. I
544700.3244 10.3803 -5.2936 3 918.2498573 89502 303953560 943559 a-Alanine, conf. I
544737.4167 3.8915 -4.8961 3 1111.8487735 89502 303C2 0C2 C1 1C1 a-Alanine, conf. I
544737.4167 3.8915 -4.8961 3 1111.8487735 89502 303C2 1C2 C1 0C1 a-Alanine, conf. I
544796.4584 8.1826 -5.4387 3 627.0536477 89502 303792752 782652 a-Alanine, conf. I
544797.2910 1.6714 -5.0170 3 1049.5124645 89502 303A72087 A62186 a-Alanine, conf. I
544797.2910 1.6714 -5.0170 3 1049.5124645 89502 303A72187 A62086 a-Alanine, conf. I
544806.7445 1.8400 -4.9462 3 1091.2737693 89502 303B5 9A6 B410A5 a-Alanine, conf. I
544806.7445 1.8400 -4.9462 3 1091.2737693 89502 303B510A6 B4 9A5 a-Alanine, conf. I
544844.6585 6.8185 -5.2255 3 927.3376579 89502 303963364 953263 a-Alanine, conf. I
544847.5176 18.9214 -5.1182 3 784.3854531 89502 303883257 873156 a-Alanine, conf. I
544870.7025 5.1431 -5.3421 3 352.4485357 89502 303592436 582137 a-Alanine, conf. I
544971.9638 11.5285 -4.8565 3 569.6748453 89502 303752847 742748 a-Alanine, conf. I
544974.1601 1.1032 -5.2379 3 280.5239339 89502 303561145 551046 a-Alanine, conf. I
544974.1602 1.1032 -5.2379 3 280.5239339 89502 303561245 55 946 a-Alanine, conf. I
545140.3576 1.6749 -5.0942 3 1009.1018615 89502 303A22775 A12874 a-Alanine, conf. I
545140.3602 1.6749 -5.4478 3 1009.1018615 89502 303A22875 A12874 a-Alanine, conf. I
545140.3632 1.6749 -5.4478 3 1009.1018615 89502 303A22775 A12774 a-Alanine, conf. I
545140.3658 1.6749 -5.0942 3 1009.1018615 89502 303A22875 A12774 a-Alanine, conf. I
545153.4849 2.8122 -5.2439 3 963.6023591 89502 303983266 973365 a-Alanine, conf. I
545232.5373 0.3362 -5.1833 3 499.0292381 89502 303634419 624319 a-Alanine, conf. I
545232.5373 0.3362 -4.0931 3 499.0292381 89502 303634419 624320 a-Alanine, conf. I
545232.5373 0.3362 -4.0931 3 499.0292381 89502 303634420 624319 a-Alanine, conf. I
545232.5373 0.3362 -5.1833 3 499.0292381 89502 303634420 624320 a-Alanine, conf. I
545252.1818 0.3842 -5.1165 3 482.5576339 89502 3035652 4 5551 4 a-Alanine, conf. I
545252.1818 0.3842 -3.9628 3 482.5576339 89502 3035652 4 5551 5 a-Alanine, conf. I
545252.1818 0.3842 -3.9628 3 482.5576339 89502 3035652 5 5551 4 a-Alanine, conf. I
545252.1818 0.3842 -5.1165 3 482.5576339 89502 3035652 5 5551 5 a-Alanine, conf. I
545317.8982 3.6918 -4.9355 3 407.9865387 89502 303642342 632043 a-Alanine, conf. I
545413.0346 1.6334 -4.9917 3 1069.6983663 89502 303B01694 A91793 a-Alanine, conf. I
545413.0346 1.6334 -4.9917 3 1069.6983663 89502 303B01794 A91693 a-Alanine, conf. I
545429.3926 1.6911 -5.0469 3 1036.3334633 89502 303A52382 A42481 a-Alanine, conf. I
545429.3926 1.6911 -5.0469 3 1036.3334633 89502 303A52482 A42381 a-Alanine, conf. I
545451.9830 9.4200 -5.3376 3 939.9718579 89502 303963660 953659 a-Alanine, conf. I
545540.5617 2.7094 -4.9232 3 1107.1999717 89502 303B9 4B5 B8 5B4 a-Alanine, conf. I
545540.5617 2.7094 -4.9232 3 1107.1999717 89502 303B9 5B5 B8 4B4 a-Alanine, conf. I
545542.8485 1.1604 -5.4804 3 461.0273441 89502 303731063 72 963 a-Alanine, conf. I
545542.8485 1.1604 -5.4804 3 461.0273441 89502 303731163 721063 a-Alanine, conf. I
545590.2081 3.0618 -4.7161 3 604.8943465 89502 303773047 762948 a-Alanine, conf. I
545718.0572 0.9188 -5.3803 3 262.3207333 89502 30355 946 54 847 a-Alanine, conf. I
545718.0572 0.9188 -5.3803 3 262.3207333 89502 303551046 54 747 a-Alanine, conf. I
545814.5643 1.6621 -4.9694 3 1086.0520681 89502 303B312A1 B213A0 a-Alanine, conf. I
545814.5643 1.6621 -4.9694 3 1086.0520681 89502 303B313A1 B212A0 a-Alanine, conf. I
545824.0742 0.3555 -5.1950 3 503.9427387 89502 303644321 634221 a-Alanine, conf. I
545824.0742 0.3555 -4.1161 3 503.9427387 89502 303644321 634222 a-Alanine, conf. I
545824.0742 0.3555 -4.1161 3 503.9427387 89502 303644322 634221 a-Alanine, conf. I
545824.0742 0.3555 -5.1950 3 503.9427387 89502 303644322 634222 a-Alanine, conf. I
545853.5660 5.7660 -5.3822 3 962.1552585 89502 303973761 963760 a-Alanine, conf. I
545882.0857 1.9673 -4.9472 3 1098.5711699 89502 303B6 8A8 B5 9A7 a-Alanine, conf. I
545882.0857 1.9673 -4.9472 3 1098.5711699 89502 303B6 9A8 B5 8A7 a-Alanine, conf. I
545882.8359 2.2325 -5.3484 3 949.7066585 89502 303973464 963463 a-Alanine, conf. I
545889.0288 0.5600 -4.5281 3 584.1054453 89502 303753244 743143 a-Alanine, conf. I
545910.7415 0.5617 -5.3566 3 584.1054453 89502 303753243 743143 a-Alanine, conf. I
545957.0200 0.3457 -5.1249 3 484.8177345 89502 3035751 6 5650 6 a-Alanine, conf. I
545957.0200 0.3457 -3.9778 3 484.8177345 89502 3035751 6 5650 7 a-Alanine, conf. I
545957.0200 0.3457 -3.9778 3 484.8177345 89502 3035751 7 5650 6 a-Alanine, conf. I
545957.0200 0.3457 -5.1249 3 484.8177345 89502 3035751 7 5650 7 a-Alanine, conf. I
545968.4950 0.5680 -5.3565 3 584.1028453 89502 303753244 743144 a-Alanine, conf. I
545974.4803 1.4677 -5.4049 3 502.6566447 89502 303741559 731459 a-Alanine, conf. I
545974.4803 1.4677 -5.4049 3 502.6566447 89502 303741659 731559 a-Alanine, conf. I
545990.2078 0.5717 -4.5279 3 584.1028453 89502 303753243 743144 a-Alanine, conf. I
546042.8856 2.2090 -5.3842 3 536.5947453 89502 303751956 741856 a-Alanine, conf. I
546042.8975 2.2090 -5.3842 3 536.5947453 89502 303752056 741956 a-Alanine, conf. I
546069.1666 1.6731 -5.0163 3 1059.4516651 89502 303A81989 A72088 a-Alanine, conf. I
546069.1666 1.6731 -5.0163 3 1059.4516651 89502 303A82089 A71988 a-Alanine, conf. I
546104.5486 5.1505 -5.4573 3 994.9342591 89502 303984059 974058 a-Alanine, conf. I
546119.7418 5.1767 -5.4573 3 994.9347591 89502 303984058 974057 a-Alanine, conf. I
546129.0606 13.4993 -5.2217 3 891.5422567 89502 303943362 933261 a-Alanine, conf. I
546177.8445 3.0482 -5.3859 3 564.2370459 89502 303762254 752154 a-Alanine, conf. I
546183.4885 3.0440 -5.3859 3 564.2370459 89502 303762354 752254 a-Alanine, conf. I
546238.1556 1.6915 -5.0851 3 1020.8510621 89502 303A32677 A22776 a-Alanine, conf. I
546238.1557 1.6915 -5.4650 3 1020.8510621 89502 303A32777 A22776 a-Alanine, conf. I
546238.1558 1.6915 -5.4650 3 1020.8510621 89502 303A32677 A22676 a-Alanine, conf. I
546238.1559 1.6915 -5.0851 3 1020.8510621 89502 303A32777 A22676 a-Alanine, conf. I
546383.0393 0.3761 -5.2072 3 509.2247393 89502 303654223 644123 a-Alanine, conf. I
546383.0393 0.3761 -4.1405 3 509.2247393 89502 303654223 644124 a-Alanine, conf. I
546383.0393 0.3761 -4.1405 3 509.2247393 89502 303654224 644123 a-Alanine, conf. I
546383.0393 0.3761 -5.2072 3 509.2247393 89502 303654224 644124 a-Alanine, conf. I
546409.8201 4.5665 -5.2302 3 945.3760585 89502 303973365 963264 a-Alanine, conf. I
546447.3813 1.3862 -4.6468 3 608.5473465 89502 303773147 763046 a-Alanine, conf. I
546463.8307 1.6647 -5.1926 3 977.0896597 89502 303993168 983267 a-Alanine, conf. I
546466.5934 2.9857 -4.9236 3 1113.2738723 89502 303C0 3B7 B9 4B6 a-Alanine, conf. I
546466.5934 2.9857 -4.9236 3 1113.2738723 89502 303C0 4B7 B9 3B6 a-Alanine, conf. I
546530.4975 1.6320 -5.3717 3 963.6023591 89502 303983366 973365 a-Alanine, conf. I
546588.4309 1.6272 -5.3952 3 977.0896597 89502 303993268 983267 a-Alanine, conf. I
546642.8977 1.6375 -4.9924 3 1078.6804669 89502 303B11596 B01695 a-Alanine, conf. I
546642.8977 1.6375 -4.9924 3 1078.6804669 89502 303B11696 B01595 a-Alanine, conf. I
546654.3475 0.3195 -5.1336 3 487.4260351 89502 3035850 8 5749 8 a-Alanine, conf. I
546654.3475 0.3195 -3.9937 3 487.4260351 89502 3035850 8 5749 9 a-Alanine, conf. I
546654.3475 0.3195 -3.9937 3 487.4260351 89502 3035850 9 5749 8 a-Alanine, conf. I
546654.3475 0.3195 -5.1336 3 487.4260351 89502 3035850 9 5749 9 a-Alanine, conf. I
546687.0834 1.7010 -5.0442 3 1047.0215639 89502 303A62284 A52383 a-Alanine, conf. I
546687.0834 1.7010 -5.0442 3 1047.0215639 89502 303A62384 A52283 a-Alanine, conf. I
546694.3367 1.6145 -5.3950 3 977.0819597 89502 303993168 983167 a-Alanine, conf. I
546717.1776 1.8532 -5.2727 3 912.5733573 89502 303953362 943361 a-Alanine, conf. I
546717.7563 11.6166 -4.9110 3 683.8177495 89502 303823152 813051 a-Alanine, conf. I
546818.9369 1.6173 -5.1920 3 977.0819597 89502 303993268 983167 a-Alanine, conf. I
546899.9914 1.1488 -5.4116 3 619.4334471 89502 303783049 772949 a-Alanine, conf. I
546901.6255 0.3976 -5.2198 3 514.8800399 89502 303664125 654025 a-Alanine, conf. I
546901.6255 0.3976 -4.1664 3 514.8800399 89502 303664125 654026 a-Alanine, conf. I
546901.6255 0.3976 -4.1664 3 514.8800399 89502 303664126 654025 a-Alanine, conf. I
546901.6255 0.3976 -5.2198 3 514.8800399 89502 303664126 654026 a-Alanine, conf. I
546927.7224 2.1251 -4.9481 3 1105.6342705 89502 303B7 7B0 B6 8A9 a-Alanine, conf. I
546927.7224 2.1251 -4.9481 3 1105.6342705 89502 303B7 8B0 B6 7A9 a-Alanine, conf. I
546938.5922 1.6596 -5.1621 3 990.1562603 89502 303A03070 993169 a-Alanine, conf. I
546947.5928 1.6576 -5.4170 3 990.1562603 89502 303A03170 993169 a-Alanine, conf. I
546956.0502 1.6561 -5.4170 3 990.1556603 89502 303A03070 993069 a-Alanine, conf. I
546963.9215 1.7152 -4.9705 3 1094.0810687 89502 303B411A3 B312A2 a-Alanine, conf. I
546963.9215 1.7152 -4.9705 3 1094.0810687 89502 303B412A3 B311A2 a-Alanine, conf. I
546965.0507 1.6544 -5.1620 3 990.1556603 89502 303A03170 993069 a-Alanine, conf. I
547076.8723 0.9635 -5.3945 3 608.5473465 89502 303773146 763046 a-Alanine, conf. I
547086.5496 2.5774 -4.9916 3 345.3640363 89502 303601743 591644 a-Alanine, conf. I
547103.3386 2.5711 -4.9915 3 345.3639363 89502 303601843 591544 a-Alanine, conf. I
547227.7928 0.5677 -4.4660 3 574.5830447 89502 303743342 733241 a-Alanine, conf. I
547228.9241 0.5680 -5.3386 3 574.5830447 89502 303743341 733241 a-Alanine, conf. I
547232.3816 0.5688 -5.3386 3 574.5829447 89502 303743342 733242 a-Alanine, conf. I
547233.5129 0.5691 -4.4659 3 574.5829447 89502 303743341 733242 a-Alanine, conf. I
547294.1068 3.9257 -5.3978 3 586.7507465 89502 303772453 762353 a-Alanine, conf. I
547334.7844 1.6729 -5.0162 3 1069.1604657 89502 303A91891 A81990 a-Alanine, conf. I
547334.7844 1.6729 -5.0162 3 1069.1604657 89502 303A91991 A81890 a-Alanine, conf. I
547342.7043 0.3055 -5.1429 3 490.3841357 89502 303594910 584810 a-Alanine, conf. I
547342.7043 0.3055 -4.0105 3 490.3841357 89502 303594910 584811 a-Alanine, conf. I
547342.7043 0.3055 -4.0105 3 490.3841357 89502 303594911 584810 a-Alanine, conf. I
547342.7043 0.3055 -5.1429 3 490.3841357 89502 303594911 584811 a-Alanine, conf. I
547358.2409 3.2916 -4.9238 3 1119.1034729 89502 303C1 2B9 C0 3B8 a-Alanine, conf. I
547358.2409 3.2916 -4.9238 3 1119.1034729 89502 303C1 3B9 C0 2B8 a-Alanine, conf. I
547369.8104 0.4201 -5.2329 3 520.9143405 89502 303674027 663927 a-Alanine, conf. I
547369.8104 0.4201 -4.1940 3 520.9143405 89502 303674027 663928 a-Alanine, conf. I
547369.8104 0.4201 -4.1940 3 520.9143405 89502 303674028 663927 a-Alanine, conf. I
547369.8104 0.4201 -5.2329 3 520.9143405 89502 303674028 663928 a-Alanine, conf. I
547404.0825 1.7072 -5.0785 3 1032.3312627 89502 303A42579 A32678 a-Alanine, conf. I
547404.0825 1.7072 -5.0785 3 1032.3312627 89502 303A42679 A32578 a-Alanine, conf. I
547424.9073 7.7738 -5.3797 3 962.2252585 89502 303973760 963759 a-Alanine, conf. I
547455.6503 3.8089 -5.3976 3 586.7526465 89502 303772553 762453 a-Alanine, conf. I
547500.0443 4.4169 -5.4131 3 608.9310471 89502 303782752 772652 a-Alanine, conf. I
547543.4167 1.7519 -5.3698 3 963.5226591 89502 303983266 973265 a-Alanine, conf. I
547546.1560 1.6936 -5.0900 3 312.7348351 89502 303581444 571345 a-Alanine, conf. I
547546.2194 1.6936 -5.0900 3 312.7348351 89502 303581544 571245 a-Alanine, conf. I
547575.6351 1.3508 -5.4176 3 497.0291447 89502 303741460 731360 a-Alanine, conf. I
547575.6351 1.3508 -5.4176 3 497.0291447 89502 303741560 731460 a-Alanine, conf. I
547575.7199 5.1892 -5.3666 3 957.8382585 89502 303973662 963661 a-Alanine, conf. I
547621.3336 1.6819 -5.1411 3 1002.8522609 89502 303A12972 A03071 a-Alanine, conf. I
547621.8734 1.6818 -5.4372 3 1002.8522609 89502 303A13072 A03071 a-Alanine, conf. I
547622.4224 1.6817 -5.4372 3 1002.8522609 89502 303A12972 A02971 a-Alanine, conf. I
547622.9623 1.6816 -5.1411 3 1002.8522609 89502 303A13072 A02971 a-Alanine, conf. I
547656.7125 7.1982 -4.9469 3 419.8557393 89502 303652243 642144 a-Alanine, conf. I
547774.5549 0.4434 -5.2464 3 527.3344411 89502 303683929 673829 a-Alanine, conf. I
547774.5549 0.4434 -4.2235 3 527.3344411 89502 303683929 673830 a-Alanine, conf. I
547774.5549 0.4434 -4.2235 3 527.3344411 89502 303683930 673829 a-Alanine, conf. I
547774.5549 0.4434 -5.2464 3 527.3344411 89502 303683930 673830 a-Alanine, conf. I
547806.8757 3.7154 -5.3549 3 953.7480585 89502 303973563 963562 a-Alanine, conf. I
547853.9649 1.6484 -4.9933 3 1087.4348675 89502 303B21498 B11597 a-Alanine, conf. I
547853.9649 1.6484 -4.9933 3 1087.4348675 89502 303B21598 B11497 a-Alanine, conf. I
547894.0518 5.5456 -5.4393 3 989.7768591 89502 303983960 973959 a-Alanine, conf. I
547942.5146 2.3141 -4.9490 3 1112.4610711 89502 303B8 6B2 B7 7B1 a-Alanine, conf. I
547942.5146 2.3141 -4.9490 3 1112.4610711 89502 303B8 7B2 B7 6B1 a-Alanine, conf. I
547950.2403 0.5594 -4.4136 3 565.5839441 89502 303733440 723339 a-Alanine, conf. I
547950.2873 0.5594 -5.3217 3 565.5839441 89502 303733439 723339 a-Alanine, conf. I
547950.4486 0.5595 -5.3217 3 565.5839441 89502 303733440 723340 a-Alanine, conf. I
547950.4956 0.5595 -4.4136 3 565.5839441 89502 303733439 723340 a-Alanine, conf. I
547955.6900 1.7080 -5.0424 3 1057.4708645 89502 303A72186 A62285 a-Alanine, conf. I
547955.6900 1.7080 -5.0424 3 1057.4708645 89502 303A72286 A62185 a-Alanine, conf. I
547993.3341 5.7040 -5.4391 3 989.7804591 89502 303983959 973958 a-Alanine, conf. I
548020.2945 0.3022 -5.1526 3 493.6938363 89502 303604812 594712 a-Alanine, conf. I
548020.2945 0.3022 -4.0283 3 493.6938363 89502 303604812 594713 a-Alanine, conf. I
548020.2945 0.3022 -4.0283 3 493.6938363 89502 303604813 594712 a-Alanine, conf. I
548020.2945 0.3022 -5.1526 3 493.6938363 89502 303604813 594713 a-Alanine, conf. I
548087.2474 1.7913 -4.9717 3 1101.8797693 89502 303B510A5 B411A4 a-Alanine, conf. I
548087.2474 1.7913 -4.9717 3 1101.8797693 89502 303B511A5 B410A4 a-Alanine, conf. I
548098.6076 0.4677 -5.2604 3 534.1483417 89502 303693831 683731 a-Alanine, conf. I
548098.6076 0.4677 -4.2552 3 534.1483417 89502 303693831 683732 a-Alanine, conf. I
548098.6076 0.4677 -4.2552 3 534.1483417 89502 303693832 683731 a-Alanine, conf. I
548098.6076 0.4677 -5.2604 3 534.1483417 89502 303693832 683732 a-Alanine, conf. I
548158.8572 1.9987 -5.3908 3 531.5239453 89502 303751857 741757 a-Alanine, conf. I
548158.8582 1.9987 -5.3908 3 531.5239453 89502 303751957 741857 a-Alanine, conf. I
548214.6811 3.6263 -4.9239 3 1124.6860735 89502 303C2 1C1 C1 2C0 a-Alanine, conf. I
548214.6811 3.6263 -4.9239 3 1124.6860735 89502 303C2 2C1 C1 1C0 a-Alanine, conf. I
548303.0035 0.5409 -4.3677 3 557.0656435 89502 303723538 713437 a-Alanine, conf. I
548303.0050 0.5409 -5.3055 3 557.0656435 89502 303723537 713437 a-Alanine, conf. I
548303.0110 0.5409 -5.3055 3 557.0656435 89502 303723538 713438 a-Alanine, conf. I
548303.0126 0.5409 -4.3677 3 557.0656435 89502 303723537 713438 a-Alanine, conf. I
548318.6542 0.4927 -5.2749 3 541.3660423 89502 303703733 693633 a-Alanine, conf. I
548318.6542 0.4927 -4.2894 3 541.3660423 89502 303703733 693634 a-Alanine, conf. I
548318.6542 0.4927 -4.2894 3 541.3660423 89502 303703734 693633 a-Alanine, conf. I
548318.6542 0.4927 -5.2749 3 541.3660423 89502 303703734 693634 a-Alanine, conf. I
548393.2490 0.6000 -5.3924 3 608.4824465 89502 303773147 763047 a-Alanine, conf. I
548402.3181 0.5176 -4.3267 3 548.9998429 89502 303713636 703535 a-Alanine, conf. I
548402.3182 0.5176 -5.2899 3 548.9998429 89502 303713635 703535 a-Alanine, conf. I
548402.3184 0.5176 -4.3267 3 548.9998429 89502 303713635 703536 a-Alanine, conf. I
548402.3184 0.5176 -5.2899 3 548.9998429 89502 303713636 703536 a-Alanine, conf. I
548506.8380 1.7011 -5.1261 3 1015.2192615 89502 303A22874 A12973 a-Alanine, conf. I
548506.8655 1.7011 -5.4563 3 1015.2192615 89502 303A22974 A12973 a-Alanine, conf. I
548506.8953 1.7011 -5.4563 3 1015.2192615 89502 303A22874 A12873 a-Alanine, conf. I
548506.9228 1.7011 -5.1261 3 1015.2192615 89502 303A22974 A12873 a-Alanine, conf. I
548589.9944 1.6722 -5.0165 3 1078.6400663 89502 303B01793 A91892 a-Alanine, conf. I
548589.9944 1.6722 -5.0165 3 1078.6400663 89502 303B01893 A91792 a-Alanine, conf. I
548615.8127 1.7214 -5.0737 3 1043.5538633 89502 303A52481 A42580 a-Alanine, conf. I
548615.8127 1.7214 -5.0737 3 1043.5538633 89502 303A52581 A42480 a-Alanine, conf. I
548684.9065 0.3076 -5.1627 3 497.3573369 89502 303614714 604614 a-Alanine, conf. I
548684.9065 0.3076 -4.0471 3 497.3573369 89502 303614714 604615 a-Alanine, conf. I
548684.9065 0.3076 -4.0471 3 497.3573369 89502 303614715 604614 a-Alanine, conf. I
548684.9065 0.3076 -5.1627 3 497.3573369 89502 303614715 604615 a-Alanine, conf. I
548849.8947 13.3313 -4.9671 3 492.1740423 89502 303702545 692446 a-Alanine, conf. I
548920.4293 3.0889 -5.2371 3 963.5226591 89502 303983366 973265 a-Alanine, conf. I
548925.4066 2.5345 -4.9498 3 1119.0494717 89502 303B9 5B4 B8 6B3 a-Alanine, conf. I
548925.4066 2.5345 -4.9498 3 1119.0494717 89502 303B9 6B4 B8 5B3 a-Alanine, conf. I
548988.9814 2.7440 -5.3892 3 559.6218459 89502 303762155 752055 a-Alanine, conf. I
548989.6061 2.7436 -5.3892 3 559.6218459 89502 303762255 752155 a-Alanine, conf. I
549022.7400 0.8384 -4.6433 3 608.4824465 89502 303773146 763047 a-Alanine, conf. I
549035.1354 3.9892 -4.9237 3 1130.0192741 89502 303C3 0C3 C2 1C2 a-Alanine, conf. I
549035.1354 3.9892 -4.9237 3 1130.0192741 89502 303C3 1C3 C2 0C2 a-Alanine, conf. I
549043.9597 1.6701 -4.9944 3 1095.9610681 89502 303B313A0 B21499 a-Alanine, conf. I
549043.9597 1.6701 -4.9944 3 1095.9610681 89502 303B314A0 B21399 a-Alanine, conf. I
549084.2646 1.2639 -5.4324 3 491.2460447 89502 303741361 731261 a-Alanine, conf. I
549084.2646 1.2639 -5.4324 3 491.2460447 89502 303741461 731361 a-Alanine, conf. I
549183.0768 1.8938 -4.9728 3 1109.4465699 89502 303B6 9A7 B510A6 a-Alanine, conf. I
549183.0768 1.8938 -4.9728 3 1109.4465699 89502 303B610A7 B5 9A6 a-Alanine, conf. I
549221.9333 0.4775 -5.1118 3 488.8511333 89502 3035554 1 5453 1 a-Alanine, conf. I
549221.9333 0.4775 -3.9487 3 488.8511333 89502 3035554 1 5453 2 a-Alanine, conf. I
549221.9333 0.4775 -3.9487 3 488.8511333 89502 3035554 2 5453 1 a-Alanine, conf. I
549221.9333 0.4775 -5.1118 3 488.8511333 89502 3035554 2 5453 2 a-Alanine, conf. I
549227.7703 1.7119 -5.0415 3 1067.6849651 89502 303A82088 A72187 a-Alanine, conf. I
549227.7703 1.7119 -5.0415 3 1067.6849651 89502 303A82188 A72087 a-Alanine, conf. I
549272.0057 2.2933 -4.6899 3 623.0932471 89502 303783148 773047 a-Alanine, conf. I
549333.8110 0.3193 -5.1733 3 501.3770375 89502 303624616 614516 a-Alanine, conf. I
549333.8110 0.3193 -4.0669 3 501.3770375 89502 303624616 614517 a-Alanine, conf. I
549333.8110 0.3193 -4.0669 3 501.3770375 89502 303624617 614516 a-Alanine, conf. I
549333.8110 0.3193 -5.1733 3 501.3770375 89502 303624617 614517 a-Alanine, conf. I
549448.8182 2.8962 -5.3039 3 930.8098579 89502 303963363 953362 a-Alanine, conf. I
549529.4617 1.7185 -5.1151 3 1027.2858621 89502 303A32776 A22875 a-Alanine, conf. I
549529.4655 1.7185 -5.1151 3 1027.2858621 89502 303A32876 A22775 a-Alanine, conf. I
549626.0161 17.1392 -5.2194 3 873.7720561 89502 303933361 923260 a-Alanine, conf. I
549697.0083 1.2794 -5.1857 3 294.3989345 89502 303571245 561146 a-Alanine, conf. I
549697.0090 1.2794 -5.1857 3 294.3989345 89502 303571345 561046 a-Alanine, conf. I
549703.8322 2.9841 -4.9720 3 359.9156369 89502 303611843 601744 a-Alanine, conf. I
549773.6539 2.9575 -4.9719 3 359.9155369 89502 303611943 601644 a-Alanine, conf. I
549831.3212 1.6729 -5.0172 3 1087.8913669 89502 303B11695 B01794 a-Alanine, conf. I
549831.3212 1.6729 -5.0172 3 1087.8913669 89502 303B11795 B01694 a-Alanine, conf. I
549857.4192 1.7336 -5.0704 3 1054.5269639 89502 303A62383 A52482 a-Alanine, conf. I
549857.4192 1.7336 -5.0704 3 1054.5269639 89502 303A62483 A52382 a-Alanine, conf. I
549875.4162 2.7860 -4.9505 3 1125.3972723 89502 303C0 4B6 B9 5B5 a-Alanine, conf. I
549875.4162 2.7860 -4.9505 3 1125.3972723 89502 303C0 5B6 B9 4B5 a-Alanine, conf. I
549904.7811 2.1905 -5.2500 3 981.8326597 89502 303993267 983366 a-Alanine, conf. I
549935.3662 0.4204 -5.1195 3 490.6036339 89502 3035653 3 5552 3 a-Alanine, conf. I
549935.3662 0.4204 -3.9624 3 490.6036339 89502 3035653 3 5552 4 a-Alanine, conf. I
549935.3662 0.4204 -3.9624 3 490.6036339 89502 3035653 4 5552 3 a-Alanine, conf. I
549935.3662 0.4204 -5.1195 3 490.6036339 89502 3035653 4 5552 4 a-Alanine, conf. I
549961.3592 5.9046 -5.4215 3 984.9135591 89502 303983861 973860 a-Alanine, conf. I
549963.6284 0.3352 -5.1844 3 505.7557381 89502 303634518 624418 a-Alanine, conf. I
549963.6284 0.3352 -4.0879 3 505.7557381 89502 303634518 624419 a-Alanine, conf. I
549963.6284 0.3352 -4.0879 3 505.7557381 89502 303634519 624418 a-Alanine, conf. I
549963.6284 0.3352 -5.1844 3 505.7557381 89502 303634519 624419 a-Alanine, conf. I
550088.8847 3.1917 -5.4297 3 630.7353477 89502 303792951 782851 a-Alanine, conf. I
550109.0238 1.8107 -5.3987 3 526.2799453 89502 303751758 741658 a-Alanine, conf. I
550109.0239 1.8107 -5.3987 3 526.2799453 89502 303751858 741758 a-Alanine, conf. I
550120.6150 8.6192 -4.8501 3 668.2364489 89502 303813151 803050 a-Alanine, conf. I
550165.8479 6.2183 -5.2707 3 915.2410573 89502 303953461 943460 a-Alanine, conf. I
550210.8812 1.7068 -4.9957 3 1104.2584687 89502 303B412A2 B313A1 a-Alanine, conf. I
550210.8812 1.7068 -4.9957 3 1104.2584687 89502 303B413A2 B312A1 a-Alanine, conf. I
550250.0779 2.0254 -4.9740 3 1116.7798705 89502 303B7 8A9 B6 9A8 a-Alanine, conf. I
550250.0779 2.0254 -4.9740 3 1116.7798705 89502 303B7 9A9 B6 8A8 a-Alanine, conf. I
550340.8922 2.5015 -4.9625 3 423.0306393 89502 303652442 642143 a-Alanine, conf. I
550368.3451 1.9911 -5.3747 3 967.9153591 89502 303983465 973464 a-Alanine, conf. I
550380.8691 0.5805 -4.5599 3 598.1252459 89502 303763245 753144 a-Alanine, conf. I
550426.6022 0.5787 -5.3734 3 598.1252459 89502 303763244 753144 a-Alanine, conf. I
550466.3709 1.4181 -5.4136 3 623.0932471 89502 303783147 773047 a-Alanine, conf. I
550497.3942 1.7132 -5.0412 3 1077.6665657 89502 303A91990 A82089 a-Alanine, conf. I
550497.3942 1.7132 -5.0412 3 1077.6665657 89502 303A92090 A81989 a-Alanine, conf. I
550511.6300 1.2108 -5.4496 3 485.3103447 89502 303741262 731162 a-Alanine, conf. I
550511.6300 1.2108 -5.4496 3 485.3103447 89502 303741362 731262 a-Alanine, conf. I
550521.1104 6.7151 -5.4206 3 984.9363591 89502 303983860 973859 a-Alanine, conf. I
550543.0695 0.5840 -5.3732 3 598.1198459 89502 303763245 753145 a-Alanine, conf. I
550558.2509 6.5593 -5.3330 3 986.2736597 89502 303993366 983465 a-Alanine, conf. I
550570.1559 0.3537 -5.1959 3 510.4966387 89502 303644420 634320 a-Alanine, conf. I
550570.1559 0.3537 -4.1101 3 510.4966387 89502 303644420 634321 a-Alanine, conf. I
550570.1559 0.3537 -4.1101 3 510.4966387 89502 303644421 634320 a-Alanine, conf. I
550570.1559 0.3537 -5.1959 3 510.4966387 89502 303644421 634321 a-Alanine, conf. I
550588.8026 0.5907 -4.5596 3 598.1198459 89502 303763244 753145 a-Alanine, conf. I
550642.9697 0.3748 -5.1276 3 492.7020345 89502 3035752 5 5651 5 a-Alanine, conf. I
550642.9697 0.3748 -3.9770 3 492.7020345 89502 3035752 5 5651 6 a-Alanine, conf. I
550642.9697 0.3748 -3.9770 3 492.7020345 89502 3035752 6 5651 5 a-Alanine, conf. I
550642.9697 0.3748 -5.1276 3 492.7020345 89502 3035752 6 5651 6 a-Alanine, conf. I
550644.0675 1.7351 -5.1071 3 1039.0715627 89502 303A42678 A32777 a-Alanine, conf. I
550644.0677 1.7351 -5.1071 3 1039.0715627 89502 303A42778 A32677 a-Alanine, conf. I
550684.6954 1.6554 -5.3988 3 981.8326597 89502 303993367 983366 a-Alanine, conf. I
550715.8610 1.6911 -5.2063 3 995.3218603 89502 303A03169 993268 a-Alanine, conf. I
550782.4570 1.6734 -5.4222 3 995.3218603 89502 303A03269 993268 a-Alanine, conf. I
550791.6245 3.0678 -4.9510 3 1131.5020729 89502 303C1 3B8 C0 4B7 a-Alanine, conf. I
550791.6245 3.0678 -4.9510 3 1131.5020729 89502 303C1 4B8 C0 3B7 a-Alanine, conf. I
550829.0588 1.0074 -5.3095 3 276.0252339 89502 303561046 55 947 a-Alanine, conf. I
550829.0588 1.0074 -5.3095 3 276.0252339 89502 303561146 55 847 a-Alanine, conf. I
550840.4611 1.6647 -5.4221 3 995.3177603 89502 303A03169 993168 a-Alanine, conf. I
550894.3071 5.1040 -5.4198 3 341.1617351 89502 303582435 572136 a-Alanine, conf. I
550907.0571 1.6594 -5.2060 3 995.3177603 89502 303A03269 993168 a-Alanine, conf. I
550970.9380 3.4383 -5.3990 3 582.4555465 89502 303772354 762254 a-Alanine, conf. I
550993.5909 3.4210 -5.3990 3 582.4558465 89502 303772454 762354 a-Alanine, conf. I
551055.8115 1.6777 -5.0182 3 1096.9144675 89502 303B21597 B11696 a-Alanine, conf. I
551055.8115 1.6777 -5.0182 3 1096.9144675 89502 303B21697 B11596 a-Alanine, conf. I
551097.0470 3.7553 -4.7379 3 637.8816477 89502 303793149 783048 a-Alanine, conf. I
551112.4120 4.6270 -5.4139 3 605.0064471 89502 303782553 772453 a-Alanine, conf. I
551117.1067 1.7431 -5.0682 3 1065.2570645 89502 303A72285 A62384 a-Alanine, conf. I
551117.1067 1.7431 -5.0682 3 1065.2570645 89502 303A72385 A62284 a-Alanine, conf. I
551148.1357 0.3740 -5.2078 3 515.6034393 89502 303654322 644222 a-Alanine, conf. I
551148.1357 0.3740 -4.1336 3 515.6034393 89502 303654322 644223 a-Alanine, conf. I
551148.1357 0.3740 -4.1336 3 515.6034393 89502 303654323 644222 a-Alanine, conf. I
551148.1357 0.3740 -5.2078 3 515.6034393 89502 303654323 644223 a-Alanine, conf. I
551219.2907 1.7044 -5.1791 3 1008.4004609 89502 303A13071 A03170 a-Alanine, conf. I
551223.8912 1.7034 -5.4438 3 1008.4004609 89502 303A13171 A03170 a-Alanine, conf. I
551228.2912 1.7026 -5.4438 3 1008.4001609 89502 303A13071 A03070 a-Alanine, conf. I
551232.8917 1.7017 -5.1790 3 1008.4001609 89502 303A13171 A03070 a-Alanine, conf. I
551265.8448 15.4032 -5.4517 3 1009.0728603 89502 303A03466 993565 a-Alanine, conf. I
551281.7938 1.6792 -5.3977 3 981.7867597 89502 303993267 983266 a-Alanine, conf. I
551287.0314 2.1878 -4.9752 3 1123.8778711 89502 303B8 7B1 B7 8B0 a-Alanine, conf. I
551287.0314 2.1878 -4.9752 3 1123.8778711 89502 303B8 8B1 B7 7B0 a-Alanine, conf. I
551343.6976 0.3415 -5.1361 3 495.1477351 89502 3035851 7 5750 7 a-Alanine, conf. I
551343.6976 0.3415 -3.9923 3 495.1477351 89502 3035851 7 5750 8 a-Alanine, conf. I
551343.6976 0.3415 -3.9923 3 495.1477351 89502 3035851 8 5750 7 a-Alanine, conf. I
551343.6976 0.3415 -5.1361 3 495.1477351 89502 3035851 8 5750 8 a-Alanine, conf. I
551352.9535 1.7628 -4.9970 3 1112.3258693 89502 303B511A4 B412A3 a-Alanine, conf. I
551352.9535 1.7628 -4.9970 3 1112.3258693 89502 303B512A4 B411A3 a-Alanine, conf. I
551486.1555 1.9660 -5.0565 3 326.9684357 89502 303591544 581445 a-Alanine, conf. I
551486.4975 1.9658 -5.0565 3 326.9684357 89502 303591644 581345 a-Alanine, conf. I
551496.4098 2.4801 -5.3936 3 554.8087459 89502 303762056 751956 a-Alanine, conf. I
551496.4709 2.4800 -5.3936 3 554.8087459 89502 303762156 752056 a-Alanine, conf. I
551512.1630 5.8837 -4.7914 3 652.9255483 89502 303803150 793049 a-Alanine, conf. I
551653.6654 4.2410 -5.4131 3 605.0138471 89502 303782653 772553 a-Alanine, conf. I
551653.7630 3.4891 -4.9569 3 374.6479375 89502 303621943 611844 a-Alanine, conf. I
551673.1681 3.3793 -4.9514 3 1137.3613735 89502 303C2 2C0 C1 3B9 a-Alanine, conf. I
551673.1681 3.3793 -4.9514 3 1137.3613735 89502 303C2 3C0 C1 2B9 a-Alanine, conf. I
551690.9419 0.3953 -5.2203 3 521.0804399 89502 303664224 654124 a-Alanine, conf. I
551690.9419 0.3953 -4.1585 3 521.0804399 89502 303664224 654125 a-Alanine, conf. I
551690.9419 0.3953 -4.1585 3 521.0804399 89502 303664225 654124 a-Alanine, conf. I
551690.9419 0.3953 -5.2203 3 521.0804399 89502 303664225 654125 a-Alanine, conf. I
551754.6206 5.3139 -4.9431 3 404.6260387 89502 303642143 632044 a-Alanine, conf. I
551759.7406 1.7128 -5.0414 3 1087.4175663 89502 303B01892 A91991 a-Alanine, conf. I
551759.7406 1.7128 -5.0414 3 1087.4175663 89502 303B01992 A91891 a-Alanine, conf. I
551820.9003 1.7507 -5.1012 3 1050.5906633 89502 303A52580 A42679 a-Alanine, conf. I
551820.9003 1.7507 -5.1012 3 1050.5906633 89502 303A52680 A42579 a-Alanine, conf. I
551824.3405 4.3636 -5.4300 3 627.1936477 89502 303792852 782752 a-Alanine, conf. I
551867.0201 1.1942 -5.4697 3 479.2246447 89502 303741163 731063 a-Alanine, conf. I
551867.0201 1.1942 -5.4697 3 479.2246447 89502 303741263 731163 a-Alanine, conf. I
551920.2978 1.6449 -5.4080 3 520.8684453 89502 303751659 741559 a-Alanine, conf. I
551920.2978 1.6449 -5.4080 3 520.8684453 89502 303751759 741659 a-Alanine, conf. I
551921.8679 3.3862 -4.9566 3 374.6477375 89502 303622043 611744 a-Alanine, conf. I
551930.5159 3.2536 -5.3353 3 949.1374585 89502 303973364 963363 a-Alanine, conf. I
551954.5851 1.7265 -5.1602 3 1021.1189615 89502 303A22973 A13072 a-Alanine, conf. I
551954.8509 1.7265 -5.4640 3 1021.1189615 89502 303A23073 A13072 a-Alanine, conf. I
551955.1249 1.7264 -5.4640 3 1021.1189615 89502 303A22973 A12972 a-Alanine, conf. I
551955.3907 1.7264 -5.1602 3 1021.1189615 89502 303A23073 A12972 a-Alanine, conf. I
552002.5423 0.5833 -4.4941 3 588.3480453 89502 303753343 743242 a-Alanine, conf. I
552005.0977 0.5839 -5.3549 3 588.3480453 89502 303753342 743242 a-Alanine, conf. I
552012.6314 0.5856 -5.3548 3 588.3477453 89502 303753343 743243 a-Alanine, conf. I
552015.1868 0.5862 -4.4941 3 588.3477453 89502 303753342 743243 a-Alanine, conf. I
552036.2653 0.3206 -5.1451 3 497.9422357 89502 3035950 9 5849 9 a-Alanine, conf. I
552036.2653 0.3206 -4.0086 3 497.9422357 89502 3035950 9 584910 a-Alanine, conf. I
552036.2653 0.3206 -4.0086 3 497.9422357 89502 303595010 5849 9 a-Alanine, conf. I
552036.2653 0.3206 -5.1451 3 497.9422357 89502 303595010 584910 a-Alanine, conf. I
552044.5570 1.6170 -5.4292 3 634.1659477 89502 303793050 782950 a-Alanine, conf. I
552061.7080 2.2533 -5.2462 3 981.7867597 89502 303993367 983266 a-Alanine, conf. I
552067.3107 5.8716 -5.4045 3 980.3629591 89502 303983762 973761 a-Alanine, conf. I
552095.4520 18.4864 -5.0856 3 767.5428525 89502 303873256 863155 a-Alanine, conf. I
552190.1473 0.4176 -5.2332 3 526.9327405 89502 303674126 664026 a-Alanine, conf. I
552190.1473 0.4176 -4.1850 3 526.9327405 89502 303674126 664027 a-Alanine, conf. I
552190.1473 0.4176 -4.1850 3 526.9327405 89502 303674127 664026 a-Alanine, conf. I
552190.1473 0.4176 -5.2332 3 526.9327405 89502 303674127 664027 a-Alanine, conf. I
552260.9220 1.6899 -5.0194 3 1105.7092681 89502 303B31499 B21598 a-Alanine, conf. I
552260.9220 1.6899 -5.0194 3 1105.7092681 89502 303B31599 B21498 a-Alanine, conf. I
552292.8139 2.3818 -4.9763 3 1130.7384717 89502 303B9 6B3 B8 7B2 a-Alanine, conf. I
552292.8139 2.3818 -4.9763 3 1130.7384717 89502 303B9 7B3 B8 6B2 a-Alanine, conf. I
552385.8676 1.7495 -5.0669 3 1075.7486651 89502 303A82187 A72286 a-Alanine, conf. I
552385.8676 1.7495 -5.0669 3 1075.7486651 89502 303A82287 A72186 a-Alanine, conf. I
552468.5849 1.8423 -4.9984 3 1120.1619699 89502 303B610A6 B511A5 a-Alanine, conf. I
552468.5849 1.8423 -4.9984 3 1120.1619699 89502 303B611A6 B510A5 a-Alanine, conf. I
552519.2326 3.7198 -4.9517 3 1142.9725741 89502 303C3 1C2 C2 2C1 a-Alanine, conf. I
552519.2326 3.7198 -4.9517 3 1142.9725741 89502 303C3 2C2 C2 1C1 a-Alanine, conf. I
552590.4075 4.1906 -4.9469 3 389.5540381 89502 303632043 621944 a-Alanine, conf. I
552634.9095 0.4408 -5.2465 3 533.1662411 89502 303684028 673928 a-Alanine, conf. I
552634.9095 0.4408 -4.2133 3 533.1662411 89502 303684028 673929 a-Alanine, conf. I
552634.9095 0.4408 -4.2133 3 533.1662411 89502 303684029 673928 a-Alanine, conf. I
552634.9095 0.4408 -5.2465 3 533.1662411 89502 303684029 673929 a-Alanine, conf. I
552719.0961 0.3115 -5.1546 3 501.0872363 89502 303604911 594811 a-Alanine, conf. I
552719.0961 0.3115 -4.0258 3 501.0872363 89502 303604911 594812 a-Alanine, conf. I
552719.0961 0.3115 -4.0258 3 501.0872363 89502 303604912 594811 a-Alanine, conf. I
552719.0961 0.3115 -5.1546 3 501.0872363 89502 303604912 594812 a-Alanine, conf. I
552795.7765 0.6433 -5.4101 3 622.9757471 89502 303783148 773048 a-Alanine, conf. I
552805.9798 10.2420 -5.3111 3 936.4191579 89502 303963561 953560 a-Alanine, conf. I
552809.5715 14.5915 -4.9636 3 521.8901435 89502 303722646 712547 a-Alanine, conf. I
552843.3766 9.9390 -4.8400 3 601.4978465 89502 303772948 762849 a-Alanine, conf. I
552874.8135 0.5796 -4.4394 3 579.1112447 89502 303743441 733340 a-Alanine, conf. I
552874.9269 0.5796 -5.3375 3 579.1112447 89502 303743440 733340 a-Alanine, conf. I
552875.3041 0.5797 -5.3375 3 579.1112447 89502 303743441 733341 a-Alanine, conf. I
552875.4174 0.5797 -4.4394 3 579.1112447 89502 303743440 733341 a-Alanine, conf. I
552875.8312 1.7454 -5.1466 3 1033.5155621 89502 303A32875 A22974 a-Alanine, conf. I
552875.8718 1.7454 -5.1466 3 1033.5155621 89502 303A32975 A22874 a-Alanine, conf. I
552949.6708 3.2552 -5.3799 3 972.0209591 89502 303983564 973563 a-Alanine, conf. I
553010.8199 1.7121 -5.0421 3 1096.9390669 89502 303B11794 B01893 a-Alanine, conf. I
553010.8199 1.7121 -5.0421 3 1096.9390669 89502 303B11894 B01793 a-Alanine, conf. I
553011.0776 0.4650 -5.2604 3 539.7881417 89502 303693930 683830 a-Alanine, conf. I
553011.0776 0.4650 -4.2435 3 539.7881417 89502 303693930 683831 a-Alanine, conf. I
553011.0776 0.4650 -4.2435 3 539.7881417 89502 303693931 683830 a-Alanine, conf. I
553011.0776 0.4650 -5.2604 3 539.7881417 89502 303693931 683831 a-Alanine, conf. I
553039.4248 1.7648 -5.0971 3 1061.8536639 89502 303A62482 A52581 a-Alanine, conf. I
553039.4248 1.7648 -5.0971 3 1061.8536639 89502 303A62582 A52481 a-Alanine, conf. I
553063.6484 5.1029 -4.7700 3 619.4334471 89502 303783048 772949 a-Alanine, conf. I
553266.3843 2.6073 -4.9773 3 1137.3596723 89502 303C0 5B5 B9 6B4 a-Alanine, conf. I
553266.3843 2.6073 -4.9773 3 1137.3596723 89502 303C0 6B5 B9 5B4 a-Alanine, conf. I
553299.8498 0.4900 -5.2747 3 546.8070423 89502 303703832 693732 a-Alanine, conf. I
553299.8498 0.4900 -4.2760 3 546.8070423 89502 303703832 693733 a-Alanine, conf. I
553299.8498 0.4900 -4.2760 3 546.8070423 89502 303703833 693732 a-Alanine, conf. I
553299.8498 0.4900 -5.2747 3 546.8070423 89502 303703833 693733 a-Alanine, conf. I
553301.9571 2.0994 -5.4338 3 637.8816477 89502 303793148 783048 a-Alanine, conf. I
553329.0473 4.0886 -4.9517 3 1148.3330747 89502 303C4 0C4 C3 1C3 a-Alanine, conf. I
553329.0473 4.0886 -4.9517 3 1148.3330747 89502 303C4 1C4 C3 0C3 a-Alanine, conf. I
553329.1521 0.5632 -4.3919 3 570.3659441 89502 303733539 723438 a-Alanine, conf. I
553329.1562 0.5632 -5.3209 3 570.3659441 89502 303733538 723438 a-Alanine, conf. I
553329.1712 0.5632 -5.3209 3 570.3659441 89502 303733539 723439 a-Alanine, conf. I
553329.1752 0.5632 -4.3919 3 570.3659441 89502 303733538 723439 a-Alanine, conf. I
553390.2535 0.3123 -5.1645 3 504.5848369 89502 303614813 604713 a-Alanine, conf. I
553390.2535 0.3123 -4.0440 3 504.5848369 89502 303614813 604714 a-Alanine, conf. I
553390.2535 0.3123 -4.0440 3 504.5848369 89502 303614814 604713 a-Alanine, conf. I
553390.2535 0.3123 -5.1645 3 504.5848369 89502 303614814 604714 a-Alanine, conf. I
553404.0976 10.7124 -5.3564 3 958.1661585 89502 303973661 963660 a-Alanine, conf. I
553422.7655 4.9294 -5.3899 3 976.1033591 89502 303983663 973662 a-Alanine, conf. I
553444.4365 1.7134 -5.0208 3 1114.2752687 89502 303B413A1 B314A0 a-Alanine, conf. I
553444.4365 1.7134 -5.0208 3 1114.2752687 89502 303B414A1 B313A0 a-Alanine, conf. I
553475.6708 0.5156 -5.2895 3 554.2335429 89502 303713734 703634 a-Alanine, conf. I
553475.6708 0.5156 -4.3112 3 554.2335429 89502 303713734 703635 a-Alanine, conf. I
553475.6708 0.5156 -4.3112 3 554.2335429 89502 303713735 703634 a-Alanine, conf. I
553475.6708 0.5156 -5.2895 3 554.2335429 89502 303713735 703635 a-Alanine, conf. I
553502.7779 0.5406 -4.3496 3 562.0808435 89502 303723637 713536 a-Alanine, conf. I
553502.7780 0.5406 -5.3049 3 562.0808435 89502 303723636 713536 a-Alanine, conf. I
553502.7785 0.5406 -5.3049 3 562.0808435 89502 303723637 713537 a-Alanine, conf. I
553502.7786 0.5406 -4.3496 3 562.0808435 89502 303723636 713537 a-Alanine, conf. I
553535.8660 3.8296 -4.9457 3 389.5529381 89502 303632143 621844 a-Alanine, conf. I
553556.3377 1.9488 -4.9998 3 1127.7653705 89502 303B7 9A8 B610A7 a-Alanine, conf. I
553556.3377 1.9488 -4.9998 3 1127.7653705 89502 303B710A8 B6 9A7 a-Alanine, conf. I
553613.2758 1.5030 -5.4188 3 515.2942453 89502 303751560 741460 a-Alanine, conf. I
553613.2758 1.5030 -5.4188 3 515.2942453 89502 303751660 741560 a-Alanine, conf. I
553656.6433 1.7530 -5.0664 3 1086.0051657 89502 303A92089 A82188 a-Alanine, conf. I
553656.6433 1.7530 -5.0664 3 1086.0051657 89502 303A92189 A82088 a-Alanine, conf. I
553768.3441 2.2451 -5.3990 3 549.8085459 89502 303761957 751857 a-Alanine, conf. I
553768.3494 2.2451 -5.3990 3 549.8085459 89502 303762057 751957 a-Alanine, conf. I
553901.6010 0.5245 -5.1154 3 497.2163333 89502 3035555 0 5454 0 a-Alanine, conf. I
553901.6010 0.5245 -3.9494 3 497.2163333 89502 3035555 0 5454 1 a-Alanine, conf. I
553901.6010 0.5245 -3.9494 3 497.2163333 89502 3035555 1 5454 0 a-Alanine, conf. I
553901.6010 0.5245 -5.1154 3 497.2163333 89502 3035555 1 5454 1 a-Alanine, conf. I
553921.7377 1.7628 -5.1367 3 1045.6161627 89502 303A42777 A32876 a-Alanine, conf. I
553921.7395 1.7628 -5.1367 3 1045.6161627 89502 303A42877 A32776 a-Alanine, conf. I
553990.1418 1.2854 -4.6840 3 622.9757471 89502 303783147 773048 a-Alanine, conf. I
554005.7162 5.7430 -5.4322 3 623.3896477 89502 303792653 782553 a-Alanine, conf. I
554047.3561 0.3209 -5.1749 3 508.4370375 89502 303624715 614615 a-Alanine, conf. I
554047.3561 0.3209 -4.0632 3 508.4370375 89502 303624715 614616 a-Alanine, conf. I
554047.3561 0.3209 -4.0632 3 508.4370375 89502 303624716 614615 a-Alanine, conf. I
554047.3561 0.3209 -5.1749 3 508.4370375 89502 303624716 614616 a-Alanine, conf. I
554074.2841 3.0801 -5.4013 3 577.9341465 89502 303772255 762155 a-Alanine, conf. I
554076.7049 5.8742 -5.4616 3 1008.0526597 89502 303993961 983960 a-Alanine, conf. I
554077.0349 3.0779 -5.4013 3 577.9341465 89502 303772355 762255 a-Alanine, conf. I
554206.7726 2.8640 -4.9781 3 1143.7391729 89502 303C1 4B7 C0 5B6 a-Alanine, conf. I
554206.7726 2.8640 -4.9781 3 1143.7391729 89502 303C1 5B7 C0 4B6 a-Alanine, conf. I
554207.2215 1.4902 -5.1408 3 308.4820351 89502 303581345 571246 a-Alanine, conf. I
554207.2260 1.4902 -5.1408 3 308.4820351 89502 303581445 571146 a-Alanine, conf. I
554247.2780 1.7131 -5.0431 3 1106.2317675 89502 303B21696 B11795 a-Alanine, conf. I
554247.2780 1.7131 -5.0431 3 1106.2317675 89502 303B21796 B11695 a-Alanine, conf. I
554259.6255 6.1661 -5.4613 3 1008.0595597 89502 303993960 983959 a-Alanine, conf. I
554284.8377 1.7767 -5.0943 3 1072.8682645 89502 303A72384 A62483 a-Alanine, conf. I
554284.8377 1.7767 -5.0943 3 1072.8682645 89502 303A72484 A62383 a-Alanine, conf. I
554394.5706 1.9201 -5.2592 3 1000.2015603 89502 303A03268 993367 a-Alanine, conf. I
554524.6101 3.0198 -5.3662 3 967.5478591 89502 303983365 973364 a-Alanine, conf. I
554604.4024 1.7524 -5.0223 3 1122.6114693 89502 303B512A3 B413A2 a-Alanine, conf. I
554604.4024 1.7524 -5.0223 3 1122.6114693 89502 303B513A3 B412A2 a-Alanine, conf. I
554614.9026 2.0848 -5.0013 3 1135.1342711 89502 303B8 8B0 B7 9A9 a-Alanine, conf. I
554614.9026 2.0848 -5.0013 3 1135.1342711 89502 303B8 9B0 B7 8A9 a-Alanine, conf. I
554617.1103 0.4608 -5.1228 3 498.8082339 89502 3035654 2 5553 2 a-Alanine, conf. I
554617.1103 0.4608 -3.9626 3 498.8082339 89502 3035654 2 5553 3 a-Alanine, conf. I
554617.1103 0.4608 -3.9626 3 498.8082339 89502 3035654 3 5553 2 a-Alanine, conf. I
554617.1103 0.4608 -5.1228 3 498.8082339 89502 3035654 3 5553 3 a-Alanine, conf. I
554636.9717 9.0233 -5.4003 3 980.4853591 89502 303983761 973760 a-Alanine, conf. I
554687.4671 0.3348 -5.1858 3 512.6465381 89502 303634617 624517 a-Alanine, conf. I
554687.4671 0.3348 -4.0835 3 512.6465381 89502 303634617 624518 a-Alanine, conf. I
554687.4671 0.3348 -4.0835 3 512.6465381 89502 303634618 624517 a-Alanine, conf. I
554687.4671 0.3348 -5.1858 3 512.6465381 89502 303634618 624518 a-Alanine, conf. I
554706.8228 1.8510 -5.4017 3 986.2736597 89502 303993466 983465 a-Alanine, conf. I
554724.4241 0.6308 -4.5934 3 612.3541465 89502 303773246 763145 a-Alanine, conf. I
554782.5042 4.1912 -4.9400 3 404.6216387 89502 303642243 631944 a-Alanine, conf. I
554818.6768 0.6102 -5.3908 3 612.3541465 89502 303773245 763145 a-Alanine, conf. I
554829.7279 1.6925 -5.4263 3 1000.2015603 89502 303A03368 993367 a-Alanine, conf. I
554923.7785 1.7540 -5.0665 3 1096.0291663 89502 303B01991 A92090 a-Alanine, conf. I
554923.7785 1.7540 -5.0665 3 1096.0291663 89502 303B02091 A91990 a-Alanine, conf. I
554960.6546 1.7295 -5.2214 3 1013.6940609 89502 303A13170 A03269 a-Alanine, conf. I
554995.8800 1.7206 -5.4495 3 1013.6940609 89502 303A13270 A03269 a-Alanine, conf. I
555027.2506 1.7152 -5.4494 3 1013.6917609 89502 303A13170 A03169 a-Alanine, conf. I
555033.3090 20.0027 -5.2116 3 856.0948555 89502 303923360 913259 a-Alanine, conf. I
555047.8519 0.6016 -5.3904 3 612.3434465 89502 303773246 763146 a-Alanine, conf. I
555051.5958 1.7794 -5.1296 3 1057.4390633 89502 303A52679 A42778 a-Alanine, conf. I
555051.5959 1.7794 -5.1296 3 1057.4390633 89502 303A52779 A42678 a-Alanine, conf. I
555062.4760 1.7101 -5.2213 3 1013.6917609 89502 303A13270 A03169 a-Alanine, conf. I
555107.1913 2.2726 -5.0281 3 341.3992363 89502 303601644 591545 a-Alanine, conf. I
555108.9001 2.2719 -5.0281 3 341.3992363 89502 303601744 591445 a-Alanine, conf. I
555113.0707 3.1513 -4.9789 3 1149.8744735 89502 303C2 3B9 C1 4B8 a-Alanine, conf. I
555113.0707 3.1513 -4.9789 3 1149.8744735 89502 303C2 4B9 C1 3B8 a-Alanine, conf. I
555142.1045 0.6145 -4.5928 3 612.3434465 89502 303773245 763146 a-Alanine, conf. I
555174.4849 1.6825 -5.4256 3 1000.1755603 89502 303A03268 993267 a-Alanine, conf. I
555204.1351 1.3883 -5.4314 3 509.5614453 89502 303751461 741361 a-Alanine, conf. I
555204.1351 1.3883 -5.4314 3 509.5614453 89502 303751561 741461 a-Alanine, conf. I
555230.2079 7.5664 -5.4536 3 641.8692483 89502 303802753 792653 a-Alanine, conf. I
555306.9516 0.3523 -5.1971 3 517.2162387 89502 303644519 634419 a-Alanine, conf. I
555306.9516 0.3523 -4.1049 3 517.2162387 89502 303644519 634420 a-Alanine, conf. I
555306.9516 0.3523 -4.1049 3 517.2162387 89502 303644520 634419 a-Alanine, conf. I
555306.9516 0.3523 -5.1971 3 517.2162387 89502 303644520 634420 a-Alanine, conf. I
555327.2150 0.4082 -5.1307 3 500.7453345 89502 3035753 4 5652 4 a-Alanine, conf. I
555327.2150 0.4082 -3.9767 3 500.7453345 89502 3035753 4 5652 5 a-Alanine, conf. I
555327.2150 0.4082 -3.9767 3 500.7453345 89502 3035753 5 5652 4 a-Alanine, conf. I
555327.2150 0.4082 -5.1307 3 500.7453345 89502 3035753 5 5652 5 a-Alanine, conf. I
555461.2460 2.9361 -5.4550 3 652.9255483 89502 303803149 793049 a-Alanine, conf. I
555466.2550 1.7187 -5.0444 3 1115.2957681 89502 303B31598 B21697 a-Alanine, conf. I
555466.2550 1.7187 -5.0444 3 1115.2957681 89502 303B31698 B21597 a-Alanine, conf. I
555466.7158 3.9077 -5.4137 3 600.8339471 89502 303782454 772354 a-Alanine, conf. I
555512.1670 1.7502 -5.1970 3 1026.7873615 89502 303A23072 A13171 a-Alanine, conf. I
555519.1000 1.7487 -5.1970 3 1026.7871615 89502 303A23172 A13071 a-Alanine, conf. I
555546.0822 1.7857 -5.0926 3 1083.6403651 89502 303A82286 A72385 a-Alanine, conf. I
555546.0822 1.7857 -5.0926 3 1083.6403651 89502 303A82386 A72285 a-Alanine, conf. I
555551.6281 3.8427 -5.4136 3 600.8349471 89502 303782554 772454 a-Alanine, conf. I
555609.6422 1.8795 -5.2571 3 1000.1755603 89502 303A03368 993267 a-Alanine, conf. I
555643.0794 2.2519 -5.0026 3 1142.2667717 89502 303B9 7B2 B8 8B1 a-Alanine, conf. I
555643.0794 2.2519 -5.0026 3 1142.2667717 89502 303B9 8B2 B8 7B1 a-Alanine, conf. I
555660.7693 4.6060 -5.4298 3 623.4150477 89502 303792753 782653 a-Alanine, conf. I
555736.0687 3.7788 -5.2950 3 933.5925579 89502 303963462 953461 a-Alanine, conf. I
555739.0825 1.8115 -5.0239 3 1130.7169699 89502 303B611A5 B512A4 a-Alanine, conf. I
555739.0825 1.8115 -5.0239 3 1130.7169699 89502 303B612A5 B511A4 a-Alanine, conf. I
555768.9876 1.1419 -5.2492 3 289.9435345 89502 303571146 561047 a-Alanine, conf. I
555768.9876 1.1419 -5.2492 3 289.9435345 89502 303571246 56 947 a-Alanine, conf. I
555850.5015 2.0343 -5.4055 3 544.6295459 89502 303761858 751758 a-Alanine, conf. I
555850.5019 2.0343 -5.4055 3 544.6295459 89502 303761958 751858 a-Alanine, conf. I
555901.2886 0.3720 -5.2089 3 522.1494393 89502 303654421 644321 a-Alanine, conf. I
555901.2886 0.3720 -4.1276 3 522.1494393 89502 303654421 644322 a-Alanine, conf. I
555901.2886 0.3720 -4.1276 3 522.1494393 89502 303654422 644321 a-Alanine, conf. I
555901.2886 0.3720 -5.2089 3 522.1494393 89502 303654422 644322 a-Alanine, conf. I
555984.4248 3.4685 -4.9795 3 1155.7631741 89502 303C3 2C1 C2 3C0 a-Alanine, conf. I
555984.4248 3.4685 -4.9795 3 1155.7631741 89502 303C3 3C1 C2 2C0 a-Alanine, conf. I
556030.9911 0.3677 -5.1390 3 503.0289351 89502 3035852 6 5751 6 a-Alanine, conf. I
556030.9911 0.3677 -3.9915 3 503.0289351 89502 3035852 6 5751 7 a-Alanine, conf. I
556030.9911 0.3677 -3.9915 3 503.0289351 89502 3035852 7 5751 6 a-Alanine, conf. I
556030.9911 0.3677 -5.1390 3 503.0289351 89502 3035852 7 5751 7 a-Alanine, conf. I
556167.7585 9.0430 -4.9634 3 447.4897405 89502 303672344 662245 a-Alanine, conf. I
556182.6532 1.7533 -5.0671 3 1105.8222669 89502 303B11893 B01992 a-Alanine, conf. I
556182.6532 1.7533 -5.0671 3 1105.8222669 89502 303B11993 B01892 a-Alanine, conf. I
556218.1311 6.1659 -5.4440 3 1003.2583597 89502 303993862 983861 a-Alanine, conf. I
556238.2853 1.7950 -5.1245 3 1068.9974639 89502 303A62581 A52680 a-Alanine, conf. I
556238.2853 1.7950 -5.1245 3 1068.9974639 89502 303A62681 A52580 a-Alanine, conf. I
556260.2666 4.2409 -4.9413 3 419.8396393 89502 303652343 642044 a-Alanine, conf. I
556296.1948 1.7717 -5.1800 3 1039.5301621 89502 303A32974 A23073 a-Alanine, conf. I
556296.5906 1.7717 -5.1800 3 1039.5301621 89502 303A33074 A22973 a-Alanine, conf. I
556464.8194 0.3931 -5.2211 3 527.4501399 89502 303664323 654223 a-Alanine, conf. I
556464.8194 0.3931 -4.1516 3 527.4501399 89502 303664323 654224 a-Alanine, conf. I
556464.8194 0.3931 -4.1516 3 527.4501399 89502 303664324 654223 a-Alanine, conf. I
556464.8194 0.3931 -5.2211 3 527.4501399 89502 303664324 654224 a-Alanine, conf. I
556468.8910 0.9687 -5.3909 3 271.3817339 89502 30356 947 55 848 a-Alanine, conf. I
556468.8910 0.9687 -5.3909 3 271.3817339 89502 303561047 55 748 a-Alanine, conf. I
556492.7339 4.4330 -5.3308 3 1004.7766603 89502 303A03367 993466 a-Alanine, conf. I
556639.7610 2.4508 -5.0039 3 1149.1609723 89502 303C0 6B4 B9 7B3 a-Alanine, conf. I
556639.7610 2.4508 -5.0039 3 1149.1609723 89502 303C0 7B4 B9 6B3 a-Alanine, conf. I
556665.2803 1.7322 -5.0459 3 1124.1306687 89502 303B414A0 B31599 a-Alanine, conf. I
556665.2803 1.7322 -5.0459 3 1124.1306687 89502 303B415A0 B31499 a-Alanine, conf. I
556705.8545 1.3047 -5.4461 3 503.6734453 89502 303751362 741262 a-Alanine, conf. I
556705.8545 1.3047 -5.4461 3 503.6734453 89502 303751462 741362 a-Alanine, conf. I
556714.8012 0.5976 -4.5235 3 602.3150459 89502 303763344 753243 a-Alanine, conf. I
556716.3097 15.1607 -4.9517 3 552.4374447 89502 303742747 732648 a-Alanine, conf. I
556720.4554 0.5987 -5.3716 3 602.3150459 89502 303763343 753243 a-Alanine, conf. I
556727.3057 0.3397 -5.1478 3 505.6604357 89502 3035951 8 5850 8 a-Alanine, conf. I
556727.3057 0.3397 -4.0073 3 505.6604357 89502 3035951 8 5850 9 a-Alanine, conf. I
556727.3057 0.3397 -4.0073 3 505.6604357 89502 3035951 9 5850 8 a-Alanine, conf. I
556727.3057 0.3397 -5.1478 3 505.6604357 89502 3035951 9 5850 9 a-Alanine, conf. I
556736.5139 0.6017 -5.3716 3 602.3143459 89502 303763344 753244 a-Alanine, conf. I
556742.1681 0.6029 -4.5234 3 602.3143459 89502 303763343 753244 a-Alanine, conf. I
556802.6907 2.7804 -5.4047 3 573.2047465 89502 303772156 762056 a-Alanine, conf. I
556802.9843 2.7802 -5.4047 3 573.2047465 89502 303772256 762156 a-Alanine, conf. I
556814.6541 1.7917 -5.0918 3 1094.1742657 89502 303A92188 A82287 a-Alanine, conf. I
556814.6541 1.7917 -5.0918 3 1094.1742657 89502 303A92288 A82187 a-Alanine, conf. I
556820.0294 3.8148 -4.9799 3 1161.4026747 89502 303C4 1C3 C3 2C2 a-Alanine, conf. I
556820.0294 3.8148 -4.9799 3 1161.4026747 89502 303C4 2C3 C3 1C2 a-Alanine, conf. I
556846.9170 1.8945 -5.0256 3 1138.5903705 89502 303B710A7 B611A6 a-Alanine, conf. I
556846.9170 1.8945 -5.0256 3 1138.5903705 89502 303B711A7 B610A6 a-Alanine, conf. I
556990.4047 0.4152 -5.2338 3 533.1227405 89502 303674225 664125 a-Alanine, conf. I
556990.4047 0.4152 -4.1771 3 533.1227405 89502 303674225 664126 a-Alanine, conf. I
556990.4047 0.4152 -4.1771 3 533.1227405 89502 303674226 664125 a-Alanine, conf. I
556990.4047 0.4152 -5.2338 3 533.1227405 89502 303674226 664126 a-Alanine, conf. I
556994.8684 3.8515 -5.4476 3 645.6005483 89502 303802952 792852 a-Alanine, conf. I
557187.1461 7.5489 -5.4424 3 1003.2997597 89502 303993861 983860 a-Alanine, conf. I
557249.7468 1.7904 -5.1678 3 1051.9574627 89502 303A42876 A32975 a-Alanine, conf. I
557249.7661 1.7904 -5.1678 3 1051.9574627 89502 303A42976 A32875 a-Alanine, conf. I
557260.7039 0.7414 -5.4282 3 637.6760477 89502 303793149 783049 a-Alanine, conf. I
557414.7710 0.3241 -5.1570 3 508.6415363 89502 303605010 594910 a-Alanine, conf. I
557414.7710 0.3241 -4.0239 3 508.6415363 89502 303605010 594911 a-Alanine, conf. I
557414.7710 0.3241 -4.0239 3 508.6415363 89502 303605011 594910 a-Alanine, conf. I
557414.7710 0.3241 -5.1570 3 508.6415363 89502 303605011 594911 a-Alanine, conf. I
557417.6210 2.5635 -5.3964 3 986.0448597 89502 303993366 983365 a-Alanine, conf. I
557429.4285 1.7526 -5.0681 3 1115.3855675 89502 303B21795 B11894 a-Alanine, conf. I
557429.4285 1.7526 -5.0681 3 1115.3855675 89502 303B21895 B11794 a-Alanine, conf. I
557462.8629 1.8088 -5.1210 3 1080.3010645 89502 303A72483 A62582 a-Alanine, conf. I
557462.8629 1.8088 -5.1210 3 1080.3010645 89502 303A72583 A62482 a-Alanine, conf. I
557468.9480 0.4383 -5.2470 3 539.1726411 89502 303684127 674027 a-Alanine, conf. I
557468.9480 0.4383 -4.2042 3 539.1726411 89502 303684127 674028 a-Alanine, conf. I
557468.9480 0.4383 -4.2042 3 539.1726411 89502 303684128 674027 a-Alanine, conf. I
557468.9480 0.4383 -5.2470 3 539.1726411 89502 303684128 674028 a-Alanine, conf. I
557585.7804 2.2217 -5.4473 3 649.0843483 89502 303803051 792951 a-Alanine, conf. I
557603.9201 2.6815 -5.0051 3 1155.8146729 89502 303C1 5B6 C0 6B5 a-Alanine, conf. I
557603.9201 2.6815 -5.0051 3 1155.8146729 89502 303C1 6B6 C0 5B5 a-Alanine, conf. I
557619.1212 4.1897 -4.9801 3 1166.7901753 89502 303C5 0C5 C4 1C4 a-Alanine, conf. I
557619.1212 4.1897 -4.9801 3 1166.7901753 89502 303C5 1C5 C4 0C4 a-Alanine, conf. I
557758.5854 0.5990 -4.4662 3 592.8366453 89502 303753442 743341 a-Alanine, conf. I
557758.8534 0.5991 -5.3537 3 592.8366453 89502 303753441 743341 a-Alanine, conf. I
557759.7168 0.5993 -5.3537 3 592.8366453 89502 303753442 743342 a-Alanine, conf. I
557759.9847 0.5994 -4.4662 3 592.8366453 89502 303753441 743342 a-Alanine, conf. I
557775.7554 1.8459 -5.4133 3 539.2784459 89502 303761759 751659 a-Alanine, conf. I
557775.7554 1.8459 -5.4133 3 539.2784459 89502 303761859 751759 a-Alanine, conf. I
557839.5204 2.8139 -5.4059 3 990.4653597 89502 303993565 983564 a-Alanine, conf. I
557842.1954 1.7575 -5.0476 3 1132.7361693 89502 303B513A2 B414A1 a-Alanine, conf. I
557842.1954 1.7575 -5.0476 3 1132.7361693 89502 303B514A2 B413A1 a-Alanine, conf. I
557888.7166 0.4623 -5.2607 3 545.6062417 89502 303694029 683929 a-Alanine, conf. I
557888.7166 0.4623 -4.2332 3 545.6062417 89502 303694029 683930 a-Alanine, conf. I
557888.7166 0.4623 -4.2332 3 545.6062417 89502 303694030 683929 a-Alanine, conf. I
557888.7166 0.4623 -5.2607 3 545.6062417 89502 303694030 683930 a-Alanine, conf. I
557926.4944 2.0050 -5.0273 3 1146.2299711 89502 303B8 9A9 B710A8 a-Alanine, conf. I
557926.4944 2.0050 -5.0273 3 1146.2299711 89502 303B810A9 B7 9A8 a-Alanine, conf. I
558083.8489 1.7947 -5.0918 3 1104.4731663 89502 303B02090 A92189 a-Alanine, conf. I
558083.8489 1.7947 -5.0918 3 1104.4731663 89502 303B02190 A92089 a-Alanine, conf. I
558091.6868 0.3196 -5.1667 3 511.9738369 89502 303614912 604812 a-Alanine, conf. I
558091.6868 0.3196 -4.0415 3 511.9738369 89502 303614912 604813 a-Alanine, conf. I
558091.6868 0.3196 -4.0415 3 511.9738369 89502 303614913 604812 a-Alanine, conf. I
558091.6868 0.3196 -5.1667 3 511.9738369 89502 303614913 604813 a-Alanine, conf. I
558201.0896 5.8614 -5.4275 3 998.7779597 89502 303993763 983762 a-Alanine, conf. I
558234.3452 0.4872 -5.2748 3 552.4309423 89502 303703931 693831 a-Alanine, conf. I
558234.3452 0.4872 -4.2641 3 552.4309423 89502 303703931 693832 a-Alanine, conf. I
558234.3452 0.4872 -4.2641 3 552.4309423 89502 303703932 693831 a-Alanine, conf. I
558234.3452 0.4872 -5.2748 3 552.4309423 89502 303703932 693832 a-Alanine, conf. I
558316.7643 1.8078 -5.1589 3 1064.0929633 89502 303A52778 A42877 a-Alanine, conf. I
558316.7651 1.8078 -5.1589 3 1064.0929633 89502 303A52878 A42777 a-Alanine, conf. I
558325.0298 0.5854 -4.4169 3 583.8615447 89502 303743540 733439 a-Alanine, conf. I
558325.0400 0.5854 -5.3367 3 583.8615447 89502 303743539 733439 a-Alanine, conf. I
558325.0768 0.5854 -5.3367 3 583.8615447 89502 303743540 733440 a-Alanine, conf. I
558325.0870 0.5854 -4.4169 3 583.8615447 89502 303743539 733440 a-Alanine, conf. I
558356.3214 2.6194 -5.0043 3 356.0229369 89502 303611744 601645 a-Alanine, conf. I
558364.2409 2.6162 -5.0043 3 356.0229369 89502 303611844 601545 a-Alanine, conf. I
558481.6036 1.7331 -5.1022 3 322.7702357 89502 303591445 581346 a-Alanine, conf. I
558481.6307 1.7331 -5.1022 3 322.7702357 89502 303591545 581246 a-Alanine, conf. I
558485.3228 0.5129 -5.2895 3 559.6559429 89502 303713833 703733 a-Alanine, conf. I
558485.3228 0.5129 -4.2975 3 559.6559429 89502 303713833 703734 a-Alanine, conf. I
558485.3228 0.5129 -4.2975 3 559.6559429 89502 303713834 703733 a-Alanine, conf. I
558485.3228 0.5129 -5.2895 3 559.6559429 89502 303713834 703734 a-Alanine, conf. I
558534.5990 2.9435 -5.0062 3 1162.2254735 89502 303C2 4B8 C1 5B7 a-Alanine, conf. I
558534.5990 2.9435 -5.0062 3 1162.2254735 89502 303C2 5B8 C1 4B7 a-Alanine, conf. I
558579.5867 0.5639 -4.3731 3 575.3550441 89502 303733638 723537 a-Alanine, conf. I
558579.5870 0.5639 -5.3204 3 575.3550441 89502 303733637 723537 a-Alanine, conf. I
558579.5882 0.5639 -5.3204 3 575.3550441 89502 303733638 723538 a-Alanine, conf. I
558579.5885 0.5639 -4.3731 3 575.3550441 89502 303733637 723538 a-Alanine, conf. I
558613.5984 0.5389 -5.3047 3 567.2926435 89502 303723735 713635 a-Alanine, conf. I
558613.5984 0.5389 -4.3336 3 567.2926435 89502 303723735 713636 a-Alanine, conf. I
558613.5984 0.5389 -4.3336 3 567.2926435 89502 303723736 713635 a-Alanine, conf. I
558613.5984 0.5389 -5.3047 3 567.2926435 89502 303723736 713636 a-Alanine, conf. I
558660.8648 1.7541 -5.0695 3 1124.7194681 89502 303B31697 B21796 a-Alanine, conf. I
558660.8648 1.7541 -5.0695 3 1124.7194681 89502 303B31797 B21696 a-Alanine, conf. I
558711.5370 1.8203 -5.1188 3 1091.3572651 89502 303A82385 A72484 a-Alanine, conf. I
558711.5370 1.8203 -5.1188 3 1091.3572651 89502 303A82485 A72384 a-Alanine, conf. I
558728.9313 2.2749 -5.0868 3 425.7409393 89502 303652541 642242 a-Alanine, conf. I
558740.7875 1.8332 -5.2709 3 1018.7086609 89502 303A13269 A03368 a-Alanine, conf. I
558755.9683 0.3242 -5.1769 3 515.6595375 89502 303624814 614714 a-Alanine, conf. I
558755.9683 0.3242 -4.0601 3 515.6595375 89502 303624814 614715 a-Alanine, conf. I
558755.9683 0.3242 -4.0601 3 515.6595375 89502 303624815 614714 a-Alanine, conf. I
558755.9683 0.3242 -5.1769 3 515.6595375 89502 303624815 614715 a-Alanine, conf. I
558857.0103 0.7675 -4.6289 3 626.7958471 89502 303783247 773146 a-Alanine, conf. I
558943.1488 1.7930 -5.4294 3 1004.7766603 89502 303A03467 993466 a-Alanine, conf. I
558948.2326 3.4620 -5.4150 3 596.4160471 89502 303782355 772255 a-Alanine, conf. I
558959.5999 3.4529 -5.4150 3 596.4161471 89502 303782455 772355 a-Alanine, conf. I
558976.5273 2.1455 -5.0289 3 1153.6341717 89502 303B9 8B1 B8 9B0 a-Alanine, conf. I
558976.5273 2.1455 -5.0289 3 1153.6341717 89502 303B9 9B1 B8 8B0 a-Alanine, conf. I
558978.6234 16.5954 -5.0385 3 750.8948519 89502 303863255 853154 a-Alanine, conf. I
558980.3622 1.7364 -5.4541 3 1018.7086609 89502 303A13369 A03368 a-Alanine, conf. I
558995.0936 1.7991 -5.0494 3 1141.1110699 89502 303B612A4 B513A3 a-Alanine, conf. I
558995.0936 1.7991 -5.0494 3 1141.1110699 89502 303B613A4 B512A3 a-Alanine, conf. I
559046.9996 0.6834 -5.4089 3 626.7958471 89502 303783246 773146 a-Alanine, conf. I
559054.2919 4.5474 -5.4142 3 994.5635597 89502 303993664 983663 a-Alanine, conf. I
559101.9585 4.0069 -5.1606 3 413.4570387 89502 303642540 632241 a-Alanine, conf. I
559175.9448 1.7198 -5.4537 3 1018.6941609 89502 303A13269 A03268 a-Alanine, conf. I
559209.9087 1.7732 -5.2378 3 1032.2066615 89502 303A23171 A13270 a-Alanine, conf. I
559252.3249 2.5174 -5.4090 3 568.2802465 89502 303772057 761957 a-Alanine, conf. I
559252.3527 2.5173 -5.4090 3 568.2802465 89502 303772157 762057 a-Alanine, conf. I
559263.5870 1.7620 -5.2377 3 1032.2055615 89502 303A23271 A13170 a-Alanine, conf. I
559297.5134 0.5055 -5.1266 3 507.1712339 89502 3035655 1 5554 1 a-Alanine, conf. I
559297.5134 0.5055 -3.9633 3 507.1712339 89502 3035655 1 5554 2 a-Alanine, conf. I
559297.5134 0.5055 -3.9633 3 507.1712339 89502 3035655 2 5554 1 a-Alanine, conf. I
559297.5134 0.5055 -5.1266 3 507.1712339 89502 3035655 2 5554 2 a-Alanine, conf. I
559348.2665 1.7953 -5.0923 3 1114.5394669 89502 303B11992 B02091 a-Alanine, conf. I
559348.2665 1.7953 -5.0923 3 1114.5394669 89502 303B12092 B01991 a-Alanine, conf. I
559364.2464 3.5627 -4.9565 3 435.1825399 89502 303662443 652144 a-Alanine, conf. I
559405.0537 0.3356 -5.1876 3 519.7008381 89502 303634716 624616 a-Alanine, conf. I
559405.0537 0.3356 -4.0797 3 519.7008381 89502 303634716 624617 a-Alanine, conf. I
559405.0537 0.3356 -4.0797 3 519.7008381 89502 303634717 624616 a-Alanine, conf. I
559405.0537 0.3356 -5.1876 3 519.7008381 89502 303634717 624617 a-Alanine, conf. I
559415.5195 1.7696 -5.2697 3 1018.6941609 89502 303A13369 A03268 a-Alanine, conf. I
559430.9003 3.2364 -5.0071 3 1168.3910741 89502 303C3 3C0 C2 4B9 a-Alanine, conf. I
559430.9003 3.2364 -5.0071 3 1168.3910741 89502 303C3 4C0 C2 3B9 a-Alanine, conf. I
559460.4643 1.8244 -5.1526 3 1075.9535639 89502 303A62680 A52779 a-Alanine, conf. I
559460.4643 1.8244 -5.1526 3 1075.9535639 89502 303A62780 A52679 a-Alanine, conf. I
559465.6141 2.1808 -4.7284 3 637.6760477 89502 303793148 783049 a-Alanine, conf. I
559486.5013 0.6210 -5.4082 3 626.7748471 89502 303783247 773147 a-Alanine, conf. I
559539.4233 4.5228 -5.4301 3 619.3623477 89502 303792554 782454 a-Alanine, conf. I
559568.7484 1.6803 -5.4225 3 533.7608459 89502 303761660 751560 a-Alanine, conf. I
559568.7484 1.6803 -5.4225 3 533.7608459 89502 303761760 751660 a-Alanine, conf. I
559676.4906 0.6528 -4.6278 3 626.7748471 89502 303783246 773147 a-Alanine, conf. I
559724.4807 4.7433 -5.4475 3 641.9498483 89502 303802853 792753 a-Alanine, conf. I
559816.6312 1.7966 -5.2159 3 1045.3172621 89502 303A33073 A23172 a-Alanine, conf. I
559820.1373 1.7959 -5.2159 3 1045.3171621 89502 303A33173 A23072 a-Alanine, conf. I
559835.1520 4.2977 -5.4296 3 619.3661477 89502 303792654 782554 a-Alanine, conf. I
559874.1902 1.7605 -5.0711 3 1133.8240687 89502 303B41599 B31698 a-Alanine, conf. I
559874.1902 1.7605 -5.0711 3 1133.8240687 89502 303B41699 B31598 a-Alanine, conf. I
559948.3832 10.7901 -5.4333 3 1027.8358609 89502 303A13467 A03566 a-Alanine, conf. I
559973.9230 1.8289 -5.1176 3 1102.1713657 89502 303A92287 A82386 a-Alanine, conf. I
559973.9230 1.8289 -5.1176 3 1102.1713657 89502 303A92387 A82286 a-Alanine, conf. I
559995.8342 2.3173 -5.0305 3 1160.8010723 89502 303C0 7B3 B9 8B2 a-Alanine, conf. I
559995.8342 2.3173 -5.0305 3 1160.8010723 89502 303C0 8B3 B9 7B2 a-Alanine, conf. I
560009.8977 0.4460 -5.1342 3 508.9474345 89502 3035754 3 5653 3 a-Alanine, conf. I
560009.8977 0.4460 -3.9769 3 508.9474345 89502 3035754 3 5653 4 a-Alanine, conf. I
560009.8977 0.4460 -3.9769 3 508.9474345 89502 3035754 4 5653 3 a-Alanine, conf. I
560009.8977 0.4460 -5.1342 3 508.9474345 89502 3035754 4 5653 4 a-Alanine, conf. I
560035.7862 0.3515 -5.1987 3 524.1006387 89502 303644618 634518 a-Alanine, conf. I
560035.7862 0.3515 -4.1005 3 524.1006387 89502 303644618 634519 a-Alanine, conf. I
560035.7862 0.3515 -4.1005 3 524.1006387 89502 303644619 634518 a-Alanine, conf. I
560035.7862 0.3515 -5.1987 3 524.1006387 89502 303644619 634519 a-Alanine, conf. I
560117.7989 1.7029 -5.3233 3 952.1299585 89502 303973463 963462 a-Alanine, conf. I
560122.2750 1.8612 -5.0513 3 1149.2544705 89502 303B711A6 B612A5 a-Alanine, conf. I
560122.2750 1.8612 -5.0513 3 1149.2544705 89502 303B712A6 B611A5 a-Alanine, conf. I
560291.9798 3.5592 -5.0079 3 1174.3088747 89502 303C4 2C2 C3 3C1 a-Alanine, conf. I
560291.9798 3.5592 -5.0079 3 1174.3088747 89502 303C4 3C2 C3 2C1 a-Alanine, conf. I
560395.2878 8.9774 -5.3303 3 954.8587585 89502 303973562 963561 a-Alanine, conf. I
560522.7003 1.3172 -5.1975 3 304.0732351 89502 303581246 571147 a-Alanine, conf. I
560522.7006 1.3172 -5.1975 3 304.0732351 89502 303581346 571047 a-Alanine, conf. I
560603.4754 1.7944 -5.0932 3 1124.3745675 89502 303B21894 B11993 a-Alanine, conf. I
560603.4754 1.7944 -5.0932 3 1124.3745675 89502 303B21994 B11893 a-Alanine, conf. I
560641.3059 2.1658 -5.4262 3 1004.6382603 89502 303A03367 993366 a-Alanine, conf. I
560644.2592 0.3703 -5.2103 3 528.8617393 89502 303654520 644420 a-Alanine, conf. I
560644.2592 0.3703 -4.1224 3 528.8617393 89502 303654520 644421 a-Alanine, conf. I
560644.2592 0.3703 -4.1224 3 528.8617393 89502 303654521 644420 a-Alanine, conf. I
560644.2592 0.3703 -5.2103 3 528.8617393 89502 303654521 644421 a-Alanine, conf. I
560645.2107 1.8176 -5.2006 3 1058.0862627 89502 303A42975 A33074 a-Alanine, conf. I
560645.4039 1.8176 -5.2006 3 1058.0862627 89502 303A43075 A32974 a-Alanine, conf. I
560656.0467 1.8399 -5.1482 3 1087.5515645 89502 303A72582 A62681 a-Alanine, conf. I
560656.0467 1.8399 -5.1482 3 1087.5515645 89502 303A72682 A62581 a-Alanine, conf. I
560716.4246 0.3983 -5.1423 3 511.0694351 89502 3035853 5 5752 5 a-Alanine, conf. I
560716.4246 0.3983 -3.9913 3 511.0694351 89502 3035853 5 5752 6 a-Alanine, conf. I
560716.4246 0.3983 -3.9913 3 511.0694351 89502 3035853 6 5752 5 a-Alanine, conf. I
560716.4246 0.3983 -5.1423 3 511.0694351 89502 3035853 6 5752 6 a-Alanine, conf. I
560983.3236 2.5212 -5.0320 3 1167.7284729 89502 303C1 6B5 C0 7B4 a-Alanine, conf. I
560983.3236 2.5212 -5.0320 3 1167.7284729 89502 303C1 7B5 C0 6B4 a-Alanine, conf. I
561067.0036 1.7753 -5.0729 3 1142.6990693 89502 303B514A1 B415A0 a-Alanine, conf. I
561067.0036 1.7753 -5.0729 3 1142.6990693 89502 303B515A1 B414A0 a-Alanine, conf. I
561117.0401 3.9114 -5.0085 3 1179.9761753 89502 303C5 1C4 C4 2C3 a-Alanine, conf. I
561117.0401 3.9114 -5.0085 3 1179.9761753 89502 303C5 2C4 C4 1C3 a-Alanine, conf. I
561157.7447 3.0183 -4.9848 3 370.8347375 89502 303621844 611745 a-Alanine, conf. I
561191.7876 3.0045 -4.9848 3 370.8347375 89502 303621944 611645 a-Alanine, conf. I
561213.8991 14.8807 -4.9345 3 583.8171459 89502 303762848 752749 a-Alanine, conf. I
561222.2107 1.9479 -5.0532 3 1157.1647711 89502 303B810A8 B711A7 a-Alanine, conf. I
561222.2107 1.9479 -5.0532 3 1157.1647711 89502 303B811A8 B710A7 a-Alanine, conf. I
561225.6122 0.3910 -5.2223 3 533.9878399 89502 303664422 654322 a-Alanine, conf. I
561225.6122 0.3910 -4.1456 3 533.9878399 89502 303664422 654323 a-Alanine, conf. I
561225.6122 0.3910 -4.1456 3 533.9878399 89502 303664423 654322 a-Alanine, conf. I
561225.6122 0.3910 -5.2223 3 533.9878399 89502 303664423 654323 a-Alanine, conf. I
561241.9790 1.8344 -5.1173 3 1112.7475663 89502 303B02189 A92288 a-Alanine, conf. I
561241.9790 1.8344 -5.1173 3 1112.7475663 89502 303B02289 A92188 a-Alanine, conf. I
561248.5218 1.5397 -5.4332 3 528.0811459 89502 303761561 751461 a-Alanine, conf. I
561248.5218 1.5397 -5.4332 3 528.0811459 89502 303761661 751561 a-Alanine, conf. I
561318.6928 0.6950 -5.0336 3 438.1235399 89502 303662542 652243 a-Alanine, conf. I
561353.1466 0.6111 -4.5540 3 616.4854465 89502 303773345 763244 a-Alanine, conf. I
561365.4016 0.6127 -5.3889 3 616.4854465 89502 303773344 763244 a-Alanine, conf. I
561383.9803 11.0106 -5.3081 3 967.5478591 89502 303983465 973364 a-Alanine, conf. I
561398.8797 0.6175 -5.3889 3 616.4839465 89502 303773345 763245 a-Alanine, conf. I
561411.1347 0.6199 -4.5539 3 616.4839465 89502 303773344 763245 a-Alanine, conf. I
561416.0930 0.3630 -5.1508 3 513.5385357 89502 3035952 7 5851 7 a-Alanine, conf. I
561416.0930 0.3630 -4.0065 3 513.5385357 89502 3035952 7 5851 8 a-Alanine, conf. I
561416.0930 0.3630 -4.0065 3 513.5385357 89502 3035952 8 5851 7 a-Alanine, conf. I
561416.0930 0.3630 -5.1508 3 513.5385357 89502 3035952 8 5851 8 a-Alanine, conf. I
561482.3925 2.2821 -5.4143 3 563.1707465 89502 303771958 761858 a-Alanine, conf. I
561482.3949 2.2821 -5.4143 3 563.1707465 89502 303772058 761958 a-Alanine, conf. I
561566.1930 7.6166 -5.3124 3 986.0448597 89502 303993466 983365 a-Alanine, conf. I
561594.7252 11.5090 -5.3751 3 976.6257591 89502 303983662 973661 a-Alanine, conf. I
561595.8122 1.0518 -5.3207 3 285.3404345 89502 303571047 56 948 a-Alanine, conf. I
561595.8122 1.0518 -5.3207 3 285.3404345 89502 303571147 56 848 a-Alanine, conf. I
561627.9832 1.8361 -5.1896 3 1070.5453633 89502 303A52877 A42976 a-Alanine, conf. I
561627.9923 1.8361 -5.1896 3 1070.5453633 89502 303A52977 A42876 a-Alanine, conf. I
561697.6138 3.1247 -5.3343 3 1023.4210609 89502 303A13368 A03467 a-Alanine, conf. I
561773.7572 0.4129 -5.2349 3 539.4829405 89502 303674324 664224 a-Alanine, conf. I
561773.7572 0.4129 -4.1701 3 539.4829405 89502 303674324 664225 a-Alanine, conf. I
561773.7572 0.4129 -4.1701 3 539.4829405 89502 303674325 664224 a-Alanine, conf. I
561773.7572 0.4129 -5.2349 3 539.4829405 89502 303674325 664225 a-Alanine, conf. I
561845.7777 1.7938 -5.0946 3 1133.9793681 89502 303B31796 B21895 a-Alanine, conf. I
561845.7777 1.7938 -5.0946 3 1133.9793681 89502 303B31896 B21795 a-Alanine, conf. I
561865.1616 0.9531 -5.4467 3 652.5801483 89502 303803150 793050 a-Alanine, conf. I
561874.6204 21.4209 -5.1932 3 838.5342549 89502 303913359 903258 a-Alanine, conf. I
561885.9885 1.8535 -5.1454 3 1098.8960651 89502 303A82484 A72583 a-Alanine, conf. I
561885.9885 1.8535 -5.1454 3 1098.8960651 89502 303A82584 A72483 a-Alanine, conf. I
561905.3259 4.2924 -5.0088 3 1185.3903759 89502 303C6 0C6 C5 1C5 a-Alanine, conf. I
561905.3259 4.2924 -5.0088 3 1185.3903759 89502 303C6 1C6 C5 0C5 a-Alanine, conf. I
561937.9822 2.7571 -5.0334 3 1174.4143735 89502 303C2 5B7 C1 6B6 a-Alanine, conf. I
561937.9822 2.7571 -5.0334 3 1174.4143735 89502 303C2 6B7 C1 5B6 a-Alanine, conf. I
561941.3224 3.1149 -5.4173 3 591.7776471 89502 303782256 772156 a-Alanine, conf. I
561942.6494 3.1138 -5.4173 3 591.7776471 89502 303782356 772256 a-Alanine, conf. I
562107.6786 0.3404 -5.1598 3 516.3561363 89502 3036051 9 5950 9 a-Alanine, conf. I
562107.6786 0.3404 -4.0227 3 516.3561363 89502 3036051 9 595010 a-Alanine, conf. I
562107.6786 0.3404 -4.0227 3 516.3561363 89502 303605110 5950 9 a-Alanine, conf. I
562107.6786 0.3404 -5.1598 3 516.3561363 89502 303605110 595010 a-Alanine, conf. I
562228.5918 10.4793 -5.4208 3 998.9860597 89502 303993762 983761 a-Alanine, conf. I
562233.5966 5.3438 -5.2475 3 401.2837381 89502 303632539 622240 a-Alanine, conf. I
562237.2012 1.8026 -5.0749 3 1151.3437699 89502 303B613A3 B514A2 a-Alanine, conf. I
562237.2012 1.8026 -5.0749 3 1151.3437699 89502 303B614A3 B513A2 a-Alanine, conf. I
562281.0026 0.4358 -5.2479 3 545.3518411 89502 303684226 674126 a-Alanine, conf. I
562281.0026 0.4358 -4.1962 3 545.3518411 89502 303684226 674127 a-Alanine, conf. I
562281.0026 0.4358 -4.1962 3 545.3518411 89502 303684227 674126 a-Alanine, conf. I
562281.0026 0.4358 -5.2479 3 545.3518411 89502 303684227 674127 a-Alanine, conf. I
562293.5142 2.0625 -5.0551 3 1164.8403717 89502 303B9 9B0 B810A9 a-Alanine, conf. I
562293.5142 2.0625 -5.0551 3 1164.8403717 89502 303B910B0 B8 9A9 a-Alanine, conf. I
562397.5556 8.0580 -4.8321 3 634.1659477 89502 303793049 782950 a-Alanine, conf. I
562491.8102 2.0080 -5.0691 3 337.2602363 89502 303601545 591446 a-Alanine, conf. I
562491.9606 2.0080 -5.0691 3 337.2602363 89502 303601645 591346 a-Alanine, conf. I
562501.1732 2.4438 -5.4330 3 1009.0728603 89502 303A03566 993565 a-Alanine, conf. I
562509.3278 1.8370 -5.1176 3 1123.0888669 89502 303B12091 B02190 a-Alanine, conf. I
562509.3278 1.8370 -5.1176 3 1123.0888669 89502 303B12191 B02090 a-Alanine, conf. I
562597.3638 0.6175 -4.4939 3 606.7609459 89502 303763443 753342 a-Alanine, conf. I
562597.9846 0.6177 -5.3705 3 606.7609459 89502 303763442 753342 a-Alanine, conf. I
562599.9193 0.6182 -5.3705 3 606.7609459 89502 303763443 753343 a-Alanine, conf. I
562600.5400 0.6184 -4.4939 3 606.7609459 89502 303763442 753343 a-Alanine, conf. I
562653.4035 6.5948 -4.9553 3 431.8380399 89502 303662244 652145 a-Alanine, conf. I
562676.6643 1.0919 -4.6670 3 641.4548477 89502 303793248 783147 a-Alanine, conf. I
562714.1622 1.8535 -5.1817 3 1082.7164639 89502 303A62779 A52878 a-Alanine, conf. I
562714.1625 1.8535 -5.1817 3 1082.7164639 89502 303A62879 A52778 a-Alanine, conf. I
562737.5293 0.4596 -5.2613 3 551.6001417 89502 303694128 684028 a-Alanine, conf. I
562737.5293 0.4596 -4.2240 3 551.6001417 89502 303694128 684029 a-Alanine, conf. I
562737.5293 0.4596 -4.2240 3 551.6001417 89502 303694129 684028 a-Alanine, conf. I
562737.5293 0.4596 -5.2613 3 551.6001417 89502 303694129 684029 a-Alanine, conf. I
562789.6844 0.3298 -5.1693 3 519.5239369 89502 303615011 604911 a-Alanine, conf. I
562789.6844 0.3298 -4.0397 3 519.5239369 89502 303615011 604912 a-Alanine, conf. I
562789.6844 0.3298 -4.0397 3 519.5239369 89502 303615012 604911 a-Alanine, conf. I
562789.6844 0.3298 -5.1693 3 519.5239369 89502 303615012 604912 a-Alanine, conf. I
562830.1479 1.4274 -5.4456 3 522.2431459 89502 303761462 751362 a-Alanine, conf. I
562830.1479 1.4274 -5.4456 3 522.2431459 89502 303761562 751462 a-Alanine, conf. I
562858.8639 3.0245 -5.0346 3 1180.8561741 89502 303C3 4B9 C2 5B8 a-Alanine, conf. I
562858.8639 3.0245 -5.0346 3 1180.8561741 89502 303C3 5B9 C2 4B8 a-Alanine, conf. I
562921.5500 5.4401 -5.4483 3 638.0265483 89502 303802654 792554 a-Alanine, conf. I
562946.1511 15.0622 -5.3052 3 949.1374585 89502 303973464 963363 a-Alanine, conf. I
563014.8309 1.8270 -5.2845 3 1037.3542615 89502 303A23270 A13369 a-Alanine, conf. I
563051.0077 0.8503 -5.4278 3 641.4548477 89502 303793247 783147 a-Alanine, conf. I
563072.0418 1.7957 -5.0963 3 1143.3543687 89502 303B41698 B31797 a-Alanine, conf. I
563072.0418 1.7957 -5.0963 3 1143.3543687 89502 303B41798 B31697 a-Alanine, conf. I
563091.7208 5.1104 -5.3188 3 1004.6382603 89502 303A03467 993366 a-Alanine, conf. I
563130.6369 0.4844 -5.2753 3 558.2345423 89502 303704030 693930 a-Alanine, conf. I
563130.6369 0.4844 -4.2536 3 558.2345423 89502 303704030 693931 a-Alanine, conf. I
563130.6369 0.4844 -4.2536 3 558.2345423 89502 303704031 693930 a-Alanine, conf. I
563130.6369 0.4844 -5.2753 3 558.2345423 89502 303704031 693931 a-Alanine, conf. I
563137.4123 1.8646 -5.1437 3 1109.9938657 89502 303A92386 A82485 a-Alanine, conf. I
563137.4123 1.8646 -5.1437 3 1109.9938657 89502 303A92486 A82385 a-Alanine, conf. I
563168.6782 11.1814 -4.9819 3 475.9571417 89502 303692445 682346 a-Alanine, conf. I
563288.1952 0.6073 -4.4426 3 597.5531453 89502 303753541 743440 a-Alanine, conf. I
563288.2205 0.6073 -5.3531 3 597.5531453 89502 303753540 743440 a-Alanine, conf. I
563288.3085 0.6074 -5.3531 3 597.5531453 89502 303753541 743441 a-Alanine, conf. I
563288.3338 0.6074 -4.4426 3 597.5531453 89502 303753540 743441 a-Alanine, conf. I
563334.9197 2.2074 -5.0569 3 1172.2796723 89502 303C0 8B2 B9 9B1 a-Alanine, conf. I
563334.9197 2.2074 -5.0569 3 1172.2796723 89502 303C0 9B2 B9 8B1 a-Alanine, conf. I
563382.9205 1.8467 -5.0769 3 1159.7571705 89502 303B712A5 B613A4 a-Alanine, conf. I
563382.9205 1.8467 -5.0769 3 1159.7571705 89502 303B713A5 B612A4 a-Alanine, conf. I
563384.7177 1.7741 -5.2839 3 1037.3462615 89502 303A23370 A13269 a-Alanine, conf. I
563388.3106 3.4960 -4.9697 3 385.8290381 89502 303631944 621845 a-Alanine, conf. I
563443.6297 0.5101 -5.2898 3 565.2631429 89502 303713932 703832 a-Alanine, conf. I
563443.6297 0.5101 -4.2853 3 565.2631429 89502 303713932 703833 a-Alanine, conf. I
563443.6297 0.5101 -4.2853 3 565.2631429 89502 303713933 703832 a-Alanine, conf. I
563443.6297 0.5101 -5.2898 3 565.2631429 89502 303713933 703833 a-Alanine, conf. I
563460.2799 0.3297 -5.1793 3 523.0439375 89502 303624913 614813 a-Alanine, conf. I
563460.2799 0.3297 -4.0577 3 523.0439375 89502 303624913 614814 a-Alanine, conf. I
563460.2799 0.3297 -4.0577 3 523.0439375 89502 303624914 614813 a-Alanine, conf. I
563460.2799 0.3297 -5.1793 3 523.0439375 89502 303624914 614814 a-Alanine, conf. I
563469.1096 1.8195 -5.2553 3 1050.8605621 89502 303A33172 A23271 a-Alanine, conf. I
563476.4885 2.1243 -5.3546 3 970.8134591 89502 303983464 973463 a-Alanine, conf. I
563497.1427 1.8134 -5.2553 3 1050.8599621 89502 303A33272 A23171 a-Alanine, conf. I
563523.8342 3.4402 -4.9695 3 385.8289381 89502 303632044 621745 a-Alanine, conf. I
563533.7641 2.0708 -5.4208 3 557.8838465 89502 303771859 761759 a-Alanine, conf. I
563533.7643 2.0708 -5.4208 3 557.8838465 89502 303771959 761859 a-Alanine, conf. I
563560.7894 3.9096 -5.4302 3 615.0605477 89502 303792455 782355 a-Alanine, conf. I
563604.7728 3.8740 -5.4301 3 615.0610477 89502 303792555 782455 a-Alanine, conf. I
563631.0923 0.5874 -4.3974 3 588.8230447 89502 303743639 733538 a-Alanine, conf. I
563631.0931 0.5874 -5.3364 3 588.8230447 89502 303743638 733538 a-Alanine, conf. I
563631.0963 0.5874 -5.3364 3 588.8230447 89502 303743639 733539 a-Alanine, conf. I
563631.0972 0.5874 -4.3974 3 588.8230447 89502 303743638 733539 a-Alanine, conf. I
563654.1093 0.5365 -5.3047 3 572.6954435 89502 303723834 713734 a-Alanine, conf. I
563654.1093 0.5365 -4.3195 3 572.6954435 89502 303723834 713735 a-Alanine, conf. I
563654.1093 0.5365 -4.3195 3 572.6954435 89502 303723835 713734 a-Alanine, conf. I
563654.1093 0.5365 -5.3047 3 572.6954435 89502 303723835 713735 a-Alanine, conf. I
563731.2361 0.5628 -4.3567 3 580.5437441 89502 303733737 723636 a-Alanine, conf. I
563731.2362 0.5628 -5.3203 3 580.5437441 89502 303733736 723636 a-Alanine, conf. I
563731.2363 0.5628 -4.3567 3 580.5437441 89502 303733736 723637 a-Alanine, conf. I
563731.2363 0.5628 -5.3203 3 580.5437441 89502 303733737 723637 a-Alanine, conf. I
563745.0819 3.3230 -5.0358 3 1187.0516747 89502 303C4 3C1 C3 4C0 a-Alanine, conf. I
563745.0819 3.3230 -5.0358 3 1187.0516747 89502 303C4 4C1 C3 3C0 a-Alanine, conf. I
563770.8071 1.8372 -5.1185 3 1133.1972675 89502 303B21993 B12092 a-Alanine, conf. I
563770.8071 1.8372 -5.1185 3 1133.1972675 89502 303B22093 B11992 a-Alanine, conf. I
563869.7143 4.7351 -5.4469 3 638.0402483 89502 303802754 792654 a-Alanine, conf. I
563870.4206 1.8702 -5.1762 3 1094.6151645 89502 303A72681 A62780 a-Alanine, conf. I
563870.4206 1.8702 -5.1762 3 1094.6151645 89502 303A72781 A62680 a-Alanine, conf. I
563871.0296 0.6424 -5.4266 3 641.4149477 89502 303793248 783148 a-Alanine, conf. I
563976.6550 0.5543 -5.1307 3 515.6924339 89502 3035656 0 5555 0 a-Alanine, conf. I
563976.6550 0.5543 -3.9646 3 515.6924339 89502 3035656 0 5555 1 a-Alanine, conf. I
563976.6550 0.5543 -3.9646 3 515.6924339 89502 3035656 1 5555 0 a-Alanine, conf. I
563976.6550 0.5543 -5.1307 3 515.6924339 89502 3035656 1 5555 1 a-Alanine, conf. I
564117.2230 0.3376 -5.1897 3 526.9180381 89502 303634815 624715 a-Alanine, conf. I
564117.2230 0.3376 -4.0767 3 526.9180381 89502 303634815 624716 a-Alanine, conf. I
564117.2230 0.3376 -4.0767 3 526.9180381 89502 303634816 624715 a-Alanine, conf. I
564117.2230 0.3376 -5.1897 3 526.9180381 89502 303634816 624716 a-Alanine, conf. I
564131.7388 1.8436 -5.2357 3 1063.9907627 89502 303A43074 A33173 a-Alanine, conf. I
564133.4988 1.8432 -5.2357 3 1063.9907627 89502 303A43174 A33073 a-Alanine, conf. I
564245.3730 0.7409 -4.6649 3 641.4149477 89502 303793247 783148 a-Alanine, conf. I
564279.5797 1.8030 -5.0982 3 1152.4994693 89502 303B515A0 B41699 a-Alanine, conf. I
564279.5797 1.8030 -5.0982 3 1152.4994693 89502 303B516A0 B41599 a-Alanine, conf. I
564345.2635 2.3840 -5.0587 3 1179.4804729 89502 303C1 7B4 C0 8B3 a-Alanine, conf. I
564345.2635 2.3840 -5.0587 3 1179.4804729 89502 303C1 8B4 C0 7B3 a-Alanine, conf. I
564400.5465 1.8727 -5.1430 3 1120.8500663 89502 303B02288 A92387 a-Alanine, conf. I
564400.5465 1.8727 -5.1430 3 1120.8500663 89502 303B02388 A92287 a-Alanine, conf. I
564440.0693 4.0766 -5.4397 3 1013.2116603 89502 303A03665 993664 a-Alanine, conf. I
564502.4975 1.9120 -5.0790 3 1167.9380711 89502 303B811A7 B712A6 a-Alanine, conf. I
564502.4975 1.9120 -5.0790 3 1167.9380711 89502 303B812A7 B711A6 a-Alanine, conf. I
564595.8014 3.6516 -5.0367 3 1192.9981753 89502 303C5 2C3 C4 3C2 a-Alanine, conf. I
564595.8014 3.6516 -5.0367 3 1192.9981753 89502 303C5 3C3 C4 2C2 a-Alanine, conf. I
564596.4204 2.8183 -5.4206 3 586.9349471 89502 303782157 772057 a-Alanine, conf. I
564596.5571 2.8182 -5.4206 3 586.9349471 89502 303782257 772157 a-Alanine, conf. I
564638.5507 13.6509 -4.9807 3 734.4783513 89502 303853254 843153 a-Alanine, conf. I
564691.1337 0.4881 -5.1381 3 517.3082345 89502 3035755 2 5654 2 a-Alanine, conf. I
564691.1337 0.4881 -3.9777 3 517.3082345 89502 3035755 2 5654 3 a-Alanine, conf. I
564691.1337 0.4881 -3.9777 3 517.3082345 89502 3035755 3 5654 2 a-Alanine, conf. I
564691.1337 0.4881 -5.1381 3 517.3082345 89502 3035755 3 5654 3 a-Alanine, conf. I
564757.7612 0.3514 -5.2007 3 531.1489387 89502 303644717 634617 a-Alanine, conf. I
564757.7612 0.3514 -4.0967 3 531.1489387 89502 303644717 634618 a-Alanine, conf. I
564757.7612 0.3514 -4.0967 3 531.1489387 89502 303644718 634617 a-Alanine, conf. I
564757.7612 0.3514 -5.2007 3 531.1489387 89502 303644718 634618 a-Alanine, conf. I
564813.4180 4.1174 -4.9590 3 400.9995387 89502 303642044 631945 a-Alanine, conf. I
564928.6300 5.0426 -4.9537 3 416.3385393 89502 303652144 642045 a-Alanine, conf. I
565000.7709 1.8641 -5.2219 3 1076.7873633 89502 303A52976 A43075 a-Alanine, conf. I
565000.8646 1.8641 -5.2219 3 1076.7873633 89502 303A53076 A42975 a-Alanine, conf. I
565022.1612 1.8362 -5.1198 3 1143.0742681 89502 303B31895 B21994 a-Alanine, conf. I
565022.1612 1.8362 -5.1198 3 1143.0742681 89502 303B31995 B21894 a-Alanine, conf. I
565072.3834 1.5287 -5.1530 3 318.4114357 89502 303591346 581247 a-Alanine, conf. I
565072.3853 1.5287 -5.1530 3 318.4114357 89502 303591446 581147 a-Alanine, conf. I
565074.0076 1.8855 -5.1726 3 1106.2530651 89502 303A82583 A72682 a-Alanine, conf. I
565074.0076 1.8855 -5.1726 3 1106.2530651 89502 303A82683 A72582 a-Alanine, conf. I
565311.2347 3.9125 -4.9584 3 400.9989387 89502 303642144 631845 a-Alanine, conf. I
565323.4699 2.5930 -5.0604 3 1186.4408735 89502 303C2 6B6 C1 7B5 a-Alanine, conf. I
565323.4699 2.5930 -5.0604 3 1186.4408735 89502 303C2 7B6 C1 6B5 a-Alanine, conf. I
565378.5040 0.3690 -5.2120 3 535.7393393 89502 303654619 644519 a-Alanine, conf. I
565378.5040 0.3690 -4.1179 3 535.7393393 89502 303654619 644520 a-Alanine, conf. I
565378.5040 0.3690 -4.1179 3 535.7393393 89502 303654620 644519 a-Alanine, conf. I
565378.5040 0.3690 -5.2120 3 535.7393393 89502 303654620 644520 a-Alanine, conf. I
565400.1608 0.4333 -5.1459 3 519.2690351 89502 3035854 4 5753 4 a-Alanine, conf. I
565400.1608 0.4333 -3.9917 3 519.2690351 89502 3035854 4 5753 5 a-Alanine, conf. I
565400.1608 0.4333 -3.9917 3 519.2690351 89502 3035854 5 5753 4 a-Alanine, conf. I
565400.1608 0.4333 -5.1459 3 519.2690351 89502 3035854 5 5753 5 a-Alanine, conf. I
565410.2334 4.0097 -5.0374 3 1198.6929759 89502 303C6 1C5 C5 2C4 a-Alanine, conf. I
565410.2334 4.0097 -5.0374 3 1198.6929759 89502 303C6 2C5 C5 1C4 a-Alanine, conf. I
565436.3085 1.8821 -5.4284 3 552.4260465 89502 303771760 761660 a-Alanine, conf. I
565436.3085 1.8821 -5.4284 3 552.4260465 89502 303771860 761760 a-Alanine, conf. I
565466.0559 1.8193 -5.1003 3 1161.4142699 89502 303B614A2 B515A1 a-Alanine, conf. I
565466.0559 1.8193 -5.1003 3 1161.4142699 89502 303B615A2 B514A1 a-Alanine, conf. I
565567.2508 3.4578 -5.3275 3 1023.3392609 89502 303A13468 A03367 a-Alanine, conf. I
565594.4328 2.0024 -5.0812 3 1175.8850717 89502 303B910A9 B811A8 a-Alanine, conf. I
565594.4328 2.0024 -5.0812 3 1175.8850717 89502 303B911A9 B810A8 a-Alanine, conf. I
565667.7746 1.8777 -5.1431 3 1131.4685669 89502 303B12190 B02289 a-Alanine, conf. I
565667.7746 1.8777 -5.1431 3 1131.4685669 89502 303B12290 B02189 a-Alanine, conf. I
565814.2446 3.7365 -4.7777 3 652.5801483 89502 303803149 793050 a-Alanine, conf. I
565900.6617 0.6270 -4.5859 3 630.8609471 89502 303783346 773245 a-Alanine, conf. I
565926.6792 0.6280 -5.4068 3 630.8609471 89502 303783345 773245 a-Alanine, conf. I
565975.2553 0.3891 -5.2239 3 540.6923399 89502 303664521 654421 a-Alanine, conf. I
565975.2553 0.3891 -4.1404 3 540.6923399 89502 303664521 654422 a-Alanine, conf. I
565975.2553 0.3891 -4.1404 3 540.6923399 89502 303664522 654421 a-Alanine, conf. I
565975.2553 0.3891 -5.2239 3 540.6923399 89502 303664522 654422 a-Alanine, conf. I
565994.9143 0.6339 -5.4067 3 630.8578471 89502 303783346 773246 a-Alanine, conf. I
566010.0042 1.8825 -5.2120 3 1089.2792639 89502 303A62878 A52977 a-Alanine, conf. I
566010.0085 1.8825 -5.2120 3 1089.2792639 89502 303A62978 A52877 a-Alanine, conf. I
566020.9319 0.6380 -4.5857 3 630.8578471 89502 303783345 773246 a-Alanine, conf. I
566021.0745 1.7349 -4.7081 3 656.3377483 89502 303803249 793148 a-Alanine, conf. I
566102.8501 0.3906 -5.1542 3 521.5761357 89502 3035953 6 5852 6 a-Alanine, conf. I
566102.8501 0.3906 -4.0064 3 521.5761357 89502 3035953 6 5852 7 a-Alanine, conf. I
566102.8501 0.3906 -4.0064 3 521.5761357 89502 3035953 7 5852 6 a-Alanine, conf. I
566102.8501 0.3906 -5.1542 3 521.5761357 89502 3035953 7 5852 7 a-Alanine, conf. I
566163.5895 3.2686 -5.3873 3 989.6090597 89502 303993465 983464 a-Alanine, conf. I
566187.6301 4.3967 -5.0380 3 1204.1334765 89502 303C7 0C7 C6 1C6 a-Alanine, conf. I
566187.6301 4.3967 -5.0380 3 1204.1334765 89502 303C7 1C7 C6 0C6 a-Alanine, conf. I
566202.4193 2.3169 -5.0411 3 351.9482369 89502 303611645 601546 a-Alanine, conf. I
566203.1926 2.3166 -5.0411 3 351.9482369 89502 303611745 601446 a-Alanine, conf. I
566259.8254 1.8357 -5.1215 3 1152.7205687 89502 303B41797 B31896 a-Alanine, conf. I
566259.8254 1.8357 -5.1215 3 1152.7205687 89502 303B41897 B31796 a-Alanine, conf. I
566268.5386 2.8341 -5.0620 3 1193.1585741 89502 303C3 5B8 C2 6B7 a-Alanine, conf. I
566268.5386 2.8341 -5.0620 3 1193.1585741 89502 303C3 6B8 C2 5B7 a-Alanine, conf. I
566308.6719 1.8988 -5.1703 3 1117.6385657 89502 303A92485 A82584 a-Alanine, conf. I
566308.6719 1.8988 -5.1703 3 1117.6385657 89502 303A92585 A82484 a-Alanine, conf. I
566450.8597 2.4243 -5.3420 3 1042.2045615 89502 303A23369 A13468 a-Alanine, conf. I
566512.1334 19.1626 -5.3013 3 930.8098579 89502 303963463 953362 a-Alanine, conf. I
566542.7924 0.4107 -5.2362 3 546.0118405 89502 303674423 664323 a-Alanine, conf. I
566542.7924 0.4107 -4.1641 3 546.0118405 89502 303674423 664324 a-Alanine, conf. I
566542.7924 0.4107 -4.1641 3 546.0118405 89502 303674424 664323 a-Alanine, conf. I
566542.7924 0.4107 -5.2362 3 546.0118405 89502 303674424 664324 a-Alanine, conf. I
566557.1376 1.1828 -5.2609 3 299.5131351 89502 303581147 571048 a-Alanine, conf. I
566557.1376 1.1828 -5.2609 3 299.5131351 89502 303581247 57 948 a-Alanine, conf. I
566603.1554 4.3640 -4.9518 3 416.3363393 89502 303652244 641945 a-Alanine, conf. I
566629.4191 1.8486 -5.1025 3 1170.0979705 89502 303B713A4 B614A3 a-Alanine, conf. I
566629.4191 1.8486 -5.1025 3 1170.0979705 89502 303B714A4 B613A3 a-Alanine, conf. I
566634.8599 1.6251 -5.0016 3 450.6061405 89502 303672543 662244 a-Alanine, conf. I
566657.3644 2.1212 -5.0833 3 1183.5964723 89502 303C0 9B1 B910B0 a-Alanine, conf. I
566657.3644 2.1212 -5.0833 3 1183.5964723 89502 303C010B1 B9 9B0 a-Alanine, conf. I
566798.1190 0.3607 -5.1630 3 524.2309363 89502 3036052 8 5951 8 a-Alanine, conf. I
566798.1190 0.3607 -4.0220 3 524.2309363 89502 3036052 8 5951 9 a-Alanine, conf. I
566798.1190 0.3607 -4.0220 3 524.2309363 89502 3036052 9 5951 8 a-Alanine, conf. I
566798.1190 0.3607 -5.1630 3 524.2309363 89502 3036052 9 5951 9 a-Alanine, conf. I
566884.9355 3.4915 -5.4316 3 610.5219477 89502 303792356 782256 a-Alanine, conf. I
566889.9101 13.7310 -4.9166 3 616.0317471 89502 303782949 772850 a-Alanine, conf. I
566890.5740 3.4868 -5.4316 3 610.5220477 89502 303792456 782356 a-Alanine, conf. I
566933.0227 1.8798 -5.1439 3 1141.8521675 89502 303B22092 B12191 a-Alanine, conf. I
566933.0227 1.8798 -5.1439 3 1141.8521675 89502 303B22192 B12091 a-Alanine, conf. I
566993.9670 2.5557 -5.4249 3 581.8997471 89502 303782058 771958 a-Alanine, conf. I
566993.9796 2.5557 -5.4249 3 581.8997471 89502 303782158 772058 a-Alanine, conf. I
567030.4429 7.3248 -5.4250 3 1046.7480615 89502 303A23468 A13567 a-Alanine, conf. I
567066.2045 6.7627 -5.3525 3 973.5515591 89502 303983563 973562 a-Alanine, conf. I
567074.5670 0.4334 -5.2490 3 551.7019411 89502 303684325 674225 a-Alanine, conf. I
567074.5670 0.4334 -4.1892 3 551.7019411 89502 303684325 674226 a-Alanine, conf. I
567074.5670 0.4334 -4.1892 3 551.7019411 89502 303684326 674225 a-Alanine, conf. I
567074.5670 0.4334 -5.2490 3 551.7019411 89502 303684326 674226 a-Alanine, conf. I
567113.5887 1.9000 -5.2051 3 1101.4865645 89502 303A72780 A62879 a-Alanine, conf. I
567113.5889 1.9000 -5.2051 3 1101.4865645 89502 303A72880 A62779 a-Alanine, conf. I
567179.5354 3.1071 -5.0635 3 1199.6311747 89502 303C4 4C0 C3 5B9 a-Alanine, conf. I
567179.5354 3.1071 -5.0635 3 1199.6311747 89502 303C4 5C0 C3 4B9 a-Alanine, conf. I
567212.6715 1.7170 -5.4375 3 546.8023465 89502 303771661 761561 a-Alanine, conf. I
567212.6715 1.7170 -5.4375 3 546.8023465 89502 303771761 761661 a-Alanine, conf. I
567217.7664 1.0220 -5.4021 3 280.5927345 89502 30357 948 56 849 a-Alanine, conf. I
567217.7664 1.0220 -5.4021 3 280.5927345 89502 303571048 56 749 a-Alanine, conf. I
567258.1293 1.8538 -5.2998 3 1056.1387621 89502 303A33271 A23370 a-Alanine, conf. I
567386.0332 0.6348 -4.5226 3 620.8852465 89502 303773444 763343 a-Alanine, conf. I
567387.4426 0.6352 -5.3878 3 620.8852465 89502 303773443 763343 a-Alanine, conf. I
567391.6874 0.6362 -5.3878 3 620.8850465 89502 303773444 763344 a-Alanine, conf. I
567393.0968 0.6366 -4.5226 3 620.8850465 89502 303773443 763344 a-Alanine, conf. I
567452.6947 6.0739 -5.3352 3 389.2465375 89502 303622538 612239 a-Alanine, conf. I
567458.5426 1.8177 -5.2995 3 1056.1343621 89502 303A33371 A23270 a-Alanine, conf. I
567480.7699 1.8381 -5.1235 3 1162.1364693 89502 303B51699 B41798 a-Alanine, conf. I
567480.7699 1.8381 -5.1235 3 1162.1364693 89502 303B51799 B41698 a-Alanine, conf. I
567484.6465 0.3435 -5.1723 3 527.2348369 89502 303615110 605010 a-Alanine, conf. I
567484.6465 0.3435 -4.0385 3 527.2348369 89502 303615110 605011 a-Alanine, conf. I
567484.6465 0.3435 -4.0385 3 527.2348369 89502 303615111 605010 a-Alanine, conf. I
567484.6465 0.3435 -5.1723 3 527.2348369 89502 303615111 605011 a-Alanine, conf. I
567562.2936 0.4570 -5.2623 3 557.7678417 89502 303694227 684127 a-Alanine, conf. I
567562.2936 0.4570 -4.2159 3 557.7678417 89502 303694227 684128 a-Alanine, conf. I
567562.2936 0.4570 -4.2159 3 557.7678417 89502 303694228 684127 a-Alanine, conf. I
567562.2936 0.4570 -5.2623 3 557.7678417 89502 303694228 684128 a-Alanine, conf. I
567562.3643 1.9095 -5.1692 3 1128.7780663 89502 303B02387 A92486 a-Alanine, conf. I
567562.3643 1.9095 -5.1692 3 1128.7780663 89502 303B02487 A92386 a-Alanine, conf. I
567690.0473 2.2707 -5.0854 3 1191.0704729 89502 303C1 8B3 C0 9B2 a-Alanine, conf. I
567690.0473 2.2707 -5.0854 3 1191.0704729 89502 303C1 9B3 C0 8B2 a-Alanine, conf. I
567730.5578 4.6327 -4.9508 3 431.8296399 89502 303662344 652045 a-Alanine, conf. I
567740.3423 1.8674 -5.2739 3 1069.6561627 89502 303A43173 A33272 a-Alanine, conf. I
567754.8542 1.8641 -5.2738 3 1069.6558627 89502 303A43273 A33172 a-Alanine, conf. I
567767.8491 1.8954 -5.1048 3 1178.5495711 89502 303B812A6 B713A5 a-Alanine, conf. I
567767.8491 1.8954 -5.1048 3 1178.5495711 89502 303B813A6 B712A5 a-Alanine, conf. I
567995.3707 0.4816 -5.2761 3 564.2153423 89502 303704129 694029 a-Alanine, conf. I
567995.3707 0.4816 -4.2442 3 564.2153423 89502 303704129 694030 a-Alanine, conf. I
567995.3707 0.4816 -4.2442 3 564.2153423 89502 303704130 694029 a-Alanine, conf. I
567995.3707 0.4816 -5.2761 3 564.2153423 89502 303704130 694030 a-Alanine, conf. I
568055.5839 3.4111 -5.0648 3 1205.8561753 89502 303C5 3C2 C4 4C1 a-Alanine, conf. I
568055.5839 3.4111 -5.0648 3 1205.8561753 89502 303C5 4C2 C4 3C1 a-Alanine, conf. I
568160.8208 0.3378 -5.1821 3 530.5897375 89502 303625012 614912 a-Alanine, conf. I
568160.8208 0.3378 -4.0559 3 530.5897375 89502 303625012 614913 a-Alanine, conf. I
568160.8208 0.3378 -4.0559 3 530.5897375 89502 303625013 614912 a-Alanine, conf. I
568160.8208 0.3378 -5.1821 3 530.5897375 89502 303625013 614913 a-Alanine, conf. I
568191.3498 1.8797 -5.1452 3 1152.0026681 89502 303B31994 B22093 a-Alanine, conf. I
568191.3498 1.8797 -5.1452 3 1152.0026681 89502 303B32094 B21993 a-Alanine, conf. I
568215.8915 0.6289 -4.4692 3 611.4414459 89502 303763542 753441 a-Alanine, conf. I
568215.9527 0.6289 -5.3699 3 611.4414459 89502 303763541 753441 a-Alanine, conf. I
568216.1595 0.6290 -5.3699 3 611.4414459 89502 303763542 753442 a-Alanine, conf. I
568216.2206 0.6290 -4.4692 3 611.4414459 89502 303763541 753442 a-Alanine, conf. I
568281.2333 1.9166 -5.2004 3 1113.4238651 89502 303A82682 A72781 a-Alanine, conf. I
568281.2333 1.9166 -5.2004 3 1113.4238651 89502 303A82782 A72681 a-Alanine, conf. I
568360.0444 0.5072 -5.2904 3 571.0516429 89502 303714031 703931 a-Alanine, conf. I
568360.0444 0.5072 -4.2746 3 571.0516429 89502 303714031 703932 a-Alanine, conf. I
568360.0444 0.5072 -4.2746 3 571.0516429 89502 303714032 703931 a-Alanine, conf. I
568360.0444 0.5072 -5.2904 3 571.0516429 89502 303714032 703932 a-Alanine, conf. I
568456.4416 1.8912 -5.2562 3 1082.8082633 89502 303A53075 A43174 a-Alanine, conf. I
568457.3188 1.8910 -5.2562 3 1082.8081633 89502 303A53175 A43074 a-Alanine, conf. I
568472.6453 10.2750 -4.9188 3 718.3203507 89502 303843253 833152 a-Alanine, conf. I
568613.9518 3.6378 -5.4201 3 1008.4941603 89502 303A03466 993465 a-Alanine, conf. I
568638.1601 0.5336 -5.3052 3 578.2850435 89502 303723933 713833 a-Alanine, conf. I
568638.1601 0.5336 -4.3071 3 578.2850435 89502 303723933 713834 a-Alanine, conf. I
568638.1601 0.5336 -4.3071 3 578.2850435 89502 303723934 713833 a-Alanine, conf. I
568638.1601 0.5336 -5.3052 3 578.2850435 89502 303723934 713834 a-Alanine, conf. I
568643.5652 2.8515 -4.7531 3 671.4537489 89502 303813250 803149 a-Alanine, conf. I
568655.4787 0.6110 -4.4223 3 602.4852453 89502 303753640 743539 a-Alanine, conf. I
568655.4809 0.6110 -5.3528 3 602.4852453 89502 303753639 743539 a-Alanine, conf. I
568655.4889 0.6110 -5.3528 3 602.4852453 89502 303753640 743540 a-Alanine, conf. I
568655.4911 0.6110 -4.4223 3 602.4852453 89502 303753639 743540 a-Alanine, conf. I
568678.3930 2.5119 -5.3382 3 1042.1572615 89502 303A23469 A13368 a-Alanine, conf. I
568680.1966 13.4183 -4.9987 3 505.2554429 89502 303712546 702447 a-Alanine, conf. I
568682.3861 1.8464 -5.1257 3 1171.3217699 89502 303B615A1 B516A0 a-Alanine, conf. I
568682.3861 1.8464 -5.1257 3 1171.3217699 89502 303B616A1 B515A0 a-Alanine, conf. I
568691.3354 2.4521 -5.0874 3 1198.3050735 89502 303C2 7B5 C1 8B4 a-Alanine, conf. I
568691.3354 2.4521 -5.0874 3 1198.3050735 89502 303C2 8B5 C1 7B4 a-Alanine, conf. I
568805.2284 0.5606 -5.3205 3 585.9259441 89502 303733835 723735 a-Alanine, conf. I
568805.2284 0.5606 -4.3422 3 585.9259441 89502 303733835 723736 a-Alanine, conf. I
568805.2284 0.5606 -4.3422 3 585.9259441 89502 303733836 723735 a-Alanine, conf. I
568805.2284 0.5606 -5.3205 3 585.9259441 89502 303733836 723736 a-Alanine, conf. I
568824.6734 0.3416 -5.1923 3 534.2976381 89502 303634914 624814 a-Alanine, conf. I
568824.6734 0.3416 -4.0743 3 534.2976381 89502 303634914 624815 a-Alanine, conf. I
568824.6734 0.3416 -4.0743 3 534.2976381 89502 303634915 624814 a-Alanine, conf. I
568824.6734 0.3416 -5.1923 3 534.2976381 89502 303634915 624815 a-Alanine, conf. I
568825.8737 1.9172 -5.1690 3 1139.6764669 89502 303B12289 B02388 a-Alanine, conf. I
568825.8737 1.9172 -5.1690 3 1139.6764669 89502 303B12389 B02288 a-Alanine, conf. I
568827.2849 0.5870 -5.3363 3 593.9872447 89502 303743737 733637 a-Alanine, conf. I
568827.2849 0.5870 -4.3804 3 593.9872447 89502 303743738 733637 a-Alanine, conf. I
568827.2852 0.5870 -5.3363 3 593.9872447 89502 303743738 733638 a-Alanine, conf. I
568827.2853 0.5870 -4.3804 3 593.9872447 89502 303743737 733638 a-Alanine, conf. I
568879.7166 1.9639 -5.1072 3 1186.7678717 89502 303B911A8 B812A7 a-Alanine, conf. I
568879.7166 1.9639 -5.1072 3 1186.7678717 89502 303B912A8 B811A7 a-Alanine, conf. I
568895.8583 3.7455 -5.0659 3 1211.8310759 89502 303C6 2C4 C5 3C3 a-Alanine, conf. I
568895.8583 3.7455 -5.0659 3 1211.8310759 89502 303C6 3C4 C5 2C3 a-Alanine, conf. I
568946.3032 0.9785 -4.7043 3 656.2642483 89502 303803248 793149 a-Alanine, conf. I
569186.0101 2.3201 -5.4301 3 576.6813471 89502 303781959 771859 a-Alanine, conf. I
569186.0111 2.3201 -5.4301 3 576.6813471 89502 303782059 771959 a-Alanine, conf. I
569359.0015 21.0947 -5.1604 3 821.1251543 89502 303903358 893257 a-Alanine, conf. I
569362.1040 1.9113 -5.2438 3 1095.6337639 89502 303A62977 A53076 a-Alanine, conf. I
569362.1492 1.9113 -5.2438 3 1095.6337639 89502 303A63077 A52976 a-Alanine, conf. I
569371.0169 0.5345 -5.1424 3 525.8273345 89502 3035756 1 5655 1 a-Alanine, conf. I
569371.0169 0.5345 -3.9791 3 525.8273345 89502 3035756 1 5655 2 a-Alanine, conf. I
569371.0169 0.5345 -3.9791 3 525.8273345 89502 3035756 2 5655 1 a-Alanine, conf. I
569371.0169 0.5345 -5.1424 3 525.8273345 89502 3035756 2 5655 2 a-Alanine, conf. I
569396.8052 1.7737 -5.1149 3 332.9552363 89502 303601446 591347 a-Alanine, conf. I
569396.8168 1.7737 -5.1149 3 332.9552363 89502 303601546 591247 a-Alanine, conf. I
569438.6654 1.8786 -5.1468 3 1161.9213687 89502 303B41896 B31995 a-Alanine, conf. I
569438.6654 1.8786 -5.1468 3 1161.9213687 89502 303B41996 B31895 a-Alanine, conf. I
569473.7960 0.3525 -5.2030 3 538.3606387 89502 303644816 634716 a-Alanine, conf. I
569473.7960 0.3525 -4.0937 3 538.3606387 89502 303644816 634717 a-Alanine, conf. I
569473.7960 0.3525 -4.0937 3 538.3606387 89502 303644817 634716 a-Alanine, conf. I
569473.7960 0.3525 -5.2030 3 538.3606387 89502 303644817 634717 a-Alanine, conf. I
569492.0039 1.9317 -5.1974 3 1125.1018657 89502 303A92584 A82683 a-Alanine, conf. I
569492.0039 1.9317 -5.1974 3 1125.1018657 89502 303A92684 A82583 a-Alanine, conf. I
569567.6591 2.6644 -5.0176 3 366.8302375 89502 303621745 611646 a-Alanine, conf. I
569571.3505 2.6629 -5.0176 3 366.8302375 89502 303621845 611546 a-Alanine, conf. I
569621.0670 4.3809 -4.9591 3 447.4606405 89502 303672444 662145 a-Alanine, conf. I
569660.1678 2.6662 -5.0893 3 1205.2980741 89502 303C3 6B7 C2 7B6 a-Alanine, conf. I
569660.1678 2.6662 -5.0893 3 1205.2980741 89502 303C3 7B7 C2 6B6 a-Alanine, conf. I
569695.1129 11.2973 -5.3944 3 995.3585597 89502 303993663 983662 a-Alanine, conf. I
569699.5780 4.1096 -5.0668 3 1217.5530765 89502 303C7 1C6 C6 2C5 a-Alanine, conf. I
569699.5780 4.1096 -5.0668 3 1217.5530765 89502 303C7 2C6 C6 1C5 a-Alanine, conf. I
569782.5430 3.1521 -5.4339 3 605.7678477 89502 303792257 782157 a-Alanine, conf. I
569783.1770 3.1516 -5.4339 3 605.7678477 89502 303792357 782257 a-Alanine, conf. I
569862.4013 1.8642 -5.1281 3 1180.2761705 89502 303B714A3 B615A2 a-Alanine, conf. I
569862.4013 1.8642 -5.1281 3 1180.2761705 89502 303B715A3 B614A2 a-Alanine, conf. I
569963.5503 2.0581 -5.1096 3 1194.7512723 89502 303C010B0 B911A9 a-Alanine, conf. I
569963.5503 2.0581 -5.1096 3 1194.7512723 89502 303C011B0 B910A9 a-Alanine, conf. I
570082.3337 0.4727 -5.1500 3 527.6274351 89502 3035855 3 5754 3 a-Alanine, conf. I
570082.3337 0.4727 -3.9926 3 527.6274351 89502 3035855 3 5754 4 a-Alanine, conf. I
570082.3337 0.4727 -3.9926 3 527.6274351 89502 3035855 4 5754 3 a-Alanine, conf. I
570082.3337 0.4727 -5.1500 3 527.6274351 89502 3035855 4 5754 4 a-Alanine, conf. I
570091.9756 1.9216 -5.1695 3 1150.3372675 89502 303B22191 B12290 a-Alanine, conf. I
570091.9756 1.9216 -5.1695 3 1150.3372675 89502 303B22291 B12190 a-Alanine, conf. I
570105.2340 0.3684 -5.2142 3 542.7813393 89502 303654718 644618 a-Alanine, conf. I
570105.2340 0.3684 -4.1142 3 542.7813393 89502 303654718 644619 a-Alanine, conf. I
570105.2340 0.3684 -4.1142 3 542.7813393 89502 303654719 644618 a-Alanine, conf. I
570105.2340 0.3684 -5.2142 3 542.7813393 89502 303654719 644619 a-Alanine, conf. I
570196.9218 11.8794 -5.4413 3 1017.7399603 89502 303A03763 993762 a-Alanine, conf. I
570199.0757 4.6108 -4.8030 3 686.8143495 89502 303823251 813150 a-Alanine, conf. I
570270.2054 7.1199 -4.8585 3 702.4329501 89502 303833252 823151 a-Alanine, conf. I
570331.0995 0.6563 -4.6193 3 645.4436477 89502 303793347 783246 a-Alanine, conf. I
570385.1949 0.6504 -5.4253 3 645.4436477 89502 303793346 783246 a-Alanine, conf. I
570395.3305 1.9296 -5.2351 3 1108.1592645 89502 303A72879 A62978 a-Alanine, conf. I
570395.3326 1.9296 -5.2351 3 1108.1592645 89502 303A72979 A62878 a-Alanine, conf. I
570466.0025 4.5027 -5.0675 3 1223.0194771 89502 303C8 0C8 C7 1C7 a-Alanine, conf. I
570466.0025 4.5027 -5.0675 3 1223.0194771 89502 303C8 1C8 C7 0C7 a-Alanine, conf. I
570521.0888 0.6516 -5.4250 3 645.4372477 89502 303793347 783247 a-Alanine, conf. I
570575.1842 0.6586 -4.6190 3 645.4372477 89502 303793346 783247 a-Alanine, conf. I
570595.5576 2.9126 -5.0911 3 1212.0472747 89502 303C4 5B9 C3 6B8 a-Alanine, conf. I
570595.5576 2.9126 -5.0911 3 1212.0472747 89502 303C4 6B9 C3 5B8 a-Alanine, conf. I
570671.5299 1.8783 -5.1489 3 1171.6089693 89502 303B51798 B41897 a-Alanine, conf. I
570671.5299 1.8783 -5.1489 3 1171.6089693 89502 303B51898 B41797 a-Alanine, conf. I
570715.3481 0.3875 -5.2258 3 547.5628399 89502 303664620 654520 a-Alanine, conf. I
570715.3481 0.3875 -4.1359 3 547.5628399 89502 303664620 654521 a-Alanine, conf. I
570715.3481 0.3875 -4.1359 3 547.5628399 89502 303664621 654520 a-Alanine, conf. I
570715.3481 0.3875 -5.2258 3 547.5628399 89502 303664621 654521 a-Alanine, conf. I
570730.7915 1.9447 -5.1957 3 1136.5285663 89502 303B02486 A92585 a-Alanine, conf. I
570730.7915 1.9447 -5.1957 3 1136.5285663 89502 303B02586 A92485 a-Alanine, conf. I
570787.7621 0.4227 -5.1581 3 529.7729357 89502 3035954 5 5853 5 a-Alanine, conf. I
570787.7621 0.4227 -4.0068 3 529.7729357 89502 3035954 5 5853 6 a-Alanine, conf. I
570787.7621 0.4227 -4.0068 3 529.7729357 89502 3035954 6 5853 5 a-Alanine, conf. I
570787.7621 0.4227 -5.1581 3 529.7729357 89502 3035954 6 5853 6 a-Alanine, conf. I
570938.9685 2.1148 -5.3529 3 1061.1262621 89502 303A33370 A23469 a-Alanine, conf. I
571018.0125 2.1812 -5.1119 3 1202.4981729 89502 303C1 9B2 C010B1 a-Alanine, conf. I
571018.0125 2.1812 -5.1119 3 1202.4981729 89502 303C110B2 C0 9B1 a-Alanine, conf. I
571018.8142 1.8956 -5.1306 3 1188.9986711 89502 303B813A5 B714A4 a-Alanine, conf. I
571018.8142 1.8956 -5.1306 3 1188.9986711 89502 303B814A5 B713A4 a-Alanine, conf. I
571209.3256 2.1082 -5.4365 3 571.2869471 89502 303781860 771760 a-Alanine, conf. I
571209.3257 2.1082 -5.4365 3 571.2869471 89502 303781960 771860 a-Alanine, conf. I
571299.6346 0.4086 -5.2380 3 552.7082405 89502 303674522 664422 a-Alanine, conf. I
571299.6346 0.4086 -4.1588 3 552.7082405 89502 303674522 664423 a-Alanine, conf. I
571299.6346 0.4086 -4.1588 3 552.7082405 89502 303674523 664422 a-Alanine, conf. I
571299.6346 0.4086 -5.2380 3 552.7082405 89502 303674523 664423 a-Alanine, conf. I
571338.7641 1.3567 -5.2097 3 313.8974357 89502 303591247 581148 a-Alanine, conf. I
571338.7642 1.3567 -5.2097 3 313.8974357 89502 303591347 581048 a-Alanine, conf. I
571354.8777 1.9233 -5.1706 3 1160.7629681 89502 303B32093 B22192 a-Alanine, conf. I
571354.8777 1.9233 -5.1706 3 1160.7629681 89502 303B32193 B22092 a-Alanine, conf. I
571486.3432 0.3854 -5.1666 3 532.2653363 89502 3036053 7 5952 7 a-Alanine, conf. I
571486.3432 0.3854 -4.0219 3 532.2653363 89502 3036053 7 5952 8 a-Alanine, conf. I
571486.3432 0.3854 -4.0219 3 532.2653363 89502 3036053 8 5952 7 a-Alanine, conf. I
571486.3432 0.3854 -5.1666 3 532.2653363 89502 3036053 8 5952 8 a-Alanine, conf. I
571493.6329 1.8941 -5.3165 3 1075.0627627 89502 303A43272 A33371 a-Alanine, conf. I
571496.5820 3.1911 -5.0927 3 1218.5502753 89502 303C5 4C1 C4 5C0 a-Alanine, conf. I
571496.5820 3.1911 -5.0927 3 1218.5502753 89502 303C5 5C1 C4 4C0 a-Alanine, conf. I
571514.7331 1.9471 -5.2291 3 1120.4034651 89502 303A82781 A72880 a-Alanine, conf. I
571514.7332 1.9471 -5.2291 3 1120.4034651 89502 303A82881 A72780 a-Alanine, conf. I
571601.0626 1.8718 -5.3163 3 1075.0604627 89502 303A43372 A33271 a-Alanine, conf. I
571852.4834 0.4311 -5.2506 3 558.2216411 89502 303684424 674324 a-Alanine, conf. I
571852.4834 0.4311 -4.1830 3 558.2216411 89502 303684424 674325 a-Alanine, conf. I
571852.4834 0.4311 -4.1830 3 558.2216411 89502 303684425 674324 a-Alanine, conf. I
571852.4834 0.4311 -5.2506 3 558.2216411 89502 303684425 674325 a-Alanine, conf. I
571887.0099 1.8812 -5.1512 3 1181.0655699 89502 303B616A0 B51799 a-Alanine, conf. I
571887.0099 1.8812 -5.1512 3 1181.0655699 89502 303B617A0 B51699 a-Alanine, conf. I
571986.2989 1.9550 -5.1951 3 1147.7099669 89502 303B12388 B02487 a-Alanine, conf. I
571986.2989 1.9550 -5.1951 3 1147.7099669 89502 303B12488 B02387 a-Alanine, conf. I
572023.9152 1.9162 -5.2934 3 1088.5941633 89502 303A53174 A43273 a-Alanine, conf. I
572023.9869 22.4493 -5.2923 3 912.5733573 89502 303953462 943361 a-Alanine, conf. I
572031.3659 1.9145 -5.2933 3 1088.5939633 89502 303A53274 A43173 a-Alanine, conf. I
572041.8778 2.3352 -5.1142 3 1210.0065735 89502 303C2 8B4 C1 9B3 a-Alanine, conf. I
572041.8778 2.3352 -5.1142 3 1210.0065735 89502 303C2 9B4 C1 8B3 a-Alanine, conf. I
572118.0921 0.6507 -4.5524 3 635.2106471 89502 303783445 773344 a-Alanine, conf. I
572121.2289 0.6514 -5.4057 3 635.2106471 89502 303783444 773344 a-Alanine, conf. I
572130.3471 0.6534 -5.4057 3 635.2101471 89502 303783445 773345 a-Alanine, conf. I
572133.4838 0.6542 -4.5523 3 635.2101471 89502 303783444 773345 a-Alanine, conf. I
572149.8455 1.9451 -5.1332 3 1197.4882717 89502 303B912A7 B813A6 a-Alanine, conf. I
572149.8455 1.9451 -5.1332 3 1197.4882717 89502 303B913A7 B812A6 a-Alanine, conf. I
572176.9086 0.3610 -5.1757 3 535.1060369 89502 3036152 9 6051 9 a-Alanine, conf. I
572176.9086 0.3610 -4.0379 3 535.1060369 89502 3036152 9 605110 a-Alanine, conf. I
572176.9086 0.3610 -4.0379 3 535.1060369 89502 303615210 6051 9 a-Alanine, conf. I
572176.9086 0.3610 -5.1757 3 535.1060369 89502 303615210 605110 a-Alanine, conf. I
572200.9439 2.0786 -5.3508 3 1061.0993621 89502 303A33470 A23369 a-Alanine, conf. I
572358.8523 1.0992 -5.3325 3 294.8055351 89502 303581048 57 949 a-Alanine, conf. I
572358.8523 1.0992 -5.3325 3 294.8055351 89502 303581148 57 849 a-Alanine, conf. I
572362.3746 3.5008 -5.0942 3 1224.8044759 89502 303C6 3C3 C5 4C2 a-Alanine, conf. I
572362.3746 3.5008 -5.0942 3 1224.8044759 89502 303C6 4C3 C5 3C2 a-Alanine, conf. I
572366.8525 0.4545 -5.2637 3 564.1074417 89502 303694326 684226 a-Alanine, conf. I
572366.8525 0.4545 -4.2087 3 564.1074417 89502 303694326 684227 a-Alanine, conf. I
572366.8525 0.4545 -4.2087 3 564.1074417 89502 303694327 684226 a-Alanine, conf. I
572366.8525 0.4545 -5.2637 3 564.1074417 89502 303694327 684227 a-Alanine, conf. I
572372.1804 2.8576 -5.4371 3 600.8126477 89502 303792158 782058 a-Alanine, conf. I
572372.2435 2.8575 -5.4371 3 600.8126477 89502 303792258 782158 a-Alanine, conf. I
572431.7000 8.2598 -4.9727 3 459.8866411 89502 303682345 672246 a-Alanine, conf. I
572524.9276 3.0595 -4.9984 3 381.9015381 89502 303631845 621746 a-Alanine, conf. I
572541.3026 3.0525 -4.9984 3 381.9015381 89502 303631945 621646 a-Alanine, conf. I
572583.5459 4.0555 -5.3787 3 992.4668597 89502 303993564 983563 a-Alanine, conf. I
572609.8456 1.9228 -5.1723 3 1170.9554687 89502 303B41995 B32094 a-Alanine, conf. I
572609.8456 1.9228 -5.1723 3 1170.9554687 89502 303B42095 B31994 a-Alanine, conf. I
572692.6898 1.9637 -5.2251 3 1132.3796657 89502 303A92683 A82782 a-Alanine, conf. I
572692.6898 1.9637 -5.2251 3 1132.3796657 89502 303A92783 A82682 a-Alanine, conf. I
572789.7083 1.9394 -5.2775 3 1101.7698639 89502 303A63076 A53175 a-Alanine, conf. I
572790.1426 1.9393 -5.2775 3 1101.7698639 89502 303A63176 A53075 a-Alanine, conf. I
572833.8165 0.4790 -5.2773 3 570.3710423 89502 303704228 694128 a-Alanine, conf. I
572833.8165 0.4790 -4.2360 3 570.3710423 89502 303704228 694129 a-Alanine, conf. I
572833.8165 0.4790 -4.2360 3 570.3710423 89502 303704229 694128 a-Alanine, conf. I
572833.8165 0.4790 -5.2773 3 570.3710423 89502 303704229 694129 a-Alanine, conf. I
572858.0355 0.3490 -5.1852 3 538.2966375 89502 303625111 615011 a-Alanine, conf. I
572858.0355 0.3490 -4.0548 3 538.2966375 89502 303625111 615012 a-Alanine, conf. I
572858.0355 0.3490 -4.0548 3 538.2966375 89502 303625112 615011 a-Alanine, conf. I
572858.0355 0.3490 -5.1852 3 538.2966375 89502 303625112 615012 a-Alanine, conf. I
572952.8468 15.4632 -5.0101 3 535.3829441 89502 303732647 722548 a-Alanine, conf. I
572989.1165 4.9533 -5.4246 3 1065.8045621 89502 303A33469 A23568 a-Alanine, conf. I
573034.0174 2.5216 -5.1164 3 1217.2745741 89502 303C3 7B6 C2 8B5 a-Alanine, conf. I
573034.0174 2.5216 -5.1164 3 1217.2745741 89502 303C3 8B6 C2 7B5 a-Alanine, conf. I
573082.5722 1.8905 -5.1537 3 1190.2909705 89502 303B715A2 B616A1 a-Alanine, conf. I
573082.5722 1.8905 -5.1537 3 1190.2909705 89502 303B716A2 B615A1 a-Alanine, conf. I
573104.9681 0.6498 -4.4966 3 625.5272465 89502 303773543 763442 a-Alanine, conf. I
573105.1131 0.6498 -5.3873 3 625.5272465 89502 303773542 763442 a-Alanine, conf. I
573105.5888 0.6500 -5.3873 3 625.5272465 89502 303773543 763443 a-Alanine, conf. I
573105.7338 0.6500 -4.4966 3 625.5272465 89502 303773542 763443 a-Alanine, conf. I
573192.1189 3.8410 -5.0954 3 1230.8073765 89502 303C7 2C5 C6 3C4 a-Alanine, conf. I
573192.1189 3.8410 -5.0954 3 1230.8073765 89502 303C7 3C5 C6 2C4 a-Alanine, conf. I
573241.9265 0.5043 -5.2913 3 577.0185429 89502 303714130 704030 a-Alanine, conf. I
573241.9265 0.5043 -4.2651 3 577.0185429 89502 303714130 704031 a-Alanine, conf. I
573241.9265 0.5043 -4.2651 3 577.0185429 89502 303714131 704030 a-Alanine, conf. I
573241.9265 0.5043 -5.2913 3 577.0185429 89502 303714131 704031 a-Alanine, conf. I
573249.8288 1.9622 -5.1953 3 1158.6504675 89502 303B22290 B12389 a-Alanine, conf. I
573249.8288 1.9622 -5.1953 3 1158.6504675 89502 303B22390 B12289 a-Alanine, conf. I
573253.8987 2.0170 -5.1358 3 1205.7436723 89502 303C011A9 B912A8 a-Alanine, conf. I
573253.8987 2.0170 -5.1358 3 1205.7436723 89502 303C012A9 B911A8 a-Alanine, conf. I
573470.2657 2.0512 -5.0823 3 347.7013369 89502 303611546 601447 a-Alanine, conf. I
573470.3313 2.0512 -5.0823 3 347.7013369 89502 303611646 601347 a-Alanine, conf. I
573527.9908 0.3478 -5.1952 3 541.8389381 89502 303635013 624913 a-Alanine, conf. I
573527.9908 0.3478 -4.0726 3 541.8389381 89502 303635013 624914 a-Alanine, conf. I
573527.9908 0.3478 -4.0726 3 541.8389381 89502 303635014 624913 a-Alanine, conf. I
573527.9908 0.3478 -5.1952 3 541.8389381 89502 303635014 624914 a-Alanine, conf. I
573532.9909 6.1766 -4.8337 3 667.6833489 89502 303813150 803051 a-Alanine, conf. I
573576.2798 0.5307 -5.3059 3 584.0575435 89502 303724032 713932 a-Alanine, conf. I
573576.2798 0.5307 -4.2961 3 584.0575435 89502 303724032 713933 a-Alanine, conf. I
573576.2798 0.5307 -4.2961 3 584.0575435 89502 303724033 713932 a-Alanine, conf. I
573576.2798 0.5307 -5.3059 3 584.0575435 89502 303724033 713933 a-Alanine, conf. I
573650.7388 0.6345 -4.4481 3 616.3424459 89502 303763641 753540 a-Alanine, conf. I
573650.7442 0.6345 -5.3698 3 616.3424459 89502 303763640 753540 a-Alanine, conf. I
573650.7641 0.6345 -5.3698 3 616.3424459 89502 303763641 753541 a-Alanine, conf. I
573650.7695 0.6345 -4.4481 3 616.3424459 89502 303763640 753541 a-Alanine, conf. I
573728.5230 1.9592 -5.2665 3 1114.6256645 89502 303A72978 A63077 a-Alanine, conf. I
573728.5447 1.9592 -5.2665 3 1114.6256645 89502 303A73078 A62977 a-Alanine, conf. I
573778.0199 6.1561 -5.4119 3 377.3798369 89502 303612537 602238 a-Alanine, conf. I
573817.1176 0.5579 -5.3210 3 591.4969441 89502 303733934 723834 a-Alanine, conf. I
573817.1176 0.5579 -4.3295 3 591.4969441 89502 303733934 723835 a-Alanine, conf. I
573817.1176 0.5579 -4.3295 3 591.4969441 89502 303733935 723834 a-Alanine, conf. I
573817.1176 0.5579 -5.3210 3 591.4969441 89502 303733935 723835 a-Alanine, conf. I
573852.9437 1.9216 -5.1743 3 1180.9157693 89502 303B51897 B41996 a-Alanine, conf. I
573852.9437 1.9216 -5.1743 3 1180.9157693 89502 303B51997 B41896 a-Alanine, conf. I
573900.3338 0.6116 -4.4048 3 607.6237453 89502 303753739 743638 a-Alanine, conf. I
573900.3340 0.6116 -5.3529 3 607.6237453 89502 303753738 743638 a-Alanine, conf. I
573900.3347 0.6116 -5.3529 3 607.6237453 89502 303753739 743639 a-Alanine, conf. I
573900.3348 0.6116 -4.4048 3 607.6237453 89502 303753738 743639 a-Alanine, conf. I
573909.8828 1.9786 -5.2227 3 1144.0980663 89502 303B02585 A92684 a-Alanine, conf. I
573909.8828 1.9786 -5.2227 3 1144.0980663 89502 303B02685 A92584 a-Alanine, conf. I
573937.6285 0.5852 -5.3367 3 599.3477447 89502 303743836 733736 a-Alanine, conf. I
573937.6285 0.5852 -4.3655 3 599.3477447 89502 303743837 733736 a-Alanine, conf. I
573937.6286 0.5852 -4.3655 3 599.3477447 89502 303743836 733737 a-Alanine, conf. I
573937.6286 0.5852 -5.3367 3 599.3477447 89502 303743837 733737 a-Alanine, conf. I
573944.4477 1.5409 -4.7467 3 671.3220489 89502 303813249 803150 a-Alanine, conf. I
573985.0424 4.2112 -5.0965 3 1236.5561771 89502 303C8 1C7 C7 2C6 a-Alanine, conf. I
573985.0424 4.2112 -5.0965 3 1236.5561771 89502 303C8 2C7 C7 1C6 a-Alanine, conf. I
573993.3853 2.7408 -5.1185 3 1224.2998747 89502 303C4 6B8 C3 7B7 a-Alanine, conf. I
573993.3853 2.7408 -5.1185 3 1224.2998747 89502 303C4 7B8 C3 6B7 a-Alanine, conf. I
574049.6226 0.5852 -5.1471 3 534.5047345 89502 3035757 0 5656 0 a-Alanine, conf. I
574049.6226 0.5852 -3.9810 3 534.5047345 89502 3035757 0 5656 1 a-Alanine, conf. I
574049.6226 0.5852 -3.9810 3 534.5047345 89502 3035757 1 5656 0 a-Alanine, conf. I
574049.6226 0.5852 -5.1471 3 534.5047345 89502 3035757 1 5656 1 a-Alanine, conf. I
574165.4920 11.8788 -4.9032 3 649.0843483 89502 303803050 792951 a-Alanine, conf. I
574184.6604 0.3551 -5.2057 3 545.7350387 89502 303644915 634815 a-Alanine, conf. I
574184.6604 0.3551 -4.0914 3 545.7350387 89502 303644915 634816 a-Alanine, conf. I
574184.6604 0.3551 -4.0914 3 545.7350387 89502 303644916 634815 a-Alanine, conf. I
574184.6604 0.3551 -5.2057 3 545.7350387 89502 303644916 634816 a-Alanine, conf. I
574186.2398 3.0706 -4.9867 3 463.1968411 89502 303682544 672245 a-Alanine, conf. I
574256.0041 1.9099 -5.1563 3 1199.2847711 89502 303B814A4 B715A3 a-Alanine, conf. I
574256.0041 1.9099 -5.1563 3 1199.2847711 89502 303B815A4 B714A3 a-Alanine, conf. I
574329.5304 2.1150 -5.1384 3 1213.7632729 89502 303C110B1 C011B0 a-Alanine, conf. I
574329.5304 2.1150 -5.1384 3 1213.7632729 89502 303C111B1 C010B0 a-Alanine, conf. I
574514.5190 1.9661 -5.1963 3 1169.3534681 89502 303B32192 B22291 a-Alanine, conf. I
574514.5190 1.9661 -5.1963 3 1169.3534681 89502 303B32292 B22191 a-Alanine, conf. I
574602.4389 0.7307 -4.6545 3 660.2361483 89502 303803348 793247 a-Alanine, conf. I
574740.4121 4.6105 -5.0974 3 1242.0481777 89502 303C9 0C9 C8 1C8 a-Alanine, conf. I
574740.4121 4.6105 -5.0974 3 1242.0481777 89502 303C9 1C9 C8 0C8 a-Alanine, conf. I
574763.0527 0.5165 -5.1545 3 536.1443351 89502 3035856 2 5755 2 a-Alanine, conf. I
574763.0527 0.5165 -3.9940 3 536.1443351 89502 3035856 2 5755 3 a-Alanine, conf. I
574763.0527 0.5165 -3.9940 3 536.1443351 89502 3035856 3 5755 2 a-Alanine, conf. I
574763.0527 0.5165 -5.1545 3 536.1443351 89502 3035856 3 5755 3 a-Alanine, conf. I
574783.5321 1.9775 -5.2588 3 1127.1856651 89502 303A82880 A72979 a-Alanine, conf. I
574783.5331 1.9775 -5.2588 3 1127.1856651 89502 303A82980 A72879 a-Alanine, conf. I
574825.4599 0.3686 -5.2167 3 549.9872393 89502 303654817 644717 a-Alanine, conf. I
574825.4599 0.3686 -4.1112 3 549.9872393 89502 303654817 644718 a-Alanine, conf. I
574825.4599 0.3686 -4.1112 3 549.9872393 89502 303654818 644717 a-Alanine, conf. I
574825.4599 0.3686 -5.2167 3 549.9872393 89502 303654818 644718 a-Alanine, conf. I
574919.0072 2.9926 -5.1205 3 1231.0802753 89502 303C5 5C0 C4 6B9 a-Alanine, conf. I
574919.0072 2.9926 -5.1205 3 1231.0802753 89502 303C5 6C0 C4 5B9 a-Alanine, conf. I
574979.7076 3.5208 -4.9833 3 397.1571387 89502 303641945 631846 a-Alanine, conf. I
575047.1442 3.4912 -4.9832 3 397.1570387 89502 303642045 631746 a-Alanine, conf. I
575080.8502 1.9215 -5.1766 3 1190.6444699 89502 303B61799 B51898 a-Alanine, conf. I
575080.8502 1.9215 -5.1766 3 1190.6444699 89502 303B61899 B51798 a-Alanine, conf. I
575086.9033 0.6849 -4.6538 3 660.2237483 89502 303803347 793248 a-Alanine, conf. I
575152.2326 1.9913 -5.2216 3 1155.5660669 89502 303B12487 B02586 a-Alanine, conf. I
575152.2326 1.9913 -5.2216 3 1155.5660669 89502 303B12587 B02486 a-Alanine, conf. I
575280.5605 2.0118 -5.3662 3 1080.1858627 89502 303A43371 A33470 a-Alanine, conf. I
575375.4256 2.2424 -5.1409 3 1221.5452735 89502 303C2 9B3 C110B2 a-Alanine, conf. I
575375.4256 2.2424 -5.1409 3 1221.5452735 89502 303C210B3 C1 9B2 a-Alanine, conf. I
575405.3520 1.9436 -5.1591 3 1208.0458717 89502 303B913A6 B814A5 a-Alanine, conf. I
575405.3520 1.9436 -5.1591 3 1208.0458717 89502 303B914A6 B813A5 a-Alanine, conf. I
575447.2201 0.3863 -5.2281 3 554.5983399 89502 303664719 654619 a-Alanine, conf. I
575447.2201 0.3863 -4.1322 3 554.5983399 89502 303664719 654620 a-Alanine, conf. I
575447.2201 0.3863 -4.1322 3 554.5983399 89502 303664720 654619 a-Alanine, conf. I
575447.2201 0.3863 -5.2281 3 554.5983399 89502 303664720 654620 a-Alanine, conf. I
575470.9823 0.4593 -5.1623 3 538.1287357 89502 3035955 4 5854 4 a-Alanine, conf. I
575470.9823 0.4593 -4.0078 3 538.1287357 89502 3035955 4 5854 5 a-Alanine, conf. I
575470.9823 0.4593 -4.0078 3 538.1287357 89502 3035955 5 5854 4 a-Alanine, conf. I
575470.9823 0.4593 -5.1623 3 538.1287357 89502 3035955 5 5854 5 a-Alanine, conf. I
575733.3191 1.9405 -5.3344 3 1094.1269633 89502 303A53273 A43372 a-Alanine, conf. I
575774.8385 1.9673 -5.1978 3 1179.8213687 89502 303B42094 B32193 a-Alanine, conf. I
575774.8385 1.9673 -5.1978 3 1179.8213687 89502 303B42194 B32093 a-Alanine, conf. I
575790.3376 1.9275 -5.3343 3 1094.1257633 89502 303A53373 A43272 a-Alanine, conf. I
575809.9718 3.2766 -5.1223 3 1237.6132759 89502 303C6 4C2 C5 5C1 a-Alanine, conf. I
575809.9718 3.2766 -5.1223 3 1237.6132759 89502 303C6 5C2 C5 4C1 a-Alanine, conf. I
575917.3122 1.9950 -5.2536 3 1139.4671657 89502 303A92782 A82881 a-Alanine, conf. I
575917.3122 1.9950 -5.2536 3 1139.4671657 89502 303A92882 A82781 a-Alanine, conf. I
575924.2017 1.5687 -5.1658 3 328.4905363 89502 303601347 591248 a-Alanine, conf. I
575924.2024 1.5687 -5.1658 3 328.4905363 89502 303601447 591148 a-Alanine, conf. I
575985.5323 1.9439 -5.3650 3 1080.1707627 89502 303A43471 A33370 a-Alanine, conf. I
576046.0382 0.4067 -5.2400 3 559.5712405 89502 303674621 664521 a-Alanine, conf. I
576046.0382 0.4067 -4.1544 3 559.5712405 89502 303674621 664522 a-Alanine, conf. I
576046.0382 0.4067 -4.1544 3 559.5712405 89502 303674622 664521 a-Alanine, conf. I
576046.0382 0.4067 -5.2400 3 559.5712405 89502 303674622 664522 a-Alanine, conf. I
576172.5607 0.4145 -5.1706 3 540.4593363 89502 3036054 6 5953 6 a-Alanine, conf. I
576172.5607 0.4145 -4.0224 3 540.4593363 89502 3036054 6 5953 7 a-Alanine, conf. I
576172.5607 0.4145 -4.0224 3 540.4593363 89502 3036054 7 5953 6 a-Alanine, conf. I
576172.5607 0.4145 -5.1706 3 540.4593363 89502 3036054 7 5953 7 a-Alanine, conf. I
576290.7233 1.9251 -5.1792 3 1200.1416705 89502 303B716A1 B617A0 a-Alanine, conf. I
576290.7233 1.9251 -5.1792 3 1200.1416705 89502 303B717A1 B616A0 a-Alanine, conf. I
576319.2707 1.9657 -5.3138 3 1107.6748639 89502 303A63175 A53274 a-Alanine, conf. I
576323.0665 1.9648 -5.3137 3 1107.6747639 89502 303A63275 A53174 a-Alanine, conf. I
576390.3788 2.4011 -5.1434 3 1229.0878741 89502 303C3 8B5 C2 9B4 a-Alanine, conf. I
576390.3788 2.4011 -5.1434 3 1229.0878741 89502 303C3 9B5 C2 8B4 a-Alanine, conf. I
576409.1265 2.0011 -5.2215 3 1166.7893675 89502 303B22389 B12488 a-Alanine, conf. I
576409.1265 2.0011 -5.2215 3 1166.7893675 89502 303B22489 B12388 a-Alanine, conf. I
576454.6092 16.9975 -5.0131 3 566.3385453 89502 303752748 742649 a-Alanine, conf. I
576528.8756 1.9959 -5.1619 3 1216.5731723 89502 303C012A8 B913A7 a-Alanine, conf. I
576528.8756 1.9959 -5.1619 3 1216.5731723 89502 303C013A8 B912A7 a-Alanine, conf. I
576557.5005 19.1146 -5.1131 3 803.9072537 89502 303893357 883256 a-Alanine, conf. I
576593.7686 6.1370 -4.9657 3 443.9637405 89502 303672245 662146 a-Alanine, conf. I
576617.0817 0.4288 -5.2525 3 564.9096411 89502 303684523 674423 a-Alanine, conf. I
576617.0817 0.4288 -4.1778 3 564.9096411 89502 303684523 674424 a-Alanine, conf. I
576617.0817 0.4288 -4.1778 3 564.9096411 89502 303684524 674423 a-Alanine, conf. I
576617.0817 0.4288 -5.2525 3 564.9096411 89502 303684524 674424 a-Alanine, conf. I
576665.4226 3.5920 -5.1240 3 1243.8964765 89502 303C7 3C4 C6 4C3 a-Alanine, conf. I
576665.4226 3.5920 -5.1240 3 1243.8964765 89502 303C7 4C4 C6 3C3 a-Alanine, conf. I
576766.7513 4.0917 -4.9724 3 412.5908393 89502 303652045 641946 a-Alanine, conf. I
576784.8517 0.6655 -4.5833 3 649.7382477 89502 303793446 783345 a-Alanine, conf. I
576791.6950 0.6667 -5.4241 3 649.7382477 89502 303793445 783345 a-Alanine, conf. I
576810.8692 0.6702 -5.4240 3 649.7373477 89502 303793446 783346 a-Alanine, conf. I
576817.7125 0.6717 -4.5832 3 649.7373477 89502 303793445 783346 a-Alanine, conf. I
576866.7520 0.3827 -5.1794 3 543.1372369 89502 3036153 8 6052 8 a-Alanine, conf. I
576866.7520 0.3827 -4.0379 3 543.1372369 89502 3036153 8 6052 9 a-Alanine, conf. I
576866.7520 0.3827 -4.0379 3 543.1372369 89502 3036153 9 6052 8 a-Alanine, conf. I
576866.7520 0.3827 -5.1794 3 543.1372369 89502 3036153 9 6052 9 a-Alanine, conf. I
576914.3233 1.8182 -5.4085 3 1011.5661603 89502 303A03565 993564 a-Alanine, conf. I
577023.9398 3.9782 -4.9720 3 412.5905393 89502 303652145 641846 a-Alanine, conf. I
577026.2463 1.9666 -5.1998 3 1190.0556693 89502 303B51996 B42095 a-Alanine, conf. I
577026.2463 1.9666 -5.1998 3 1190.0556693 89502 303B52096 B41995 a-Alanine, conf. I
577104.5936 2.0115 -5.2503 3 1151.4826663 89502 303B02684 A92783 a-Alanine, conf. I
577104.5936 2.0115 -5.2503 3 1151.4826663 89502 303B02784 A92683 a-Alanine, conf. I
577130.5779 1.9883 -5.2996 3 1120.8761645 89502 303A73077 A63176 a-Alanine, conf. I
577130.7916 1.9882 -5.2996 3 1120.8761645 89502 303A73177 A63076 a-Alanine, conf. I
577154.3269 0.4521 -5.2654 3 570.6175417 89502 303694425 684325 a-Alanine, conf. I
577154.3269 0.4521 -4.2025 3 570.6175417 89502 303694425 684326 a-Alanine, conf. I
577154.3269 0.4521 -4.2025 3 570.6175417 89502 303694426 684325 a-Alanine, conf. I
577154.3269 0.4521 -5.2654 3 570.6175417 89502 303694426 684326 a-Alanine, conf. I
577261.0511 2.3628 -5.0547 3 362.6462375 89502 303621646 611547 a-Alanine, conf. I
577261.3975 2.3626 -5.0547 3 362.6462375 89502 303621746 611447 a-Alanine, conf. I
577263.2496 9.8537 -5.4154 3 1014.3615603 89502 303A03664 993663 a-Alanine, conf. I
577339.4066 1.2261 -5.2732 3 309.2325357 89502 303591148 581049 a-Alanine, conf. I
577339.4066 1.2261 -5.2732 3 309.2325357 89502 303591248 58 949 a-Alanine, conf. I
577373.2776 2.5925 -5.1458 3 1236.3888747 89502 303C4 7B7 C3 8B6 a-Alanine, conf. I
577373.2776 2.5925 -5.1458 3 1236.3888747 89502 303C4 8B7 C3 7B6 a-Alanine, conf. I
577480.1014 1.9355 -5.1820 3 1209.4069711 89502 303B815A3 B716A2 a-Alanine, conf. I
577480.1014 1.9355 -5.1820 3 1209.4069711 89502 303B816A3 B715A2 a-Alanine, conf. I
577484.5519 3.9382 -5.1254 3 1249.9269771 89502 303C8 2C6 C7 3C5 a-Alanine, conf. I
577484.5519 3.9382 -5.1254 3 1249.9269771 89502 303C8 3C6 C7 2C5 a-Alanine, conf. I
577549.9303 4.8803 -4.9661 3 428.1956399 89502 303662145 652046 a-Alanine, conf. I
577552.2977 0.3638 -5.1887 3 546.1641375 89502 303625210 615110 a-Alanine, conf. I
577552.2977 0.3638 -4.0542 3 546.1641375 89502 303625210 615111 a-Alanine, conf. I
577552.2977 0.3638 -4.0542 3 546.1641375 89502 303625211 615110 a-Alanine, conf. I
577552.2977 0.3638 -5.1887 3 546.1641375 89502 303625211 615111 a-Alanine, conf. I
577625.0105 2.0712 -5.1647 3 1224.8653729 89502 303C111B0 C012A9 a-Alanine, conf. I
577625.0105 2.0712 -5.1647 3 1224.8653729 89502 303C112B0 C011A9 a-Alanine, conf. I
577650.2019 0.4764 -5.2787 3 576.6996423 89502 303704327 694227 a-Alanine, conf. I
577650.2019 0.4764 -4.2288 3 576.6996423 89502 303704327 694228 a-Alanine, conf. I
577650.2019 0.4764 -4.2288 3 576.6996423 89502 303704328 694227 a-Alanine, conf. I
577650.2019 0.4764 -5.2787 3 576.6996423 89502 303704328 694228 a-Alanine, conf. I
577672.3393 2.0077 -5.2222 3 1177.7720681 89502 303B32291 B22390 a-Alanine, conf. I
577672.3393 2.0077 -5.2222 3 1177.7720681 89502 303B32391 B22290 a-Alanine, conf. I
577951.7638 0.6698 -4.5249 3 639.8112471 89502 303783544 773443 a-Alanine, conf. I
577952.1013 0.6699 -5.4052 3 639.8112471 89502 303783543 773443 a-Alanine, conf. I
577953.1732 0.6702 -5.4052 3 639.8112471 89502 303783544 773444 a-Alanine, conf. I
577953.5107 0.6703 -4.5249 3 639.8112471 89502 303783543 773444 a-Alanine, conf. I
577965.1035 1.0787 -5.4137 3 289.9537351 89502 30358 949 57 850 a-Alanine, conf. I
577965.1035 1.0787 -5.4137 3 289.9537351 89502 303581049 57 750 a-Alanine, conf. I
578095.0906 0.5016 -5.2926 3 583.1616429 89502 303714229 704129 a-Alanine, conf. I
578095.0906 0.5016 -4.2567 3 583.1616429 89502 303714229 704130 a-Alanine, conf. I
578095.0906 0.5016 -4.2567 3 583.1616429 89502 303714230 704129 a-Alanine, conf. I
578095.0906 0.5016 -5.2926 3 583.1616429 89502 303714230 704130 a-Alanine, conf. I
578099.4159 2.0078 -5.2898 3 1133.7631651 89502 303A82979 A73078 a-Alanine, conf. I
578099.4263 2.0078 -5.2898 3 1133.7631651 89502 303A83079 A72978 a-Alanine, conf. I
578207.9829 12.3190 -5.3986 3 1027.4611609 89502 303A13567 A03466 a-Alanine, conf. I
578209.6723 3.4838 -5.4298 3 1085.0019627 89502 303A43470 A33569 a-Alanine, conf. I
578227.6676 0.3568 -5.1985 3 549.5415381 89502 303635112 625012 a-Alanine, conf. I
578227.6676 0.3568 -4.0715 3 549.5415381 89502 303635112 625013 a-Alanine, conf. I
578227.6676 0.3568 -4.0715 3 549.5415381 89502 303635113 625012 a-Alanine, conf. I
578227.6676 0.3568 -5.1985 3 549.5415381 89502 303635113 625013 a-Alanine, conf. I
578264.9522 1.9653 -5.2022 3 1200.0574699 89502 303B61898 B51997 a-Alanine, conf. I
578264.9522 1.9653 -5.2022 3 1200.0574699 89502 303B61998 B51897 a-Alanine, conf. I
578266.5955 4.3144 -5.1266 3 1255.7022777 89502 303C9 1C8 C8 2C7 a-Alanine, conf. I
578266.5955 4.3144 -5.1266 3 1255.7022777 89502 303C9 2C8 C8 1C7 a-Alanine, conf. I
578322.7739 8.5404 -5.4045 3 1046.5137615 89502 303A23568 A13467 a-Alanine, conf. I
578323.0904 2.8169 -5.1481 3 1243.4462753 89502 303C5 6B9 C4 7B8 a-Alanine, conf. I
578323.0904 2.8169 -5.1481 3 1243.4462753 89502 303C5 7B9 C4 6B8 a-Alanine, conf. I
578327.5017 2.0262 -5.2486 3 1163.2416669 89502 303B12586 B02685 a-Alanine, conf. I
578327.5017 2.0262 -5.2486 3 1163.2416669 89502 303B12686 B02585 a-Alanine, conf. I
578453.5065 4.4841 -4.9650 3 428.1946399 89502 303662245 651946 a-Alanine, conf. I
578476.6250 0.5278 -5.3070 3 590.0100435 89502 303724131 714031 a-Alanine, conf. I
578476.6250 0.5278 -4.2864 3 590.0100435 89502 303724131 714032 a-Alanine, conf. I
578476.6250 0.5278 -4.2864 3 590.0100435 89502 303724132 714031 a-Alanine, conf. I
578476.6250 0.5278 -5.3070 3 590.0100435 89502 303724132 714032 a-Alanine, conf. I
578614.6407 0.6578 -4.4745 3 630.3951465 89502 303773642 763541 a-Alanine, conf. I
578614.6542 0.6578 -5.3872 3 630.3951465 89502 303773641 763541 a-Alanine, conf. I
578614.7019 0.6579 -5.3872 3 630.3951465 89502 303773642 763542 a-Alanine, conf. I
578614.7153 0.6579 -4.4745 3 630.3951465 89502 303773641 763542 a-Alanine, conf. I
578646.4732 0.9215 -4.6917 3 675.2422489 89502 303813349 803248 a-Alanine, conf. I
578646.8287 1.9566 -5.1850 3 1218.4398717 89502 303B914A5 B815A4 a-Alanine, conf. I
578646.8287 1.9566 -5.1850 3 1218.4398717 89502 303B915A5 B814A4 a-Alanine, conf. I
578692.3399 2.1732 -5.1676 3 1232.9207735 89502 303C210B2 C111B1 a-Alanine, conf. I
578692.3399 2.1732 -5.1676 3 1232.9207735 89502 303C211B2 C110B1 a-Alanine, conf. I
578778.6473 0.5549 -5.3219 3 597.2527441 89502 303734033 723933 a-Alanine, conf. I
578778.6473 0.5549 -4.3182 3 597.2527441 89502 303734033 723934 a-Alanine, conf. I
578778.6473 0.5549 -4.3182 3 597.2527441 89502 303734034 723933 a-Alanine, conf. I
578778.6473 0.5549 -5.3219 3 597.2527441 89502 303734034 723934 a-Alanine, conf. I
578891.0005 0.3596 -5.2088 3 553.2715387 89502 303645014 634914 a-Alanine, conf. I
578891.0005 0.3596 -4.0897 3 553.2715387 89502 303645014 634915 a-Alanine, conf. I
578891.0005 0.3596 -4.0897 3 553.2715387 89502 303645015 634914 a-Alanine, conf. I
578891.0005 0.3596 -5.2088 3 553.2715387 89502 303645015 634915 a-Alanine, conf. I
578935.3436 2.0112 -5.2235 3 1188.5172687 89502 303B42193 B32292 a-Alanine, conf. I
578935.3436 2.0112 -5.2235 3 1188.5172687 89502 303B42293 B32192 a-Alanine, conf. I
578948.8452 0.6364 -4.4298 3 621.4536459 89502 303763740 753639 a-Alanine, conf. I
578948.8457 0.6364 -5.3700 3 621.4536459 89502 303763739 753639 a-Alanine, conf. I
578948.8474 0.6364 -5.3700 3 621.4536459 89502 303763740 753640 a-Alanine, conf. I
578948.8478 0.6364 -4.4298 3 621.4536459 89502 303763739 753640 a-Alanine, conf. I
578979.6307 0.5827 -5.3374 3 604.8992447 89502 303743935 733835 a-Alanine, conf. I
578979.6307 0.5827 -4.3524 3 604.8992447 89502 303743935 733836 a-Alanine, conf. I
578979.6307 0.5827 -4.3524 3 604.8992447 89502 303743936 733835 a-Alanine, conf. I
578979.6307 0.5827 -5.3374 3 604.8992447 89502 303743936 733836 a-Alanine, conf. I
579010.8276 4.7199 -5.1276 3 1261.2194783 89502 303D0 0D0 C9 1C9 a-Alanine, conf. I
579010.8276 4.7199 -5.1276 3 1261.2194783 89502 303D0 1D0 C9 0C9 a-Alanine, conf. I
579024.7357 24.1660 -5.2731 3 894.4508567 89502 303943461 933360 a-Alanine, conf. I
579050.1788 0.6104 -4.3894 3 612.9612453 89502 303753838 743737 a-Alanine, conf. I
579050.1789 0.6104 -5.3534 3 612.9612453 89502 303753837 743737 a-Alanine, conf. I
579050.1789 0.6104 -4.3894 3 612.9612453 89502 303753837 743738 a-Alanine, conf. I
579050.1789 0.6104 -5.3534 3 612.9612453 89502 303753838 743738 a-Alanine, conf. I
579174.2215 2.0261 -5.2831 3 1146.3583657 89502 303A92881 A82980 a-Alanine, conf. I
579174.2219 2.0261 -5.2831 3 1146.3583657 89502 303A92981 A82880 a-Alanine, conf. I
579238.8558 3.0741 -5.1503 3 1250.2574759 89502 303C6 5C1 C5 6C0 a-Alanine, conf. I
579238.8558 3.0741 -5.1503 3 1250.2574759 89502 303C6 6C1 C5 5C0 a-Alanine, conf. I
579442.4065 0.5647 -5.1593 3 544.8195351 89502 3035857 1 5756 1 a-Alanine, conf. I
579442.4065 0.5647 -3.9960 3 544.8195351 89502 3035857 1 5756 2 a-Alanine, conf. I
579442.4065 0.5647 -3.9960 3 544.8195351 89502 3035857 2 5756 1 a-Alanine, conf. I
579442.4065 0.5647 -5.1593 3 544.8195351 89502 3035857 2 5756 2 a-Alanine, conf. I
579487.1451 4.9036 -4.9627 3 443.9595405 89502 303672345 662046 a-Alanine, conf. I
579487.7459 1.9655 -5.2049 3 1209.8271705 89502 303B717A0 B61899 a-Alanine, conf. I
579487.7459 1.9655 -5.2049 3 1209.8271705 89502 303B718A0 B61799 a-Alanine, conf. I
579501.0037 2.6382 -4.7929 3 686.5864495 89502 303823250 813151 a-Alanine, conf. I
579540.0284 0.3701 -5.2195 3 557.3562393 89502 303654916 644816 a-Alanine, conf. I
579540.0284 0.3701 -4.1089 3 557.3562393 89502 303654916 644817 a-Alanine, conf. I
579540.0284 0.3701 -4.1089 3 557.3562393 89502 303654917 644816 a-Alanine, conf. I
579540.0284 0.3701 -5.2195 3 557.3562393 89502 303654917 644817 a-Alanine, conf. I
579547.8243 2.0008 -5.3814 3 1099.3835633 89502 303A53372 A43471 a-Alanine, conf. I
579572.8869 2.0385 -5.2480 3 1174.7510675 89502 303B22488 B12587 a-Alanine, conf. I
579572.8869 2.0385 -5.2480 3 1174.7510675 89502 303B22588 B12487 a-Alanine, conf. I
579586.1745 0.7289 -4.6905 3 675.2182489 89502 303813348 803249 a-Alanine, conf. I
579729.5712 2.3049 -5.1703 3 1240.7377741 89502 303C3 9B4 C210B3 a-Alanine, conf. I
579729.5712 2.3049 -5.1703 3 1240.7377741 89502 303C310B4 C2 9B3 a-Alanine, conf. I
579788.9978 1.9926 -5.1880 3 1227.2392723 89502 303C013A7 B914A6 a-Alanine, conf. I
579788.9978 1.9926 -5.1880 3 1227.2392723 89502 303C014A7 B913A6 a-Alanine, conf. I
579791.1236 5.7429 -5.4126 3 1065.6621621 89502 303A33569 A23468 a-Alanine, conf. I
579804.5165 17.7367 -5.0072 3 598.1223465 89502 303772849 762750 a-Alanine, conf. I
579849.2802 16.8344 -5.3939 3 1008.4941603 89502 303A03566 993465 a-Alanine, conf. I
579936.7047 1.9417 -5.3807 3 1099.3751633 89502 303A53472 A43371 a-Alanine, conf. I
579982.8770 1.9899 -5.3534 3 1113.3320639 89502 303A63274 A53373 a-Alanine, conf. I
580012.8619 1.9825 -5.3534 3 1113.3313639 89502 303A63374 A53273 a-Alanine, conf. I
580119.6731 3.3637 -5.1523 3 1256.8202765 89502 303C7 4C3 C6 5C2 a-Alanine, conf. I
580119.6731 3.3637 -5.1523 3 1256.8202765 89502 303C7 5C3 C6 4C2 a-Alanine, conf. I
580152.6371 0.5004 -5.1669 3 546.6433357 89502 3035956 3 5855 3 a-Alanine, conf. I
580152.6371 0.5004 -4.0093 3 546.6433357 89502 3035956 3 5855 4 a-Alanine, conf. I
580152.6371 0.5004 -4.0093 3 546.6433357 89502 3035956 4 5855 3 a-Alanine, conf. I
580152.6371 0.5004 -5.1669 3 546.6433357 89502 3035956 4 5855 4 a-Alanine, conf. I
580171.9807 0.3859 -5.2308 3 561.7980399 89502 303664818 654718 a-Alanine, conf. I
580171.9807 0.3859 -4.1292 3 561.7980399 89502 303664818 654719 a-Alanine, conf. I
580171.9807 0.3859 -4.1292 3 561.7980399 89502 303664819 654718 a-Alanine, conf. I
580171.9807 0.3859 -5.2308 3 561.7980399 89502 303664819 654719 a-Alanine, conf. I
580192.8521 2.0120 -5.2255 3 1199.0271693 89502 303B52095 B42194 a-Alanine, conf. I
580192.8521 2.0120 -5.2255 3 1199.0271693 89502 303B52195 B42094 a-Alanine, conf. I
580293.9331 1.8154 -5.1282 3 343.2897369 89502 303611447 601348 a-Alanine, conf. I
580293.9380 1.8154 -5.1282 3 343.2897369 89502 303611547 601248 a-Alanine, conf. I
580321.0672 2.0436 -5.2787 3 1158.6776663 89502 303B02783 A92882 a-Alanine, conf. I
580321.0672 2.0436 -5.2787 3 1158.6776663 89502 303B02883 A92782 a-Alanine, conf. I
580625.4789 2.0158 -5.3350 3 1126.8988645 89502 303A73176 A63275 a-Alanine, conf. I
580627.3986 2.0154 -5.3350 3 1126.8987645 89502 303A73276 A63175 a-Alanine, conf. I
580691.8719 1.9698 -5.2077 3 1219.3646711 89502 303B816A2 B717A1 a-Alanine, conf. I
580691.8719 1.9698 -5.2077 3 1219.3646711 89502 303B817A2 B716A1 a-Alanine, conf. I
580692.5713 4.9823 -4.9671 3 459.8712411 89502 303682445 672146 a-Alanine, conf. I
580728.9703 2.7119 -5.0316 3 377.7860381 89502 303631746 621647 a-Alanine, conf. I
580730.6720 2.7111 -5.0316 3 377.7860381 89502 303631846 621547 a-Alanine, conf. I
580735.5178 2.4684 -5.1731 3 1248.3141747 89502 303C4 8B6 C3 9B5 a-Alanine, conf. I
580735.5178 2.4684 -5.1731 3 1248.3141747 89502 303C4 9B6 C3 8B5 a-Alanine, conf. I
580783.4607 0.4052 -5.2425 3 566.5998405 89502 303674720 664620 a-Alanine, conf. I
580783.4607 0.4052 -4.1507 3 566.5998405 89502 303674720 664621 a-Alanine, conf. I
580783.4607 0.4052 -4.1507 3 566.5998405 89502 303674721 664620 a-Alanine, conf. I
580783.4607 0.4052 -5.2425 3 566.5998405 89502 303674721 664621 a-Alanine, conf. I
580830.7617 2.0478 -5.2483 3 1186.0162681 89502 303B32390 B22489 a-Alanine, conf. I
580830.7617 2.0478 -5.2483 3 1186.0162681 89502 303B32490 B22389 a-Alanine, conf. I
580838.8909 10.3498 -4.9942 3 488.7689423 89502 303702446 692347 a-Alanine, conf. I
580856.9455 0.4481 -5.1750 3 548.8124363 89502 3036055 5 5954 5 a-Alanine, conf. I
580856.9455 0.4481 -4.0234 3 548.8124363 89502 3036055 5 5954 6 a-Alanine, conf. I
580856.9455 0.4481 -4.0234 3 548.8124363 89502 3036055 6 5954 5 a-Alanine, conf. I
580856.9455 0.4481 -5.1750 3 548.8124363 89502 3036055 6 5954 6 a-Alanine, conf. I
580904.9056 2.0478 -5.1910 3 1235.8040729 89502 303C112A9 C013A8 a-Alanine, conf. I
580904.9056 2.0478 -5.1910 3 1235.8040729 89502 303C113A9 C012A8 a-Alanine, conf. I
580964.6961 3.6849 -5.1541 3 1263.1318771 89502 303C8 3C5 C7 4C4 a-Alanine, conf. I
580964.6961 3.6849 -5.1541 3 1263.1318771 89502 303C8 4C5 C7 3C4 a-Alanine, conf. I
581370.2850 0.4267 -5.2547 3 571.7647411 89502 303684622 674522 a-Alanine, conf. I
581370.2850 0.4267 -4.1733 3 571.7647411 89502 303684622 674523 a-Alanine, conf. I
581370.2850 0.4267 -4.1733 3 571.7647411 89502 303684623 674522 a-Alanine, conf. I
581370.2850 0.4267 -5.2547 3 571.7647411 89502 303684623 674523 a-Alanine, conf. I
581374.0375 0.6805 -4.6154 3 664.4696483 89502 303803447 793346 a-Alanine, conf. I
581440.5047 2.0110 -5.2278 3 1209.3032699 89502 303B61997 B52096 a-Alanine, conf. I
581440.5047 2.0110 -5.2278 3 1209.3032699 89502 303B62097 B51996 a-Alanine, conf. I
581442.7676 0.6897 -4.6153 3 664.4678483 89502 303803446 793347 a-Alanine, conf. I
581478.1783 2.0378 -5.3224 3 1140.1271651 89502 303A83078 A73177 a-Alanine, conf. I
581478.2828 2.0377 -5.3224 3 1140.1271651 89502 303A83178 A73077 a-Alanine, conf. I
581516.7631 2.0599 -5.2761 3 1170.7328669 89502 303B12685 B02784 a-Alanine, conf. I
581516.7631 2.0599 -5.2761 3 1170.7328669 89502 303B12785 B02684 a-Alanine, conf. I
581554.4122 0.4088 -5.1836 3 551.3281369 89502 3036154 7 6053 7 a-Alanine, conf. I
581554.4122 0.4088 -4.0384 3 551.3281369 89502 3036154 7 6053 8 a-Alanine, conf. I
581554.4122 0.4088 -4.0384 3 551.3281369 89502 3036154 8 6053 7 a-Alanine, conf. I
581554.4122 0.4088 -5.1836 3 551.3281369 89502 3036154 8 6053 8 a-Alanine, conf. I
581649.0034 2.3659 -5.1024 3 466.0415411 89502 303682643 672344 a-Alanine, conf. I
581709.0836 2.6648 -5.1757 3 1255.6479753 89502 303C5 7B8 C4 8B7 a-Alanine, conf. I
581709.0836 2.6648 -5.1757 3 1255.6479753 89502 303C5 8B8 C4 7B7 a-Alanine, conf. I
581740.4595 4.4265 -5.1699 3 453.1985405 89502 303672642 662343 a-Alanine, conf. I
581773.1258 4.0370 -5.1557 3 1269.1897777 89502 303C9 2C7 C8 3C6 a-Alanine, conf. I
581773.1258 4.0370 -5.1557 3 1269.1897777 89502 303C9 3C7 C8 2C6 a-Alanine, conf. I
581874.9370 1.9814 -5.2108 3 1228.6696717 89502 303B915A4 B816A3 a-Alanine, conf. I
581874.9370 1.9814 -5.2108 3 1228.6696717 89502 303B916A4 B815A3 a-Alanine, conf. I
581927.2710 0.4497 -5.2674 3 577.2966417 89502 303694524 684424 a-Alanine, conf. I
581927.2710 0.4497 -4.1972 3 577.2966417 89502 303694524 684425 a-Alanine, conf. I
581927.2710 0.4497 -4.1972 3 577.2966417 89502 303694525 684424 a-Alanine, conf. I
581927.2710 0.4497 -5.2674 3 577.2966417 89502 303694525 684425 a-Alanine, conf. I
581993.0187 2.1266 -5.1941 3 1244.1328735 89502 303C211B1 C112B0 a-Alanine, conf. I
581993.0187 2.1266 -5.1941 3 1244.1328735 89502 303C212B1 C111B0 a-Alanine, conf. I
582093.3352 2.0539 -5.2495 3 1197.0410687 89502 303B42292 B32391 a-Alanine, conf. I
582093.3352 2.0539 -5.2495 3 1197.0410687 89502 303B42392 B32291 a-Alanine, conf. I
582146.2572 1.3981 -5.2225 3 323.8713363 89502 303601248 591149 a-Alanine, conf. I
582146.2572 1.3981 -5.2225 3 323.8713363 89502 303601348 591049 a-Alanine, conf. I
582219.3370 3.8857 -5.4229 3 1084.9173627 89502 303A43570 A33469 a-Alanine, conf. I
582243.9211 0.3826 -5.1927 3 554.1918375 89502 3036253 9 6152 9 a-Alanine, conf. I
582243.9211 0.3826 -4.0542 3 554.1918375 89502 3036253 9 615210 a-Alanine, conf. I
582243.9211 0.3826 -4.0542 3 554.1918375 89502 303625310 6152 9 a-Alanine, conf. I
582243.9211 0.3826 -5.1927 3 554.1918375 89502 303625310 615210 a-Alanine, conf. I
582353.0063 1.3446 -4.7315 3 690.4667495 89502 303823350 813249 a-Alanine, conf. I
582447.9521 0.4738 -5.2806 3 583.1995423 89502 303704426 694326 a-Alanine, conf. I
582447.9521 0.4738 -4.2225 3 583.1995423 89502 303704426 694327 a-Alanine, conf. I
582447.9521 0.4738 -4.2225 3 583.1995423 89502 303704427 694326 a-Alanine, conf. I
582447.9521 0.4738 -5.2806 3 583.1995423 89502 303704427 694327 a-Alanine, conf. I
582474.2367 2.0571 -5.3137 3 1153.0464657 89502 303A92980 A83079 a-Alanine, conf. I
582474.2416 2.0571 -5.3137 3 1153.0464657 89502 303A93080 A82979 a-Alanine, conf. I
582544.2058 4.4192 -5.1571 3 1274.9911783 89502 303D0 1C9 C9 2C8 a-Alanine, conf. I
582544.2058 4.4192 -5.1571 3 1274.9911783 89502 303D0 2C9 C9 1C8 a-Alanine, conf. I
582592.9509 15.8985 -5.0550 3 786.9179531 89502 303883356 873255 a-Alanine, conf. I
582649.2512 2.8944 -5.1782 3 1262.7370759 89502 303C6 6C0 C5 7B9 a-Alanine, conf. I
582649.2512 2.8944 -5.1782 3 1262.7370759 89502 303C6 7C0 C5 6B9 a-Alanine, conf. I
582674.6479 2.0097 -5.2305 3 1219.3462705 89502 303B71899 B61998 a-Alanine, conf. I
582674.6479 2.0097 -5.2305 3 1219.3462705 89502 303B71999 B61898 a-Alanine, conf. I
582744.7269 2.0744 -5.2749 3 1182.5325675 89502 303B22587 B12686 a-Alanine, conf. I
582744.7269 2.0744 -5.2749 3 1182.5325675 89502 303B22687 B12586 a-Alanine, conf. I
582751.9251 0.6887 -4.5541 3 654.2945477 89502 303793545 783444 a-Alanine, conf. I
582755.8317 0.6898 -4.5541 3 654.2944477 89502 303793544 783445 a-Alanine, conf. I
582924.1182 0.3690 -5.2022 3 557.4051381 89502 303635211 625111 a-Alanine, conf. I
582924.1182 0.3690 -4.0710 3 557.4051381 89502 303635211 625112 a-Alanine, conf. I
582924.1182 0.3690 -4.0710 3 557.4051381 89502 303635212 625111 a-Alanine, conf. I
582924.1182 0.3690 -5.2022 3 557.4051381 89502 303635212 625112 a-Alanine, conf. I
582924.1869 0.4989 -5.2943 3 589.4787429 89502 303714328 704228 a-Alanine, conf. I
582924.1869 0.4989 -4.2494 3 589.4787429 89502 303714328 704229 a-Alanine, conf. I
582924.1869 0.4989 -4.2494 3 589.4787429 89502 303714329 704228 a-Alanine, conf. I
582924.1869 0.4989 -5.2943 3 589.4787429 89502 303714329 704229 a-Alanine, conf. I
583034.8398 2.0042 -5.2140 3 1237.7414723 89502 303C014A6 B915A5 a-Alanine, conf. I
583034.8398 2.0042 -5.2140 3 1237.7414723 89502 303C015A6 B914A5 a-Alanine, conf. I
583051.9460 2.2326 -5.1972 3 1252.2238741 89502 303C310B3 C211B2 a-Alanine, conf. I
583051.9460 2.2326 -5.1972 3 1252.2238741 89502 303C311B3 C210B2 a-Alanine, conf. I
583118.7284 1.1497 -5.3447 3 304.4206357 89502 303591049 58 950 a-Alanine, conf. I
583118.7284 1.1497 -5.3447 3 304.4206357 89502 303591149 58 850 a-Alanine, conf. I
583213.1230 9.6466 -4.8979 3 682.9790495 89502 303823151 813052 a-Alanine, conf. I
583277.2178 4.8310 -5.1583 3 1280.5331789 89502 303D1 0D1 D0 1D0 a-Alanine, conf. I
583277.2178 4.8310 -5.1583 3 1280.5331789 89502 303D1 1D1 D0 0D0 a-Alanine, conf. I
583345.6136 0.5249 -5.3085 3 596.1398435 89502 303724230 714130 a-Alanine, conf. I
583345.6136 0.5249 -4.2779 3 596.1398435 89502 303724230 714131 a-Alanine, conf. I
583345.6136 0.5249 -4.2779 3 596.1398435 89502 303724231 714130 a-Alanine, conf. I
583345.6136 0.5249 -5.3085 3 596.1398435 89502 303724231 714131 a-Alanine, conf. I
583354.3904 2.0569 -5.2513 3 1207.8284693 89502 303B52194 B42293 a-Alanine, conf. I
583354.3904 2.0569 -5.2513 3 1207.8284693 89502 303B52294 B42193 a-Alanine, conf. I
583420.4165 4.2521 -4.9840 3 475.9057417 89502 303692545 682246 a-Alanine, conf. I
583511.6965 21.4294 -5.3884 3 989.6090597 89502 303993565 983464 a-Alanine, conf. I
583544.6842 0.6808 -4.5018 3 644.6439471 89502 303783643 773542 a-Alanine, conf. I
583544.7168 0.6808 -5.4052 3 644.6439471 89502 303783642 773542 a-Alanine, conf. I
583544.8292 0.6808 -5.4052 3 644.6439471 89502 303783643 773543 a-Alanine, conf. I
583544.8619 0.6809 -4.5018 3 644.6439471 89502 303783642 773543 a-Alanine, conf. I
583555.0713 3.1571 -5.1805 3 1269.5788765 89502 303C7 5C2 C6 6C1 a-Alanine, conf. I
583555.0713 3.1571 -5.1805 3 1269.5788765 89502 303C7 6C2 C6 5C1 a-Alanine, conf. I
583567.0483 2.0754 -5.3079 3 1165.6774663 89502 303B02882 A92981 a-Alanine, conf. I
583567.0485 2.0754 -5.3079 3 1165.6774663 89502 303B02982 A92881 a-Alanine, conf. I
583593.3603 0.3666 -5.2122 3 560.9697387 89502 303645113 635013 a-Alanine, conf. I
583593.3603 0.3666 -4.0886 3 560.9697387 89502 303645113 635014 a-Alanine, conf. I
583593.3603 0.3666 -4.0886 3 560.9697387 89502 303645114 635013 a-Alanine, conf. I
583593.3603 0.3666 -5.2122 3 560.9697387 89502 303645114 635014 a-Alanine, conf. I
583683.1223 17.4826 -4.9950 3 630.7353477 89502 303792950 782851 a-Alanine, conf. I
583698.8656 0.5519 -5.3232 3 603.1900441 89502 303734132 724032 a-Alanine, conf. I
583698.8656 0.5519 -4.3083 3 603.1900441 89502 303734132 724033 a-Alanine, conf. I
583698.8656 0.5519 -4.3083 3 603.1900441 89502 303734133 724032 a-Alanine, conf. I
583698.8656 0.5519 -5.3232 3 603.1900441 89502 303734133 724033 a-Alanine, conf. I
583782.9033 2.0274 -5.3982 3 1118.7197639 89502 303A63373 A53472 a-Alanine, conf. I
583820.8797 3.1056 -5.0126 3 393.1163387 89502 303641846 631747 a-Alanine, conf. I
583828.6586 3.1020 -5.0126 3 393.1163387 89502 303641946 631647 a-Alanine, conf. I
583892.1766 2.0102 -5.2335 3 1229.1567711 89502 303B817A1 B718A0 a-Alanine, conf. I
583892.1766 2.0102 -5.2335 3 1229.1567711 89502 303B818A1 B717A0 a-Alanine, conf. I
583966.4108 0.5798 -5.3384 3 610.6374447 89502 303744034 733934 a-Alanine, conf. I
583966.4108 0.5798 -4.3409 3 610.6374447 89502 303744034 733935 a-Alanine, conf. I
583966.4108 0.5798 -4.3409 3 610.6374447 89502 303744035 733934 a-Alanine, conf. I
583966.4108 0.5798 -5.3384 3 610.6374447 89502 303744035 733935 a-Alanine, conf. I
583971.1356 0.6614 -4.4556 3 635.4773465 89502 303773741 763640 a-Alanine, conf. I
583971.1368 0.6614 -5.3875 3 635.4773465 89502 303773740 763640 a-Alanine, conf. I
583971.1411 0.6614 -5.3875 3 635.4773465 89502 303773741 763641 a-Alanine, conf. I
583971.1422 0.6614 -4.4556 3 635.4773465 89502 303773740 763641 a-Alanine, conf. I
583992.6521 2.0863 -5.2748 3 1194.0835681 89502 303B32489 B22588 a-Alanine, conf. I
583992.6521 2.0863 -5.2748 3 1194.0835681 89502 303B32589 B22488 a-Alanine, conf. I
583994.9758 1.9861 -5.3978 3 1118.7152639 89502 303A63473 A53372 a-Alanine, conf. I
584080.4167 2.3687 -5.2002 3 1260.0753747 89502 303C4 9B5 C310B4 a-Alanine, conf. I
584080.4167 2.3687 -5.2002 3 1260.0753747 89502 303C410B5 C3 9B4 a-Alanine, conf. I
584120.4666 0.6172 -5.1646 3 553.6529351 89502 3035858 0 5757 0 a-Alanine, conf. I
584120.4666 0.6172 -3.9985 3 553.6529351 89502 3035858 0 5757 1 a-Alanine, conf. I
584120.4666 0.6172 -3.9985 3 553.6529351 89502 3035858 1 5757 0 a-Alanine, conf. I
584120.4666 0.6172 -5.1646 3 553.6529351 89502 3035858 1 5757 1 a-Alanine, conf. I
584124.7703 0.6081 -5.3542 3 618.4922453 89502 303753936 743836 a-Alanine, conf. I
584124.7703 0.6081 -4.3760 3 618.4922453 89502 303753936 743837 a-Alanine, conf. I
584124.7703 0.6081 -4.3760 3 618.4922453 89502 303753937 743836 a-Alanine, conf. I
584124.7703 0.6081 -5.3542 3 618.4922453 89502 303753937 743837 a-Alanine, conf. I
584132.2450 0.8377 -4.7291 3 690.4216495 89502 303823349 813250 a-Alanine, conf. I
584141.6596 0.6360 -5.3706 3 626.7669459 89502 303763838 753738 a-Alanine, conf. I
584141.6596 0.6360 -4.4140 3 626.7669459 89502 303763839 753738 a-Alanine, conf. I
584141.6598 0.6360 -4.4140 3 626.7669459 89502 303763838 753739 a-Alanine, conf. I
584141.6598 0.6360 -5.3706 3 626.7669459 89502 303763839 753739 a-Alanine, conf. I
584169.7170 2.0426 -5.2173 3 1246.5789729 89502 303C113A8 C014A7 a-Alanine, conf. I
584169.7170 2.0426 -5.2173 3 1246.5789729 89502 303C114A8 C013A7 a-Alanine, conf. I
584244.5255 2.0408 -5.3735 3 1132.6785645 89502 303A73275 A63374 a-Alanine, conf. I
584249.6509 0.3732 -5.2228 3 564.8877393 89502 303655015 644915 a-Alanine, conf. I
584249.6509 0.3732 -4.1073 3 564.8877393 89502 303655015 644916 a-Alanine, conf. I
584249.6509 0.3732 -4.1073 3 564.8877393 89502 303655016 644915 a-Alanine, conf. I
584249.6509 0.3732 -5.2228 3 564.8877393 89502 303655016 644916 a-Alanine, conf. I
584260.1588 2.0369 -5.3735 3 1132.6781645 89502 303A73375 A63274 a-Alanine, conf. I
584424.5311 2.0956 -5.0961 3 358.2917375 89502 303621547 611448 a-Alanine, conf. I
584424.5594 2.0956 -5.0961 3 358.2917375 89502 303621647 611348 a-Alanine, conf. I
584425.6544 3.4523 -5.1827 3 1276.1709771 89502 303C8 4C4 C7 5C3 a-Alanine, conf. I
584425.6544 3.4523 -5.1827 3 1276.1709771 89502 303C8 5C4 C7 4C3 a-Alanine, conf. I
584559.0732 0.7217 -5.0555 3 478.9808417 89502 303692644 682345 a-Alanine, conf. I
584608.8670 2.0573 -5.2535 3 1218.3802699 89502 303B62096 B52195 a-Alanine, conf. I
584608.8670 2.0573 -5.2535 3 1218.3802699 89502 303B62196 B52095 a-Alanine, conf. I
584713.0409 6.0965 -5.2518 3 440.4614399 89502 303662641 652342 a-Alanine, conf. I
584725.7610 2.0929 -5.3043 3 1178.0350669 89502 303B12784 B02883 a-Alanine, conf. I
584725.7610 2.0929 -5.3043 3 1178.0350669 89502 303B12884 B02783 a-Alanine, conf. I
584832.8299 0.5459 -5.1720 3 555.3163357 89502 3035957 2 5856 2 a-Alanine, conf. I
584832.8299 0.5459 -4.0114 3 555.3163357 89502 3035957 2 5856 3 a-Alanine, conf. I
584832.8299 0.5459 -4.0114 3 555.3163357 89502 3035957 3 5856 2 a-Alanine, conf. I
584832.8299 0.5459 -5.1720 3 555.3163357 89502 3035957 3 5856 3 a-Alanine, conf. I
584890.5596 0.3864 -5.2338 3 569.1613399 89502 303664917 654817 a-Alanine, conf. I
584890.5596 0.3864 -4.1269 3 569.1613399 89502 303664917 654818 a-Alanine, conf. I
584890.5596 0.3864 -4.1269 3 569.1613399 89502 303664918 654817 a-Alanine, conf. I
584890.5596 0.3864 -5.2338 3 569.1613399 89502 303664918 654818 a-Alanine, conf. I
584941.4940 2.0666 -5.3570 3 1146.2664651 89502 303A83177 A73276 a-Alanine, conf. I
584942.4582 2.0663 -5.3570 3 1146.2664651 89502 303A83277 A73176 a-Alanine, conf. I
585077.2625 2.5370 -5.2031 3 1267.6853753 89502 303C5 8B7 C4 9B6 a-Alanine, conf. I
585077.2625 2.5370 -5.2031 3 1267.6853753 89502 303C5 9B7 C4 8B6 a-Alanine, conf. I
585090.4175 2.0152 -5.2367 3 1238.7344717 89502 303B916A3 B817A2 a-Alanine, conf. I
585090.4175 2.0152 -5.2367 3 1238.7344717 89502 303B917A3 B816A2 a-Alanine, conf. I
585251.1230 2.0952 -5.2757 3 1205.3906687 89502 303B42391 B32490 a-Alanine, conf. I
585251.1230 2.0952 -5.2757 3 1205.3906687 89502 303B42491 B32390 a-Alanine, conf. I
585260.1637 3.7793 -5.1847 3 1282.5107777 89502 303C9 3C6 C8 4C5 a-Alanine, conf. I
585260.1637 3.7793 -5.1847 3 1282.5107777 89502 303C9 4C6 C8 3C5 a-Alanine, conf. I
585277.9016 2.1008 -5.2206 3 1255.1809735 89502 303C212B0 C113A9 a-Alanine, conf. I
585277.9016 2.1008 -5.2206 3 1255.1809735 89502 303C213B0 C112A9 a-Alanine, conf. I
585513.1183 0.4042 -5.2453 3 573.7931405 89502 303674819 664719 a-Alanine, conf. I
585513.1183 0.4042 -4.1477 3 573.7931405 89502 303674819 664720 a-Alanine, conf. I
585513.1183 0.4042 -4.1477 3 573.7931405 89502 303674820 664719 a-Alanine, conf. I
585513.1183 0.4042 -5.2453 3 573.7931405 89502 303674820 664720 a-Alanine, conf. I
585539.6424 0.4864 -5.1798 3 557.3244363 89502 3036056 4 5955 4 a-Alanine, conf. I
585539.6424 0.4864 -4.0250 3 557.3244363 89502 3036056 4 5955 5 a-Alanine, conf. I
585539.6424 0.4864 -4.0250 3 557.3244363 89502 3036056 5 5955 4 a-Alanine, conf. I
585539.6424 0.4864 -5.1798 3 557.3244363 89502 3036056 5 5955 5 a-Alanine, conf. I
585548.3137 2.1450 -4.7743 3 705.9165501 89502 303833351 823250 a-Alanine, conf. I
585831.7272 2.0879 -5.3458 3 1159.5231657 89502 303A93079 A83178 a-Alanine, conf. I
585831.7780 2.0879 -5.3458 3 1159.5231657 89502 303A93179 A83078 a-Alanine, conf. I
585852.5745 2.0560 -5.2562 3 1228.6979705 89502 303B71998 B62097 a-Alanine, conf. I
585852.5745 2.0560 -5.2562 3 1228.6979705 89502 303B72098 B61997 a-Alanine, conf. I
585867.3628 0.7011 -4.6489 3 679.4065489 89502 303813448 803347 a-Alanine, conf. I
585929.0294 2.1091 -5.3023 3 1190.1301675 89502 303B22686 B12785 a-Alanine, conf. I
585929.0294 2.1091 -5.3023 3 1190.1301675 89502 303B22786 B12685 a-Alanine, conf. I
585999.7801 4.5067 -4.8442 3 702.0543501 89502 303833251 823152 a-Alanine, conf. I
586008.1593 0.7093 -4.6487 3 679.4028489 89502 303813447 803348 a-Alanine, conf. I
586041.4034 2.7385 -5.2059 3 1275.0517759 89502 303C6 7B9 C5 8B8 a-Alanine, conf. I
586041.4034 2.7385 -5.2059 3 1275.0517759 89502 303C6 8B9 C5 7B8 a-Alanine, conf. I
586057.8091 4.1374 -5.1864 3 1288.5956783 89502 303D0 2C8 C9 3C7 a-Alanine, conf. I
586057.8091 4.1374 -5.1864 3 1288.5956783 89502 303D0 3C8 C9 2C7 a-Alanine, conf. I
586113.6893 0.4249 -5.2573 3 578.7860411 89502 303684721 674621 a-Alanine, conf. I
586113.6893 0.4249 -4.1696 3 578.7860411 89502 303684721 674622 a-Alanine, conf. I
586113.6893 0.4249 -4.1696 3 578.7860411 89502 303684722 674621 a-Alanine, conf. I
586113.6893 0.4249 -5.2573 3 578.7860411 89502 303684722 674622 a-Alanine, conf. I
586240.0860 0.4394 -5.1881 3 559.6783369 89502 3036155 6 6054 6 a-Alanine, conf. I
586240.0860 0.4394 -4.0395 3 559.6783369 89502 3036155 6 6054 7 a-Alanine, conf. I
586240.0860 0.4394 -4.0395 3 559.6783369 89502 3036155 7 6054 6 a-Alanine, conf. I
586240.0860 0.4394 -5.1881 3 559.6783369 89502 3036155 7 6054 7 a-Alanine, conf. I
586267.0425 2.0281 -5.2400 3 1248.0788723 89502 303C015A5 B916A4 a-Alanine, conf. I
586267.0425 2.0281 -5.2400 3 1248.0788723 89502 303C016A5 B915A4 a-Alanine, conf. I
586357.8899 2.1831 -5.2239 3 1263.5460741 89502 303C311B2 C212B1 a-Alanine, conf. I
586357.8899 2.1831 -5.2239 3 1263.5460741 89502 303C312B2 C211B1 a-Alanine, conf. I
586461.0919 3.5575 -4.9977 3 408.6323393 89502 303651946 641847 a-Alanine, conf. I
586494.1722 3.5420 -4.9976 3 408.6323393 89502 303652046 641747 a-Alanine, conf. I
586512.7492 2.1008 -5.2772 3 1216.4576693 89502 303B52293 B42392 a-Alanine, conf. I
586512.7492 2.1008 -5.2772 3 1216.4576693 89502 303B52393 B42292 a-Alanine, conf. I
586687.7905 0.4475 -5.2698 3 584.1435417 89502 303694623 684523 a-Alanine, conf. I
586687.7905 0.4475 -4.1927 3 584.1435417 89502 303694623 684524 a-Alanine, conf. I
586687.7905 0.4475 -4.1927 3 584.1435417 89502 303694624 684523 a-Alanine, conf. I
586687.7905 0.4475 -5.2698 3 584.1435417 89502 303694624 684524 a-Alanine, conf. I
586735.1303 23.9505 -5.2399 3 876.4768561 89502 303933460 923359 a-Alanine, conf. I
586764.0879 1.6101 -5.1791 3 338.7193369 89502 303611348 601249 a-Alanine, conf. I
586764.0883 1.6101 -5.1791 3 338.7193369 89502 303611448 601149 a-Alanine, conf. I
586817.8420 4.5258 -5.1880 3 1294.4227789 89502 303D1 1D0 D0 2C9 a-Alanine, conf. I
586817.8420 4.5258 -5.1880 3 1294.4227789 89502 303D1 2D0 D0 1C9 a-Alanine, conf. I
586827.6859 12.1195 -4.9920 3 770.1855525 89502 303873355 863254 a-Alanine, conf. I
586852.4966 2.1072 -5.3382 3 1172.4757663 89502 303B02981 A93080 a-Alanine, conf. I
586852.4989 2.1072 -5.3382 3 1172.4757663 89502 303B03081 A92980 a-Alanine, conf. I
586933.1694 0.4056 -5.1970 3 562.3794375 89502 3036254 8 6153 8 a-Alanine, conf. I
586933.1694 0.4056 -4.0549 3 562.3794375 89502 3036254 8 6153 9 a-Alanine, conf. I
586933.1694 0.4056 -4.0549 3 562.3794375 89502 3036254 9 6153 8 a-Alanine, conf. I
586933.1694 0.4056 -5.1970 3 562.3794375 89502 3036254 9 6153 9 a-Alanine, conf. I
586971.8356 2.9734 -5.2086 3 1282.1720765 89502 303C7 6C1 C6 7C0 a-Alanine, conf. I
586971.8356 2.9734 -5.2086 3 1282.1720765 89502 303C7 7C1 C6 6C0 a-Alanine, conf. I
587081.9882 2.0547 -5.2592 3 1238.7822711 89502 303B818A0 B71999 a-Alanine, conf. I
587081.9882 2.0547 -5.2592 3 1238.7822711 89502 303B819A0 B71899 a-Alanine, conf. I
587161.4329 2.1233 -5.3017 3 1201.9708681 89502 303B32588 B22687 a-Alanine, conf. I
587161.4329 2.1233 -5.3017 3 1201.9708681 89502 303B32688 B22587 a-Alanine, conf. I
587229.8658 0.4713 -5.2828 3 589.8693423 89502 303704525 694425 a-Alanine, conf. I
587229.8658 0.4713 -4.2171 3 589.8693423 89502 303704525 694426 a-Alanine, conf. I
587229.8658 0.4713 -4.2171 3 589.8693423 89502 303704526 694425 a-Alanine, conf. I
587229.8658 0.4713 -5.2828 3 589.8693423 89502 303704526 694426 a-Alanine, conf. I
587387.9670 7.5663 -4.9828 3 472.4265417 89502 303692346 682247 a-Alanine, conf. I
587408.3158 2.2932 -5.2271 3 1271.6724747 89502 303C410B4 C311B3 a-Alanine, conf. I
587408.3158 2.2932 -5.2271 3 1271.6724747 89502 303C411B4 C310B3 a-Alanine, conf. I
587420.0021 2.0528 -5.2435 3 1257.1893729 89502 303C114A7 C015A6 a-Alanine, conf. I
587420.0021 2.0528 -5.2435 3 1257.1893729 89502 303C115A7 C014A6 a-Alanine, conf. I
587500.1061 0.7063 -4.5844 3 668.9779483 89502 303803546 793445 a-Alanine, conf. I
587508.6720 0.7086 -4.5844 3 668.9777483 89502 303803545 793446 a-Alanine, conf. I
587539.5513 4.9439 -5.1893 3 1299.9891795 89502 303D2 0D2 D1 1D1 a-Alanine, conf. I
587539.5513 4.9439 -5.1893 3 1299.9891795 89502 303D2 1D2 D1 0D1 a-Alanine, conf. I
587617.6915 0.3850 -5.2063 3 565.4291381 89502 303635310 625210 a-Alanine, conf. I
587617.6915 0.3850 -4.0711 3 565.4291381 89502 303635310 625211 a-Alanine, conf. I
587617.6915 0.3850 -4.0711 3 565.4291381 89502 303635311 625210 a-Alanine, conf. I
587617.6915 0.3850 -5.2063 3 565.4291381 89502 303635311 625211 a-Alanine, conf. I
587692.0638 12.8007 -5.0180 3 518.4819435 89502 303722547 712448 a-Alanine, conf. I
587732.9742 0.4962 -5.2963 3 595.9680429 89502 303714427 704327 a-Alanine, conf. I
587732.9742 0.4962 -4.2430 3 595.9680429 89502 303714427 704328 a-Alanine, conf. I
587732.9742 0.4962 -4.2430 3 595.9680429 89502 303714428 704327 a-Alanine, conf. I
587732.9742 0.4962 -5.2963 3 595.9680429 89502 303714428 704328 a-Alanine, conf. I
587771.6018 2.1032 -5.2794 3 1227.2870699 89502 303B62195 B52294 a-Alanine, conf. I
587771.6018 2.1032 -5.2794 3 1227.2870699 89502 303B62295 B52194 a-Alanine, conf. I
587867.6220 3.2416 -5.2111 3 1289.0441771 89502 303C8 5C3 C7 6C2 a-Alanine, conf. I
587867.6220 3.2416 -5.2111 3 1289.0441771 89502 303C8 6C3 C7 5C2 a-Alanine, conf. I
587961.6944 2.1255 -5.3333 3 1185.1432669 89502 303B12883 B02982 a-Alanine, conf. I
587961.6944 2.1255 -5.3333 3 1185.1432669 89502 303B12983 B02882 a-Alanine, conf. I
587971.8009 3.4973 -4.8212 3 721.6011507 89502 303843352 833251 a-Alanine, conf. I
588116.5155 1.2721 -5.2859 3 319.1019363 89502 303601149 591050 a-Alanine, conf. I
588116.5155 1.2721 -5.2859 3 319.1019363 89502 303601249 59 950 a-Alanine, conf. I
588188.3619 0.5221 -5.3103 3 602.4448435 89502 303724329 714229 a-Alanine, conf. I
588188.3619 0.5221 -4.2705 3 602.4448435 89502 303724329 714230 a-Alanine, conf. I
588188.3619 0.5221 -4.2705 3 602.4448435 89502 303724330 714229 a-Alanine, conf. I
588188.3619 0.5221 -5.3103 3 602.4448435 89502 303724330 714230 a-Alanine, conf. I
588287.3931 2.4100 -5.0689 3 373.4932381 89502 303631647 621548 a-Alanine, conf. I
588287.5469 2.4099 -5.0689 3 373.4932381 89502 303631747 621448 a-Alanine, conf. I
588292.1980 0.3765 -5.2161 3 568.8291387 89502 303645212 635112 a-Alanine, conf. I
588292.1980 0.3765 -4.0882 3 568.8291387 89502 303645212 635113 a-Alanine, conf. I
588292.1980 0.3765 -4.0882 3 568.8291387 89502 303645213 635112 a-Alanine, conf. I
588292.1980 0.3765 -5.2161 3 568.8291387 89502 303645213 635113 a-Alanine, conf. I
588294.1027 2.0556 -5.2625 3 1248.6332717 89502 303B917A2 B818A1 a-Alanine, conf. I
588294.1027 2.0556 -5.2625 3 1248.6332717 89502 303B918A2 B817A1 a-Alanine, conf. I
588411.4309 2.1348 -5.3022 3 1213.5634687 89502 303B42490 B32589 a-Alanine, conf. I
588411.4309 2.1348 -5.3022 3 1213.5634687 89502 303B42590 B32489 a-Alanine, conf. I
588427.9295 2.4339 -5.2304 3 1279.5582753 89502 303C5 9B6 C410B5 a-Alanine, conf. I
588427.9295 2.4339 -5.2304 3 1279.5582753 89502 303C510B6 C4 9B5 a-Alanine, conf. I
588438.0412 0.7031 -4.5299 3 659.0896477 89502 303793644 783543 a-Alanine, conf. I
588438.4564 0.7033 -4.5299 3 659.0896477 89502 303793643 783544 a-Alanine, conf. I
588518.6550 2.0929 -5.3945 3 1152.1670651 89502 303A83276 A73375 a-Alanine, conf. I
588526.7402 2.0907 -5.3945 3 1152.1668651 89502 303A83376 A73275 a-Alanine, conf. I
588527.7599 4.0972 -4.9867 3 424.3283399 89502 303662046 651947 a-Alanine, conf. I
588547.4754 2.0936 -5.2470 3 1266.0647735 89502 303C213A9 C114A8 a-Alanine, conf. I
588547.4754 2.0936 -5.2470 3 1266.0647735 89502 303C214A9 C113A8 a-Alanine, conf. I
588584.8605 0.5489 -5.3248 3 609.3059441 89502 303734231 724131 a-Alanine, conf. I
588584.8605 0.5489 -4.2996 3 609.3059441 89502 303734231 724132 a-Alanine, conf. I
588584.8605 0.5489 -4.2996 3 609.3059441 89502 303734232 724131 a-Alanine, conf. I
588584.8605 0.5489 -5.3248 3 609.3059441 89502 303734232 724132 a-Alanine, conf. I
588658.4132 4.0356 -4.9865 3 424.3282399 89502 303662146 651847 a-Alanine, conf. I
588727.8108 16.1940 -4.9812 3 664.1799489 89502 303813051 802952 a-Alanine, conf. I
588727.8838 3.5425 -5.2134 3 1295.6652777 89502 303C9 4C5 C8 5C4 a-Alanine, conf. I
588727.8838 3.5425 -5.2134 3 1295.6652777 89502 303C9 5C5 C8 4C4 a-Alanine, conf. I
588831.2928 1.1375 -4.7702 3 705.8341501 89502 303833350 823251 a-Alanine, conf. I
588908.0164 0.5767 -5.3398 3 616.5587447 89502 303744133 734033 a-Alanine, conf. I
588908.0164 0.5767 -4.3308 3 616.5587447 89502 303744133 734034 a-Alanine, conf. I
588908.0164 0.5767 -4.3308 3 616.5587447 89502 303744134 734033 a-Alanine, conf. I
588908.0164 0.5767 -5.3398 3 616.5587447 89502 303744134 734034 a-Alanine, conf. I
588954.9266 0.3785 -5.2264 3 572.5812393 89502 303655114 645014 a-Alanine, conf. I
588954.9266 0.3785 -4.1062 3 572.5812393 89502 303655114 645015 a-Alanine, conf. I
588954.9266 0.3785 -4.1062 3 572.5812393 89502 303655115 645014 a-Alanine, conf. I
588954.9266 0.3785 -5.2264 3 572.5812393 89502 303655115 645015 a-Alanine, conf. I
588965.3535 0.6863 -4.4821 3 649.6956471 89502 303783742 773641 a-Alanine, conf. I
588965.3564 0.6863 -5.4056 3 649.6956471 89502 303783741 773641 a-Alanine, conf. I
588965.3669 0.6863 -5.4056 3 649.6956471 89502 303783742 773642 a-Alanine, conf. I
588965.3698 0.6863 -4.4821 3 649.6956471 89502 303783741 773642 a-Alanine, conf. I
589007.4947 8.5122 -4.9302 3 753.7240519 89502 303863354 853253 a-Alanine, conf. I
589022.8326 2.1032 -5.2820 3 1237.8807705 89502 303B72097 B62196 a-Alanine, conf. I
589022.8326 2.1032 -5.2820 3 1237.8807705 89502 303B72197 B62096 a-Alanine, conf. I
589131.1751 2.1430 -5.3304 3 1197.5394675 89502 303B22785 B12884 a-Alanine, conf. I
589131.1751 2.1430 -5.3304 3 1197.5394675 89502 303B22885 B12784 a-Alanine, conf. I
589138.7905 0.6053 -5.3554 3 624.2119453 89502 303754035 743935 a-Alanine, conf. I
589138.7905 0.6053 -4.3642 3 624.2119453 89502 303754035 743936 a-Alanine, conf. I
589138.7905 0.6053 -4.3642 3 624.2119453 89502 303754036 743935 a-Alanine, conf. I
589138.7905 0.6053 -5.3554 3 624.2119453 89502 303754036 743936 a-Alanine, conf. I
589148.6646 25.1603 -5.3780 3 970.8134591 89502 303983564 973463 a-Alanine, conf. I
589210.7508 0.6619 -5.3882 3 640.7652465 89502 303773839 763739 a-Alanine, conf. I
589210.7508 0.6619 -4.4392 3 640.7652465 89502 303773840 763739 a-Alanine, conf. I
589210.7512 0.6619 -5.3882 3 640.7652465 89502 303773840 763740 a-Alanine, conf. I
589210.7513 0.6619 -4.4392 3 640.7652465 89502 303773839 763740 a-Alanine, conf. I
589251.5422 0.6341 -5.3715 3 632.2763459 89502 303763937 753837 a-Alanine, conf. I
589251.5422 0.6341 -4.4001 3 632.2763459 89502 303763937 753838 a-Alanine, conf. I
589251.5422 0.6341 -4.4001 3 632.2763459 89502 303763938 753837 a-Alanine, conf. I
589251.5422 0.6341 -5.3715 3 632.2763459 89502 303763938 753838 a-Alanine, conf. I
589265.4346 5.5867 -4.8730 3 737.5325513 89502 303853353 843252 a-Alanine, conf. I
589266.2803 2.1179 -5.3798 3 1165.7780657 89502 303A93178 A83277 a-Alanine, conf. I
589266.7614 2.1178 -5.3798 3 1165.7779657 89502 303A93278 A83177 a-Alanine, conf. I
589415.5806 2.6070 -5.2335 3 1287.2014759 89502 303C6 8B8 C5 9B7 a-Alanine, conf. I
589415.5806 2.6070 -5.2335 3 1287.2014759 89502 303C6 9B8 C5 8B7 a-Alanine, conf. I
589486.3226 2.0614 -5.2660 3 1258.2509723 89502 303C016A4 B917A3 a-Alanine, conf. I
589486.3226 2.0614 -5.2660 3 1258.2509723 89502 303C017A4 B916A3 a-Alanine, conf. I
589511.6448 0.5959 -5.1774 3 564.1476357 89502 3035958 1 5857 1 a-Alanine, conf. I
589511.6448 0.5959 -4.0140 3 564.1476357 89502 3035958 1 5857 2 a-Alanine, conf. I
589511.6448 0.5959 -4.0140 3 564.1476357 89502 3035958 2 5857 1 a-Alanine, conf. I
589511.6448 0.5959 -5.1774 3 564.1476357 89502 3035958 2 5857 2 a-Alanine, conf. I
589551.7938 3.8754 -5.2156 3 1302.0329783 89502 303D0 3C7 C9 4C6 a-Alanine, conf. I
589551.7938 3.8754 -5.2156 3 1302.0329783 89502 303D0 4C7 C9 3C6 a-Alanine, conf. I
589603.7382 0.3884 -5.2372 3 576.6876399 89502 303665016 654916 a-Alanine, conf. I
589603.7382 0.3884 -4.1253 3 576.6876399 89502 303665016 654917 a-Alanine, conf. I
589603.7382 0.3884 -4.1253 3 576.6876399 89502 303665017 654916 a-Alanine, conf. I
589603.7382 0.3884 -5.2372 3 576.6876399 89502 303665017 654917 a-Alanine, conf. I
589647.8299 2.1549 -5.2505 3 1274.7037741 89502 303C312B1 C213B0 a-Alanine, conf. I
589647.8299 2.1549 -5.2505 3 1274.7037741 89502 303C313B1 C212B0 a-Alanine, conf. I
589670.1322 2.1431 -5.3035 3 1224.9125693 89502 303B52392 B42491 a-Alanine, conf. I
589670.1322 2.1431 -5.3035 3 1224.9125693 89502 303B52492 B42391 a-Alanine, conf. I
589762.4095 5.8316 -4.9780 3 456.2334411 89502 303682246 672147 a-Alanine, conf. I
589791.3979 4.7965 -4.9798 3 440.1979405 89502 303672146 662047 a-Alanine, conf. I
589965.0999 7.0950 -5.3365 3 427.8538393 89502 303652640 642341 a-Alanine, conf. I
590172.2857 2.0885 -5.0286 3 492.0196423 89502 303702645 692346 a-Alanine, conf. I
590190.5267 2.1388 -5.3699 3 1179.0643663 89502 303B03080 A93179 a-Alanine, conf. I
590190.5513 2.1388 -5.3699 3 1179.0643663 89502 303B03180 A93079 a-Alanine, conf. I
590220.7706 0.5291 -5.1850 3 565.9951363 89502 3036057 3 5956 3 a-Alanine, conf. I
590220.7706 0.5291 -4.0272 3 565.9951363 89502 3036057 3 5956 4 a-Alanine, conf. I
590220.7706 0.5291 -4.0272 3 565.9951363 89502 3036057 4 5956 3 a-Alanine, conf. I
590220.7706 0.5291 -5.1850 3 565.9951363 89502 3036057 4 5956 4 a-Alanine, conf. I
590236.0302 0.4040 -5.2485 3 581.1505405 89502 303674918 664818 a-Alanine, conf. I
590236.0302 0.4040 -4.1454 3 581.1505405 89502 303674918 664819 a-Alanine, conf. I
590236.0302 0.4040 -4.1454 3 581.1505405 89502 303674919 664818 a-Alanine, conf. I
590236.0302 0.4040 -5.2485 3 581.1505405 89502 303674919 664819 a-Alanine, conf. I
590236.3831 0.7432 -4.6839 3 694.5511495 89502 303823449 813348 a-Alanine, conf. I
590262.4101 2.1017 -5.2851 3 1248.2399711 89502 303B81999 B72098 a-Alanine, conf. I
590262.4101 2.1017 -5.2851 3 1248.2399711 89502 303B82099 B71998 a-Alanine, conf. I
590268.8887 4.5714 -4.9793 3 440.1973405 89502 303672246 661947 a-Alanine, conf. I
590338.5703 4.2395 -5.2175 3 1308.1444789 89502 303D1 2C9 D0 3C8 a-Alanine, conf. I
590338.5703 4.2395 -5.2175 3 1308.1444789 89502 303D1 3C9 D0 2C8 a-Alanine, conf. I
590341.2353 2.1590 -5.3291 3 1209.6746681 89502 303B32687 B22786 a-Alanine, conf. I
590341.2353 2.1590 -5.3291 3 1209.6746681 89502 303B32787 B22686 a-Alanine, conf. I
590370.2048 2.8136 -5.2365 3 1294.5999765 89502 303C7 7C0 C6 8B9 a-Alanine, conf. I
590370.2048 2.8136 -5.2365 3 1294.5999765 89502 303C7 8C0 C6 7B9 a-Alanine, conf. I
590518.7752 0.7317 -4.6835 3 694.5438495 89502 303823448 813349 a-Alanine, conf. I
590656.3817 2.0757 -5.2696 3 1267.6346729 89502 303C115A6 C016A5 a-Alanine, conf. I
590656.3817 2.0757 -5.2696 3 1267.6346729 89502 303C116A6 C015A5 a-Alanine, conf. I
590719.5910 2.2409 -5.2540 3 1283.1048747 89502 303C411B3 C312B2 a-Alanine, conf. I
590719.5910 2.2409 -5.2540 3 1283.1048747 89502 303C412B3 C311B2 a-Alanine, conf. I
590848.6260 0.4235 -5.2602 3 585.9726411 89502 303684820 674720 a-Alanine, conf. I
590848.6260 0.4235 -4.1666 3 585.9726411 89502 303684820 674721 a-Alanine, conf. I
590848.6260 0.4235 -4.1666 3 585.9726411 89502 303684821 674720 a-Alanine, conf. I
590848.6260 0.4235 -5.2602 3 585.9726411 89502 303684821 674721 a-Alanine, conf. I
590923.9377 0.4746 -5.1931 3 568.1877369 89502 3036156 5 6055 5 a-Alanine, conf. I
590923.9377 0.4746 -4.0412 3 568.1877369 89502 3036156 5 6055 6 a-Alanine, conf. I
590923.9377 0.4746 -4.0412 3 568.1877369 89502 3036156 6 6055 5 a-Alanine, conf. I
590923.9377 0.4746 -5.1931 3 568.1877369 89502 3036156 6 6055 6 a-Alanine, conf. I
590930.5162 2.1482 -5.3054 3 1236.0215699 89502 303B62294 B52393 a-Alanine, conf. I
590930.5162 2.1482 -5.3054 3 1236.0215699 89502 303B62394 B52293 a-Alanine, conf. I
591087.4728 4.6341 -5.2192 3 1313.9968795 89502 303D2 1D1 D1 2D0 a-Alanine, conf. I
591087.4728 4.6341 -5.2192 3 1313.9968795 89502 303D2 2D1 D1 1D0 a-Alanine, conf. I
591174.8878 1.8584 -5.1420 3 353.7737375 89502 303621448 611349 a-Alanine, conf. I
591174.8899 1.8584 -5.1420 3 353.7737375 89502 303621548 611249 a-Alanine, conf. I
591233.7568 2.1580 -5.3634 3 1192.0510669 89502 303B12982 B03081 a-Alanine, conf. I
591233.7579 2.1580 -5.3634 3 1192.0510669 89502 303B13082 B02981 a-Alanine, conf. I
591290.8117 3.0539 -5.2394 3 1301.7513771 89502 303C8 6C2 C7 7C1 a-Alanine, conf. I
591290.8117 3.0539 -5.2394 3 1301.7513771 89502 303C8 7C2 C7 6C1 a-Alanine, conf. I
591365.3465 5.0879 -4.9762 3 456.2312411 89502 303682346 672047 a-Alanine, conf. I
591437.6315 0.4454 -5.2725 3 591.1572417 89502 303694722 684622 a-Alanine, conf. I
591437.6315 0.4454 -4.1890 3 591.1572417 89502 303694722 684623 a-Alanine, conf. I
591437.6315 0.4454 -4.1890 3 591.1572417 89502 303694723 684622 a-Alanine, conf. I
591437.6315 0.4454 -5.2725 3 591.1572417 89502 303694723 684623 a-Alanine, conf. I
591486.9312 2.1005 -5.2884 3 1258.3651717 89502 303B918A1 B819A0 a-Alanine, conf. I
591486.9312 2.1005 -5.2884 3 1258.3651717 89502 303B919A1 B818A0 a-Alanine, conf. I
591577.5016 2.1728 -5.3290 3 1221.5564687 89502 303B42589 B32688 a-Alanine, conf. I
591577.5016 2.1728 -5.3290 3 1221.5564687 89502 303B42689 B32588 a-Alanine, conf. I
591620.2637 0.4331 -5.2016 3 570.7266375 89502 3036255 7 6154 7 a-Alanine, conf. I
591620.2637 0.4331 -4.0560 3 570.7266375 89502 3036255 7 6154 8 a-Alanine, conf. I
591620.2637 0.4331 -4.0560 3 570.7266375 89502 3036255 8 6154 7 a-Alanine, conf. I
591620.2637 0.4331 -5.2016 3 570.7266375 89502 3036255 8 6154 8 a-Alanine, conf. I
591761.4164 2.3551 -5.2575 3 1291.2662753 89502 303C510B5 C411B4 a-Alanine, conf. I
591761.4164 2.3551 -5.2575 3 1291.2662753 89502 303C511B5 C410B4 a-Alanine, conf. I
591797.7971 5.0585 -5.2207 3 1319.5873801 89502 303D3 0D3 D2 1D2 a-Alanine, conf. I
591797.7971 5.0585 -5.2207 3 1319.5873801 89502 303D3 1D3 D2 0D2 a-Alanine, conf. I
591802.2805 2.1023 -5.2733 3 1276.7835735 89502 303C214A8 C115A7 a-Alanine, conf. I
591802.2805 2.1023 -5.2733 3 1276.7835735 89502 303C215A8 C114A7 a-Alanine, conf. I
591846.8181 2.7613 -5.0461 3 388.8904387 89502 303641747 631648 a-Alanine, conf. I
591847.5945 2.7609 -5.0461 3 388.8904387 89502 303641847 631548 a-Alanine, conf. I
591998.2471 0.4690 -5.2853 3 596.7076423 89502 303704624 694524 a-Alanine, conf. I
591998.2471 0.4690 -4.2126 3 596.7076423 89502 303704624 694525 a-Alanine, conf. I
591998.2471 0.4690 -4.2126 3 596.7076423 89502 303704625 694524 a-Alanine, conf. I
591998.2471 0.4690 -5.2853 3 596.7076423 89502 303704625 694525 a-Alanine, conf. I
592176.4761 3.3277 -5.2421 3 1308.6532777 89502 303C9 5C4 C8 6C3 a-Alanine, conf. I
592176.4761 3.3277 -5.2421 3 1308.6532777 89502 303C9 6C4 C8 5C3 a-Alanine, conf. I
592186.9219 2.1501 -5.3080 3 1246.8929705 89502 303B72196 B62295 a-Alanine, conf. I
592186.9219 2.1501 -5.3080 3 1246.8929705 89502 303B72296 B62195 a-Alanine, conf. I
592189.4616 0.7227 -4.6157 3 683.8626489 89502 303813547 803446 a-Alanine, conf. I
592207.8773 0.7269 -4.6157 3 683.8621489 89502 303813546 803447 a-Alanine, conf. I
592257.4014 5.4071 -4.9784 3 472.4184417 89502 303692446 682147 a-Alanine, conf. I
592308.6813 0.4050 -5.2107 3 573.6133381 89502 3036354 9 6253 9 a-Alanine, conf. I
592308.6813 0.4050 -4.0717 3 573.6133381 89502 3036354 9 625310 a-Alanine, conf. I
592308.6813 0.4050 -4.0717 3 573.6133381 89502 303635410 6253 9 a-Alanine, conf. I
592308.6813 0.4050 -5.2107 3 573.6133381 89502 303635410 625310 a-Alanine, conf. I
592357.8699 2.1763 -5.3593 3 1204.7554675 89502 303B22884 B12983 a-Alanine, conf. I
592357.8700 2.1763 -5.3593 3 1204.7554675 89502 303B22984 B12883 a-Alanine, conf. I
592524.5179 0.4937 -5.2986 3 602.6279429 89502 303714526 704426 a-Alanine, conf. I
592524.5179 0.4937 -4.2376 3 602.6279429 89502 303714526 704427 a-Alanine, conf. I
592524.5179 0.4937 -4.2376 3 602.6279429 89502 303714527 704426 a-Alanine, conf. I
592524.5179 0.4937 -5.2986 3 602.6279429 89502 303714527 704427 a-Alanine, conf. I
592693.4847 2.1018 -5.2920 3 1268.2566723 89502 303C017A3 B918A2 a-Alanine, conf. I
592693.4847 2.1018 -5.2920 3 1268.2566723 89502 303C018A3 B917A2 a-Alanine, conf. I
592772.0769 2.5003 -5.2610 3 1299.1860759 89502 303C6 9B7 C510B6 a-Alanine, conf. I
592772.0769 2.5003 -5.2610 3 1299.1860759 89502 303C610B7 C5 9B6 a-Alanine, conf. I
592829.1312 2.1839 -5.3300 3 1233.1907693 89502 303B52491 B42590 a-Alanine, conf. I
592829.1312 2.1839 -5.3300 3 1233.1907693 89502 303B52591 B42490 a-Alanine, conf. I
592922.2385 2.1457 -5.2771 3 1285.6965741 89502 303C313B0 C214A9 a-Alanine, conf. I
592922.2385 2.1457 -5.2771 3 1285.6965741 89502 303C314B0 C213A9 a-Alanine, conf. I
592946.1287 1.4416 -5.2358 3 333.9952369 89502 303611249 601150 a-Alanine, conf. I
592946.1287 1.4416 -5.2358 3 333.9952369 89502 303611349 601050 a-Alanine, conf. I
592975.3013 15.4001 -5.0406 3 549.0231447 89502 303742648 732549 a-Alanine, conf. I
592987.9004 0.3899 -5.2203 3 576.8493387 89502 303645311 635211 a-Alanine, conf. I
592987.9004 0.3899 -4.0883 3 576.8493387 89502 303645311 635212 a-Alanine, conf. I
592987.9004 0.3899 -4.0883 3 576.8493387 89502 303645312 635211 a-Alanine, conf. I
592987.9004 0.3899 -5.2203 3 576.8493387 89502 303645312 635212 a-Alanine, conf. I
593008.9941 0.5193 -5.3124 3 608.9229435 89502 303724428 714328 a-Alanine, conf. I
593008.9941 0.5193 -4.2640 3 608.9229435 89502 303724428 714329 a-Alanine, conf. I
593008.9941 0.5193 -4.2640 3 608.9229435 89502 303724429 714328 a-Alanine, conf. I
593008.9941 0.5193 -5.3124 3 608.9229435 89502 303724429 714329 a-Alanine, conf. I
593026.3297 3.6343 -5.2446 3 1315.3031783 89502 303D0 4C6 C9 5C5 a-Alanine, conf. I
593026.3297 3.6343 -5.2446 3 1315.3031783 89502 303D0 5C6 C9 4C5 a-Alanine, conf. I
593291.4726 0.7247 -4.5588 3 673.7330483 89502 303803645 793544 a-Alanine, conf. I
593292.4242 0.7250 -4.5588 3 673.7330483 89502 303803644 793545 a-Alanine, conf. I
593434.6994 2.1497 -5.3110 3 1257.5284711 89502 303B82098 B72197 a-Alanine, conf. I
593434.6994 2.1497 -5.3110 3 1257.5284711 89502 303B82198 B72097 a-Alanine, conf. I
593442.2625 0.5460 -5.3267 3 615.5982441 89502 303734330 724230 a-Alanine, conf. I
593442.2625 0.5460 -4.2921 3 615.5982441 89502 303734330 724231 a-Alanine, conf. I
593442.2625 0.5460 -4.2921 3 615.5982441 89502 303734331 724230 a-Alanine, conf. I
593442.2625 0.5460 -5.3267 3 615.5982441 89502 303734331 724231 a-Alanine, conf. I
593537.1079 2.1937 -5.3571 3 1217.1907681 89502 303B32786 B22885 a-Alanine, conf. I
593537.1079 2.1937 -5.3571 3 1217.1907681 89502 303B32886 B22785 a-Alanine, conf. I
593598.8686 2.1698 -5.4034 3 1185.4338663 89502 303B03179 A93278 a-Alanine, conf. I
593599.1072 2.1698 -5.4034 3 1185.4338663 89502 303B03279 A93178 a-Alanine, conf. I
593656.3611 0.3863 -5.2304 3 580.4363393 89502 303655213 645113 a-Alanine, conf. I
593656.3611 0.3863 -4.1058 3 580.4363393 89502 303655213 645114 a-Alanine, conf. I
593656.3611 0.3863 -4.1058 3 580.4363393 89502 303655214 645113 a-Alanine, conf. I
593656.3611 0.3863 -5.2304 3 580.4363393 89502 303655214 645114 a-Alanine, conf. I
593750.4397 2.6784 -5.2643 3 1306.8622765 89502 303C7 8B9 C6 9B8 a-Alanine, conf. I
593750.4397 2.6784 -5.2643 3 1306.8622765 89502 303C7 9B9 C6 8B8 a-Alanine, conf. I
593812.2813 0.5736 -5.3415 3 622.6601447 89502 303744232 734132 a-Alanine, conf. I
593812.2813 0.5736 -4.3219 3 622.6601447 89502 303744232 734133 a-Alanine, conf. I
593812.2813 0.5736 -4.3219 3 622.6601447 89502 303744233 734132 a-Alanine, conf. I
593812.2813 0.5736 -5.3415 3 622.6601447 89502 303744233 734133 a-Alanine, conf. I
593836.1928 5.1532 -4.9892 3 488.7410423 89502 303702546 692247 a-Alanine, conf. I
593839.5547 3.9731 -5.2469 3 1321.6982789 89502 303D1 3C8 D0 4C7 a-Alanine, conf. I
593839.5547 3.9731 -5.2469 3 1321.6982789 89502 303D1 4C8 D0 3C7 a-Alanine, conf. I
593860.3802 1.8328 -4.8143 3 721.4551507 89502 303843351 833252 a-Alanine, conf. I
593875.9440 1.2035 -5.3573 3 314.1856363 89502 303601050 59 951 a-Alanine, conf. I
593875.9440 1.2035 -5.3573 3 314.1856363 89502 303601150 59 851 a-Alanine, conf. I
593879.5496 2.1085 -5.2957 3 1277.9140729 89502 303C116A5 C017A4 a-Alanine, conf. I
593879.5496 2.1085 -5.2957 3 1277.9140729 89502 303C117A5 C016A4 a-Alanine, conf. I
593929.4511 0.7110 -4.5093 3 664.1089477 89502 303793743 783642 a-Alanine, conf. I
593929.4909 0.7110 -4.5093 3 664.1089477 89502 303793742 783643 a-Alanine, conf. I
593954.1832 7.3889 -4.9021 3 717.7204507 89502 303843252 833153 a-Alanine, conf. I
594014.6569 2.2101 -5.2809 3 1294.3722747 89502 303C412B2 C313B1 a-Alanine, conf. I
594014.6569 2.2101 -5.2809 3 1294.3722747 89502 303C413B2 C312B1 a-Alanine, conf. I
594087.7145 2.1917 -5.3317 3 1244.5818699 89502 303B62393 B52492 a-Alanine, conf. I
594087.7145 2.1917 -5.3317 3 1244.5818699 89502 303B62493 B52392 a-Alanine, conf. I
594103.4117 0.6022 -5.3569 3 630.1164453 89502 303754134 744034 a-Alanine, conf. I
594103.4117 0.6022 -4.3538 3 630.1164453 89502 303754134 744035 a-Alanine, conf. I
594103.4117 0.6022 -4.3538 3 630.1164453 89502 303754135 744034 a-Alanine, conf. I
594103.4117 0.6022 -5.3569 3 630.1164453 89502 303754135 744035 a-Alanine, conf. I
594189.1495 0.6503 -5.1832 3 573.1371357 89502 3035959 0 5858 0 a-Alanine, conf. I
594189.1495 0.6503 -4.0171 3 573.1371357 89502 3035959 0 5858 1 a-Alanine, conf. I
594189.1495 0.6503 -4.0171 3 573.1371357 89502 3035959 1 5858 0 a-Alanine, conf. I
594189.1495 0.6503 -5.1832 3 573.1371357 89502 3035959 1 5858 1 a-Alanine, conf. I
594225.6919 21.8716 -5.1922 3 858.6911555 89502 303923459 913358 a-Alanine, conf. I
594256.0185 0.6881 -4.4651 3 654.9565471 89502 303783841 773740 a-Alanine, conf. I
594256.0198 0.6881 -4.4651 3 654.9565471 89502 303783840 773741 a-Alanine, conf. I
594294.9583 0.6315 -5.3728 3 637.9765459 89502 303764036 753936 a-Alanine, conf. I
594294.9583 0.6315 -4.3880 3 637.9765459 89502 303764036 753937 a-Alanine, conf. I
594294.9583 0.6315 -4.3880 3 637.9765459 89502 303764037 753936 a-Alanine, conf. I
594294.9583 0.6315 -5.3728 3 637.9765459 89502 303764037 753937 a-Alanine, conf. I
594312.1752 0.3921 -5.2409 3 584.3762399 89502 303665115 655015 a-Alanine, conf. I
594312.1752 0.3921 -4.1243 3 584.3762399 89502 303665115 655016 a-Alanine, conf. I
594312.1752 0.3921 -4.1243 3 584.3762399 89502 303665116 655015 a-Alanine, conf. I
594312.1752 0.3921 -5.2409 3 584.3762399 89502 303665116 655016 a-Alanine, conf. I
594358.8806 0.6606 -5.3893 3 646.2518465 89502 303773938 763838 a-Alanine, conf. I
594358.8806 0.6606 -4.4249 3 646.2518465 89502 303773938 763839 a-Alanine, conf. I
594358.8806 0.6606 -4.4249 3 646.2518465 89502 303773939 763838 a-Alanine, conf. I
594358.8806 0.6606 -5.3893 3 646.2518465 89502 303773939 763839 a-Alanine, conf. I
594435.6066 0.8492 -4.7206 3 709.9061501 89502 303833450 823349 a-Alanine, conf. I
594553.9543 2.1904 -5.3947 3 1198.7510669 89502 303B13081 B03180 a-Alanine, conf. I
594553.9661 2.1904 -5.3947 3 1198.7510669 89502 303B13181 B03080 a-Alanine, conf. I
594615.3781 4.3433 -5.2490 3 1327.8360795 89502 303D2 2D0 D1 3C9 a-Alanine, conf. I
594615.3781 4.3433 -5.2490 3 1327.8360795 89502 303D2 3D0 D1 2C9 a-Alanine, conf. I
594669.9667 2.1481 -5.3144 3 1267.9289717 89502 303B919A0 B82099 a-Alanine, conf. I
594669.9667 2.1481 -5.3144 3 1267.9289717 89502 303B920A0 B81999 a-Alanine, conf. I
594695.4555 2.8901 -5.2675 3 1314.2925771 89502 303C8 7C1 C7 8C0 a-Alanine, conf. I
594695.4555 2.8901 -5.2675 3 1314.2925771 89502 303C8 8C1 C7 7C0 a-Alanine, conf. I
594753.2339 2.2095 -5.3564 3 1229.3662687 89502 303B42688 B32787 a-Alanine, conf. I
594753.2339 2.2095 -5.3564 3 1229.3662687 89502 303B42788 B32687 a-Alanine, conf. I
594900.4281 0.5765 -5.1906 3 574.8242363 89502 3036058 2 5957 2 a-Alanine, conf. I
594900.4281 0.5765 -4.0298 3 574.8242363 89502 3036058 2 5957 3 a-Alanine, conf. I
594900.4281 0.5765 -4.0298 3 574.8242363 89502 3036058 3 5957 2 a-Alanine, conf. I
594900.4281 0.5765 -5.1906 3 574.8242363 89502 3036058 3 5957 3 a-Alanine, conf. I
594953.0532 0.4049 -5.2520 3 588.6712405 89502 303675017 664917 a-Alanine, conf. I
594953.0532 0.4049 -4.1438 3 588.6712405 89502 303675017 664918 a-Alanine, conf. I
594953.0532 0.4049 -4.1438 3 588.6712405 89502 303675018 664917 a-Alanine, conf. I
594953.0532 0.4049 -5.2520 3 588.6712405 89502 303675018 664918 a-Alanine, conf. I
594989.8347 0.7603 -4.7199 3 709.8919501 89502 303833449 823350 a-Alanine, conf. I
595042.9185 2.1242 -5.2996 3 1287.3368735 89502 303C215A7 C116A6 a-Alanine, conf. I
595042.9185 2.1242 -5.2996 3 1287.3368735 89502 303C216A7 C115A6 a-Alanine, conf. I
595056.7642 3.1552 -5.0275 3 404.4793393 89502 303651847 641748 a-Alanine, conf. I
595060.4171 3.1534 -5.0275 3 404.4793393 89502 303651947 641648 a-Alanine, conf. I
595078.0886 2.2998 -5.2846 3 1302.8091753 89502 303C511B4 C412B3 a-Alanine, conf. I
595078.0886 2.2998 -5.2846 3 1302.8091753 89502 303C512B4 C411B3 a-Alanine, conf. I
595346.5734 2.1962 -5.3341 3 1255.7329705 89502 303B72295 B62394 a-Alanine, conf. I
595346.5734 2.1962 -5.3341 3 1255.7329705 89502 303B72395 B62294 a-Alanine, conf. I
595353.0669 4.7441 -5.2509 3 1333.7134801 89502 303D3 1D2 D2 2D1 a-Alanine, conf. I
595353.0669 4.7441 -5.2509 3 1333.7134801 89502 303D3 2D2 D2 1D1 a-Alanine, conf. I
595357.2002 2.1411 -5.1104 3 369.0314381 89502 303631548 621449 a-Alanine, conf. I
595357.2124 2.1411 -5.1104 3 369.0314381 89502 303631648 621349 a-Alanine, conf. I
595414.3701 14.0493 -4.9710 3 698.4594501 89502 303833152 823053 a-Alanine, conf. I
595576.2108 0.4227 -5.2636 3 593.3237411 89502 303684919 674819 a-Alanine, conf. I
595576.2108 0.4227 -4.1643 3 593.3237411 89502 303684919 674820 a-Alanine, conf. I
595576.2108 0.4227 -4.1643 3 593.3237411 89502 303684920 674819 a-Alanine, conf. I
595576.2108 0.4227 -5.2636 3 593.3237411 89502 303684920 674820 a-Alanine, conf. I
595606.1038 0.5145 -5.1984 3 576.8559369 89502 3036157 4 6056 4 a-Alanine, conf. I
595606.1038 0.5145 -4.0434 3 576.8559369 89502 3036157 4 6056 5 a-Alanine, conf. I
595606.1038 0.5145 -4.0434 3 576.8559369 89502 3036157 5 6056 4 a-Alanine, conf. I
595606.1038 0.5145 -5.1984 3 576.8559369 89502 3036157 5 6056 5 a-Alanine, conf. I
595606.1474 3.1359 -5.2705 3 1321.4747777 89502 303C9 6C3 C8 7C2 a-Alanine, conf. I
595606.1474 3.1359 -5.2705 3 1321.4747777 89502 303C9 7C3 C8 6C2 a-Alanine, conf. I
595617.6216 2.2095 -5.3891 3 1211.7724675 89502 303B22983 B13082 a-Alanine, conf. I
595617.6221 2.2095 -5.3891 3 1211.7724675 89502 303B23083 B12982 a-Alanine, conf. I
595889.4355 2.1469 -5.3180 3 1278.0950723 89502 303C018A2 B919A1 a-Alanine, conf. I
595889.4355 2.1469 -5.3180 3 1278.0950723 89502 303C019A2 B918A1 a-Alanine, conf. I
595992.8214 2.2230 -5.3568 3 1241.2893693 89502 303B52590 B42689 a-Alanine, conf. I
595992.8214 2.2230 -5.3568 3 1241.2893693 89502 303B52690 B42589 a-Alanine, conf. I
596051.9239 5.1749 -5.2525 3 1339.3276807 89502 303D4 0D4 D3 1D3 a-Alanine, conf. I
596051.9239 5.1749 -5.2525 3 1339.3276807 89502 303D4 1D4 D3 0D3 a-Alanine, conf. I
596111.2148 2.4183 -5.2883 3 1311.0052759 89502 303C610B6 C511B5 a-Alanine, conf. I
596111.2148 2.4183 -5.2883 3 1311.0052759 89502 303C611B6 C510B5 a-Alanine, conf. I
596178.2500 0.4437 -5.2756 3 598.3367417 89502 303694821 684721 a-Alanine, conf. I
596178.2500 0.4437 -4.1860 3 598.3367417 89502 303694821 684722 a-Alanine, conf. I
596178.2500 0.4437 -4.1860 3 598.3367417 89502 303694822 684721 a-Alanine, conf. I
596178.2500 0.4437 -5.2756 3 598.3367417 89502 303694822 684722 a-Alanine, conf. I
596181.6399 2.1528 -5.3036 3 1296.5239741 89502 303C314A9 C215A8 a-Alanine, conf. I
596181.6399 2.1528 -5.3036 3 1296.5239741 89502 303C315A9 C214A8 a-Alanine, conf. I
596305.3896 0.4653 -5.2067 3 579.2332375 89502 3036256 6 6155 6 a-Alanine, conf. I
596305.3896 0.4653 -4.0578 3 579.2332375 89502 3036256 6 6155 7 a-Alanine, conf. I
596305.3896 0.4653 -4.0578 3 579.2332375 89502 3036256 7 6155 6 a-Alanine, conf. I
596305.3896 0.4653 -5.2067 3 579.2332375 89502 3036256 7 6155 7 a-Alanine, conf. I
596316.7927 27.1825 -5.3578 3 952.1299585 89502 303973563 963462 a-Alanine, conf. I
596481.6016 3.4152 -5.2734 3 1328.4061783 89502 303D0 5C5 C9 6C4 a-Alanine, conf. I
596481.6016 3.4152 -5.2734 3 1328.4061783 89502 303D0 6C5 C9 5C4 a-Alanine, conf. I
596600.2964 2.1977 -5.3370 3 1266.6461711 89502 303B82197 B72296 a-Alanine, conf. I
596600.2964 2.1977 -5.3370 3 1266.6461711 89502 303B82297 B72196 a-Alanine, conf. I
596755.0049 0.4667 -5.2882 3 603.7133423 89502 303704723 694623 a-Alanine, conf. I
596755.0049 0.4667 -4.2088 3 603.7133423 89502 303704723 694624 a-Alanine, conf. I
596755.0049 0.4667 -4.2088 3 603.7133423 89502 303704724 694623 a-Alanine, conf. I
596755.0049 0.4667 -5.2882 3 603.7133423 89502 303704724 694624 a-Alanine, conf. I
596755.3099 2.2279 -5.3858 3 1224.5144681 89502 303B32885 B22984 a-Alanine, conf. I
596755.3100 2.2279 -5.3858 3 1224.5144681 89502 303B32985 B22884 a-Alanine, conf. I
596810.7704 0.7385 -4.6481 3 698.9500495 89502 303823548 813447 a-Alanine, conf. I
596849.5863 0.7453 -4.6480 3 698.9489495 89502 303823547 813448 a-Alanine, conf. I
596911.2827 17.8116 -5.0582 3 580.3905459 89502 303762749 752650 a-Alanine, conf. I
596997.3353 0.4294 -5.2156 3 581.9574381 89502 3036355 8 6254 8 a-Alanine, conf. I
596997.3353 0.4294 -4.0730 3 581.9574381 89502 3036355 8 6254 9 a-Alanine, conf. I
596997.3353 0.4294 -4.0730 3 581.9574381 89502 3036355 9 6254 8 a-Alanine, conf. I
596997.3353 0.4294 -5.2156 3 581.9574381 89502 3036355 9 6254 9 a-Alanine, conf. I
597063.7863 9.4293 -5.0048 3 501.7234429 89502 303712447 702348 a-Alanine, conf. I
597090.2838 2.1487 -5.3219 3 1288.0267729 89502 303C117A4 C018A3 a-Alanine, conf. I
597090.2838 2.1487 -5.3219 3 1288.0267729 89502 303C118A4 C017A3 a-Alanine, conf. I
597112.8264 2.5681 -5.2919 3 1318.9588765 89502 303C7 9B8 C610B7 a-Alanine, conf. I
597112.8264 2.5681 -5.2919 3 1318.9588765 89502 303C710B8 C6 9B7 a-Alanine, conf. I
597245.6648 2.2336 -5.3583 3 1252.9654699 89502 303B62492 B52591 a-Alanine, conf. I
597245.6648 2.2336 -5.3583 3 1252.9654699 89502 303B62592 B52491 a-Alanine, conf. I
597293.9722 2.1988 -5.3076 3 1305.4743747 89502 303C413B1 C314B0 a-Alanine, conf. I
597293.9722 2.1988 -5.3076 3 1305.4743747 89502 303C414B1 C313B0 a-Alanine, conf. I
597301.3376 0.4912 -5.3013 3 609.4572429 89502 303714625 704525 a-Alanine, conf. I
597301.3376 0.4912 -4.2330 3 609.4572429 89502 303714625 704526 a-Alanine, conf. I
597301.3376 0.4912 -4.2330 3 609.4572429 89502 303714626 704525 a-Alanine, conf. I
597301.3376 0.4912 -5.3013 3 609.4572429 89502 303714626 704526 a-Alanine, conf. I
597320.9603 3.7277 -5.2761 3 1335.0843789 89502 303D1 4C7 D0 5C6 a-Alanine, conf. I
597320.9603 3.7277 -5.2761 3 1335.0843789 89502 303D1 5C7 D0 4C6 a-Alanine, conf. I
597593.2984 1.6532 -5.1929 3 349.0979375 89502 303621349 611250 a-Alanine, conf. I
597593.2986 1.6532 -5.1929 3 349.0979375 89502 303621449 611150 a-Alanine, conf. I
597680.7940 0.4070 -5.2249 3 585.0299387 89502 303645410 635310 a-Alanine, conf. I
597680.7940 0.4070 -4.0890 3 585.0299387 89502 303645410 635311 a-Alanine, conf. I
597680.7940 0.4070 -4.0890 3 585.0299387 89502 303645411 635310 a-Alanine, conf. I
597680.7940 0.4070 -5.2249 3 585.0299387 89502 303645411 635311 a-Alanine, conf. I
597810.8668 0.5167 -5.3149 3 615.5726435 89502 303724527 714427 a-Alanine, conf. I
597810.8668 0.5167 -4.2585 3 615.5726435 89502 303724527 714428 a-Alanine, conf. I
597810.8668 0.5167 -4.2585 3 615.5726435 89502 303724528 714427 a-Alanine, conf. I
597810.8668 0.5167 -5.3149 3 615.5726435 89502 303724528 714428 a-Alanine, conf. I
597844.4190 2.1969 -5.3404 3 1277.3232717 89502 303B92099 B82198 a-Alanine, conf. I
597844.4190 2.1969 -5.3404 3 1277.3232717 89502 303B92199 B82098 a-Alanine, conf. I
597854.4884 3.6020 -5.0128 3 420.2551399 89502 303661947 651848 a-Alanine, conf. I
597870.5044 3.5941 -5.0127 3 420.2550399 89502 303662047 651748 a-Alanine, conf. I
597943.3727 2.2452 -5.3843 3 1236.9889687 89502 303B42787 B32886 a-Alanine, conf. I
597943.3727 2.2452 -5.3843 3 1236.9889687 89502 303B42887 B32786 a-Alanine, conf. I
597969.7808 3.7162 -5.0178 3 505.1669429 89502 303712646 702347 a-Alanine, conf. I
598081.8074 2.7512 -5.2955 3 1326.6676771 89502 303C8 8C0 C7 9B9 a-Alanine, conf. I
598081.8074 2.7512 -5.2955 3 1326.6676771 89502 303C8 9C0 C7 8B9 a-Alanine, conf. I
598101.2026 0.7453 -4.5887 3 688.5748489 89502 303813646 803545 a-Alanine, conf. I
598103.3417 0.7460 -4.5887 3 688.5748489 89502 303813645 803546 a-Alanine, conf. I
598123.4149 4.0724 -5.2786 3 1341.5066795 89502 303D2 3C9 D1 4C8 a-Alanine, conf. I
598123.4149 4.0724 -5.2786 3 1341.5066795 89502 303D2 4C9 D1 3C8 a-Alanine, conf. I
598270.0612 2.1564 -5.3259 3 1297.7237735 89502 303C216A6 C117A5 a-Alanine, conf. I
598270.0612 2.1564 -5.3259 3 1297.7237735 89502 303C217A6 C116A5 a-Alanine, conf. I
598275.5973 0.5431 -5.3290 3 622.0646441 89502 303734429 724329 a-Alanine, conf. I
598275.5973 0.5431 -4.2855 3 622.0646441 89502 303734429 724330 a-Alanine, conf. I
598275.5973 0.5431 -4.2855 3 622.0646441 89502 303734430 724329 a-Alanine, conf. I
598275.5973 0.5431 -5.3290 3 622.0646441 89502 303734430 724330 a-Alanine, conf. I
598354.3816 0.3972 -5.2347 3 588.4524393 89502 303655312 645212 a-Alanine, conf. I
598354.3816 0.3972 -4.1060 3 588.4524393 89502 303655312 645213 a-Alanine, conf. I
598354.3816 0.3972 -4.1060 3 588.4524393 89502 303655313 645212 a-Alanine, conf. I
598354.3816 0.3972 -5.2347 3 588.4524393 89502 303655313 645213 a-Alanine, conf. I
598378.3488 2.2665 -5.3116 3 1314.1864753 89502 303C512B3 C413B2 a-Alanine, conf. I
598378.3488 2.2665 -5.3116 3 1314.1864753 89502 303C513B3 C412B2 a-Alanine, conf. I
598391.5060 1.1056 -4.7595 3 725.4754507 89502 303843451 833350 a-Alanine, conf. I
598503.7977 2.2409 -5.3604 3 1264.3984705 89502 303B72394 B62493 a-Alanine, conf. I
598503.7977 2.2409 -5.3604 3 1264.3984705 89502 303B72494 B62393 a-Alanine, conf. I
598685.4045 0.5706 -5.3436 3 628.9390447 89502 303744331 734231 a-Alanine, conf. I
598685.4045 0.5706 -4.3142 3 628.9390447 89502 303744331 734232 a-Alanine, conf. I
598685.4045 0.5706 -4.3142 3 628.9390447 89502 303744332 734231 a-Alanine, conf. I
598685.4045 0.5706 -5.3436 3 628.9390447 89502 303744332 734232 a-Alanine, conf. I
598861.1499 0.7354 -4.5373 3 678.7178483 89502 303803744 793643 a-Alanine, conf. I
598861.2450 0.7354 -4.5373 3 678.7178483 89502 303803743 793644 a-Alanine, conf. I
598888.2009 4.4487 -5.2808 3 1347.6702801 89502 303D3 2D1 D2 3D0 a-Alanine, conf. I
598888.2009 4.4487 -5.2808 3 1347.6702801 89502 303D3 3D1 D2 2D0 a-Alanine, conf. I
598889.1196 1.3208 -5.2992 3 329.1211369 89502 303611150 601051 a-Alanine, conf. I
598889.1196 1.3208 -5.2992 3 329.1211369 89502 303611250 60 951 a-Alanine, conf. I
599016.4272 0.3981 -5.2451 3 592.2267399 89502 303665214 655114 a-Alanine, conf. I
599016.4272 0.3981 -4.1239 3 592.2267399 89502 303665214 655115 a-Alanine, conf. I
599016.4272 0.3981 -4.1239 3 592.2267399 89502 303665215 655114 a-Alanine, conf. I
599016.4272 0.3981 -5.2451 3 592.2267399 89502 303665215 655115 a-Alanine, conf. I
599017.1236 2.9682 -5.2988 3 1334.1294777 89502 303C9 7C2 C8 8C1 a-Alanine, conf. I
599017.1236 2.9682 -5.2988 3 1334.1294777 89502 303C9 8C2 C8 7C1 a-Alanine, conf. I
599027.2994 0.5991 -5.3587 3 636.2025453 89502 303754233 744133 a-Alanine, conf. I
599027.2994 0.5991 -4.3448 3 636.2025453 89502 303754233 744134 a-Alanine, conf. I
599027.2994 0.5991 -4.3448 3 636.2025453 89502 303754234 744133 a-Alanine, conf. I
599027.2994 0.5991 -5.3587 3 636.2025453 89502 303754234 744134 a-Alanine, conf. I
599075.2002 2.1951 -5.3441 3 1287.7649723 89502 303C019A1 B920A0 a-Alanine, conf. I
599075.2002 2.1951 -5.3441 3 1287.7649723 89502 303C020A1 B919A0 a-Alanine, conf. I
599164.8878 2.2608 -5.3841 3 1249.2051693 89502 303B52689 B42788 a-Alanine, conf. I
599164.8878 2.2608 -5.3841 3 1249.2051693 89502 303B52789 B42688 a-Alanine, conf. I
599275.8992 0.7144 -4.4917 3 669.3414477 89502 303793842 783741 a-Alanine, conf. I
599275.9027 0.7144 -4.4917 3 669.3414477 89502 303793841 783742 a-Alanine, conf. I
599284.3488 0.6284 -5.3744 3 643.8634459 89502 303764135 754035 a-Alanine, conf. I
599284.3488 0.6284 -4.3774 3 643.8634459 89502 303764135 754036 a-Alanine, conf. I
599284.3488 0.6284 -4.3774 3 643.8634459 89502 303764136 754035 a-Alanine, conf. I
599284.3488 0.6284 -5.3744 3 643.8634459 89502 303764136 754036 a-Alanine, conf. I
599285.0707 2.4584 -5.0836 3 384.4893387 89502 303641648 631549 a-Alanine, conf. I
599285.1383 2.4584 -5.0836 3 384.4893387 89502 303641748 631449 a-Alanine, conf. I
599426.6171 2.1736 -5.3300 3 1307.1853741 89502 303C315A8 C216A7 a-Alanine, conf. I
599426.6171 2.1736 -5.3300 3 1307.1853741 89502 303C316A8 C215A7 a-Alanine, conf. I
599433.3495 2.3600 -5.3156 3 1322.6587759 89502 303C611B5 C512B4 a-Alanine, conf. I
599433.3495 2.3600 -5.3156 3 1322.6587759 89502 303C612B5 C511B4 a-Alanine, conf. I
599434.0329 0.6583 -5.3907 3 651.9316465 89502 303774037 763937 a-Alanine, conf. I
599434.0329 0.6583 -4.4124 3 651.9316465 89502 303774037 763938 a-Alanine, conf. I
599434.0329 0.6583 -4.4124 3 651.9316465 89502 303774038 763937 a-Alanine, conf. I
599434.0329 0.6583 -5.3907 3 651.9316465 89502 303774038 763938 a-Alanine, conf. I
599445.6389 0.6876 -4.4503 3 660.4192471 89502 303783940 773839 a-Alanine, conf. I
599445.6390 0.6876 -4.4503 3 660.4192471 89502 303783939 773840 a-Alanine, conf. I
599455.0348 0.8106 -4.7581 3 725.4483507 89502 303843450 833351 a-Alanine, conf. I
599495.6990 3.1570 -4.8623 3 737.2825513 89502 303853352 843253 a-Alanine, conf. I
599578.6946 0.6283 -5.1965 3 583.8116363 89502 3036059 1 5958 1 a-Alanine, conf. I
599578.6946 0.6283 -4.0330 3 583.8116363 89502 3036059 1 5958 2 a-Alanine, conf. I
599578.6946 0.6283 -4.0330 3 583.8116363 89502 3036059 2 5958 1 a-Alanine, conf. I
599578.6946 0.6283 -5.1965 3 583.8116363 89502 3036059 2 5958 2 a-Alanine, conf. I
599614.5928 4.8558 -5.2828 3 1353.5722807 89502 303D4 1D3 D3 2D2 a-Alanine, conf. I
599614.5928 4.8558 -5.2828 3 1353.5722807 89502 303D4 2D3 D3 1D2 a-Alanine, conf. I
599664.9101 0.4074 -5.2559 3 596.3546405 89502 303675116 665016 a-Alanine, conf. I
599664.9101 0.4074 -4.1428 3 596.3546405 89502 303675116 665017 a-Alanine, conf. I
599664.9101 0.4074 -4.1428 3 596.3546405 89502 303675117 665016 a-Alanine, conf. I
599664.9101 0.4074 -5.2559 3 596.3546405 89502 303675117 665017 a-Alanine, conf. I
599760.8598 2.2448 -5.3632 3 1275.5915711 89502 303B82296 B72395 a-Alanine, conf. I
599760.8598 2.2448 -5.3632 3 1275.5915711 89502 303B82396 B72295 a-Alanine, conf. I
599917.8107 3.2194 -5.3021 3 1341.3419783 89502 303D0 6C4 C9 7C3 a-Alanine, conf. I
599917.8107 3.2194 -5.3021 3 1341.3419783 89502 303D0 7C4 C9 6C3 a-Alanine, conf. I
599961.6194 19.6557 -5.0673 3 612.5831471 89502 303782850 772751 a-Alanine, conf. I
600145.9002 4.1227 -5.0018 3 436.2125405 89502 303672047 661948 a-Alanine, conf. I
600211.2737 4.0899 -5.0017 3 436.2125405 89502 303672147 661848 a-Alanine, conf. I
600286.6970 0.5590 -5.2041 3 585.6827369 89502 3036158 3 6057 3 a-Alanine, conf. I
600286.6970 0.5590 -4.0461 3 585.6827369 89502 3036158 3 6057 4 a-Alanine, conf. I
600286.6970 0.5590 -4.0461 3 585.6827369 89502 3036158 4 6057 3 a-Alanine, conf. I
600286.6970 0.5590 -5.2041 3 585.6827369 89502 3036158 4 6057 4 a-Alanine, conf. I
600289.4599 2.1941 -5.3480 3 1297.9717729 89502 303C118A3 C019A2 a-Alanine, conf. I
600289.4599 2.1941 -5.3480 3 1297.9717729 89502 303C119A3 C018A2 a-Alanine, conf. I
600297.3817 0.4228 -5.2672 3 600.8386411 89502 303685018 674918 a-Alanine, conf. I
600297.3817 0.4228 -4.1627 3 600.8386411 89502 303685018 674919 a-Alanine, conf. I
600297.3817 0.4228 -4.1627 3 600.8386411 89502 303685019 674918 a-Alanine, conf. I
600297.3817 0.4228 -5.2672 3 600.8386411 89502 303685019 674919 a-Alanine, conf. I
600301.9005 5.2931 -5.2846 3 1359.2097813 89502 303D5 0D5 D4 1D4 a-Alanine, conf. I
600301.9005 5.2931 -5.2846 3 1359.2097813 89502 303D5 1D5 D4 0D4 a-Alanine, conf. I
600407.2869 2.2739 -5.3851 3 1261.1695699 89502 303B62591 B52690 a-Alanine, conf. I
600407.2869 2.2739 -5.3851 3 1261.1695699 89502 303B62691 B52590 a-Alanine, conf. I
600457.6783 2.4828 -5.3195 3 1330.8894765 89502 303C710B7 C611B6 a-Alanine, conf. I
600457.6783 2.4828 -5.3195 3 1330.8894765 89502 303C711B7 C610B6 a-Alanine, conf. I
600558.0454 2.2043 -5.3343 3 1316.4104747 89502 303C414B0 C315A9 a-Alanine, conf. I
600558.0454 2.2043 -5.3343 3 1316.4104747 89502 303C415B0 C314A9 a-Alanine, conf. I
600605.1228 18.3640 -5.1336 3 841.1314549 89502 303913458 903357 a-Alanine, conf. I
600782.9667 3.5044 -5.3051 3 1348.3026789 89502 303D1 5C6 D0 6C5 a-Alanine, conf. I
600782.9667 3.5044 -5.3051 3 1348.3026789 89502 303D1 6C6 D0 5C5 a-Alanine, conf. I
600910.8657 0.4424 -5.2791 3 605.6812417 89502 303694920 684820 a-Alanine, conf. I
600910.8657 0.4424 -4.1837 3 605.6812417 89502 303694920 684821 a-Alanine, conf. I
600910.8657 0.4424 -4.1837 3 605.6812417 89502 303694921 684820 a-Alanine, conf. I
600910.8657 0.4424 -5.2791 3 605.6812417 89502 303694921 684821 a-Alanine, conf. I
600988.7019 0.5021 -5.2122 3 587.8988375 89502 3036257 5 6156 5 a-Alanine, conf. I
600988.7019 0.5021 -4.0600 3 587.8988375 89502 3036257 5 6156 6 a-Alanine, conf. I
600988.7019 0.5021 -4.0600 3 587.8988375 89502 3036257 6 6156 5 a-Alanine, conf. I
600988.7019 0.5021 -5.2122 3 587.8988375 89502 3036257 6 6156 6 a-Alanine, conf. I
601011.6720 2.2458 -5.3665 3 1286.5466717 89502 303B92198 B82297 a-Alanine, conf. I
601011.6720 2.2458 -5.3665 3 1286.5466717 89502 303B92298 B82197 a-Alanine, conf. I
601306.7604 7.0498 -4.9948 3 485.1094423 89502 303702347 692248 a-Alanine, conf. I
601350.9153 0.7561 -4.6818 3 714.2413501 89502 303833549 823448 a-Alanine, conf. I
601431.1151 0.7647 -4.6816 3 714.2392501 89502 303833548 823449 a-Alanine, conf. I
601450.1453 2.6373 -5.3233 3 1338.8763771 89502 303C8 9B9 C710B8 a-Alanine, conf. I
601450.1453 2.6373 -5.3233 3 1338.8763771 89502 303C810B9 C7 9B8 a-Alanine, conf. I
601484.4611 2.1964 -5.3522 3 1307.9435735 89502 303C217A5 C118A4 a-Alanine, conf. I
601484.4611 2.1964 -5.3522 3 1307.9435735 89502 303C218A5 C117A4 a-Alanine, conf. I
601501.7297 0.4647 -5.2914 3 610.8854423 89502 303704822 694722 a-Alanine, conf. I
601501.7297 0.4647 -4.2058 3 610.8854423 89502 303704822 694723 a-Alanine, conf. I
601501.7297 0.4647 -4.2058 3 610.8854423 89502 303704823 694722 a-Alanine, conf. I
601501.7297 0.4647 -5.2914 3 610.8854423 89502 303704823 694723 a-Alanine, conf. I
601611.7439 3.8227 -5.3080 3 1355.0088795 89502 303D2 4C8 D1 5C7 a-Alanine, conf. I
601611.7439 3.8227 -5.3080 3 1355.0088795 89502 303D2 5C8 D1 4C7 a-Alanine, conf. I
601660.9476 2.2840 -5.3870 3 1272.8873705 89502 303B72493 B62592 a-Alanine, conf. I
601660.9476 2.2840 -5.3870 3 1272.8873705 89502 303B72593 B62492 a-Alanine, conf. I
601662.6423 2.2530 -5.3385 3 1325.3979753 89502 303C513B2 C414B1 a-Alanine, conf. I
601662.6423 2.2530 -5.3385 3 1325.3979753 89502 303C514B2 C413B1 a-Alanine, conf. I
601683.8615 0.4584 -5.2208 3 590.4610381 89502 3036356 7 6255 7 a-Alanine, conf. I
601683.8615 0.4584 -4.0748 3 590.4610381 89502 3036356 7 6255 8 a-Alanine, conf. I
601683.8615 0.4584 -4.0748 3 590.4610381 89502 3036356 8 6255 7 a-Alanine, conf. I
601683.8615 0.4584 -5.2208 3 590.4610381 89502 3036356 8 6255 8 a-Alanine, conf. I
601768.1750 4.7654 -4.9947 3 452.3456411 89502 303682147 672048 a-Alanine, conf. I
601986.1092 1.6417 -4.8009 3 741.2642513 89502 303853452 843351 a-Alanine, conf. I
602015.9459 4.6405 -4.9944 3 452.3454411 89502 303682247 671948 a-Alanine, conf. I
602041.3440 1.9027 -5.1563 3 364.4073381 89502 303631449 621350 a-Alanine, conf. I
602041.3449 1.9027 -5.1563 3 364.4073381 89502 303631549 621250 a-Alanine, conf. I
602065.5186 0.4888 -5.3043 3 616.4545429 89502 303714724 704624 a-Alanine, conf. I
602065.5186 0.4888 -4.2292 3 616.4545429 89502 303714724 704625 a-Alanine, conf. I
602065.5186 0.4888 -4.2292 3 616.4545429 89502 303714725 704624 a-Alanine, conf. I
602065.5186 0.4888 -5.3043 3 616.4545429 89502 303714725 704625 a-Alanine, conf. I
602251.9440 2.2447 -5.3702 3 1297.2652723 89502 303C020A0 B92199 a-Alanine, conf. I
602251.9440 2.2447 -5.3702 3 1297.2652723 89502 303C021A0 B92099 a-Alanine, conf. I
602371.1544 0.4284 -5.2299 3 593.3706387 89502 3036455 9 6354 9 a-Alanine, conf. I
602371.1544 0.4284 -4.0903 3 593.3706387 89502 3036455 9 635410 a-Alanine, conf. I
602371.1544 0.4284 -4.0903 3 593.3706387 89502 303645510 6354 9 a-Alanine, conf. I
602371.1544 0.4284 -5.2299 3 593.3706387 89502 303645510 635410 a-Alanine, conf. I
602393.4544 5.6487 -4.9920 3 468.6473417 89502 303692247 682148 a-Alanine, conf. I
602403.3429 4.1734 -5.3106 3 1361.4579801 89502 303D3 3D0 D2 4C9 a-Alanine, conf. I
602403.3429 4.1734 -5.3106 3 1361.4579801 89502 303D3 4D0 D2 3C9 a-Alanine, conf. I
602409.6514 2.8254 -5.3270 3 1346.6174777 89502 303C9 8C1 C8 9C0 a-Alanine, conf. I
602409.6514 2.8254 -5.3270 3 1346.6174777 89502 303C9 9C1 C8 8C0 a-Alanine, conf. I
602596.7342 0.5141 -5.3177 3 622.3924435 89502 303724626 714526 a-Alanine, conf. I
602596.7342 0.5141 -4.2539 3 622.3924435 89502 303724626 714527 a-Alanine, conf. I
602596.7342 0.5141 -4.2539 3 622.3924435 89502 303724627 714526 a-Alanine, conf. I
602596.7342 0.5141 -5.3177 3 622.3924435 89502 303724627 714527 a-Alanine, conf. I
602657.8206 2.2052 -5.3565 3 1317.6799741 89502 303C316A7 C217A6 a-Alanine, conf. I
602657.8206 2.2052 -5.3565 3 1317.6799741 89502 303C317A7 C216A6 a-Alanine, conf. I
602738.8720 2.3241 -5.3427 3 1334.1462759 89502 303C612B4 C513B3 a-Alanine, conf. I
602738.8720 2.3241 -5.3427 3 1334.1462759 89502 303C613B4 C512B3 a-Alanine, conf. I
602762.7927 20.5886 -5.0673 3 645.6005483 89502 303802951 792852 a-Alanine, conf. I
602862.7208 0.7646 -4.6194 3 703.6161495 89502 303823647 813546 a-Alanine, conf. I
602867.4383 0.7660 -4.6194 3 703.6159495 89502 303823646 813547 a-Alanine, conf. I
602918.3126 2.2907 -5.3896 3 1284.3624711 89502 303B82395 B72494 a-Alanine, conf. I
602918.3126 2.2907 -5.3896 3 1284.3624711 89502 303B82495 B72394 a-Alanine, conf. I
602926.5024 2.8124 -5.0613 3 400.1436393 89502 303651748 641649 a-Alanine, conf. I
602926.8532 2.8122 -5.0613 3 400.1436393 89502 303651848 641549 a-Alanine, conf. I
603049.3497 0.4116 -5.2395 3 596.6293393 89502 303655411 645311 a-Alanine, conf. I
603049.3497 0.4116 -4.1068 3 596.6293393 89502 303655411 645312 a-Alanine, conf. I
603049.3497 0.4116 -4.1068 3 596.6293393 89502 303655412 645311 a-Alanine, conf. I
603049.3497 0.4116 -5.2395 3 596.6293393 89502 303655412 645312 a-Alanine, conf. I
603088.5393 0.5404 -5.3316 3 628.7036441 89502 303734528 724428 a-Alanine, conf. I
603088.5393 0.5404 -4.2799 3 628.7036441 89502 303734528 724429 a-Alanine, conf. I
603088.5393 0.5404 -4.2799 3 628.7036441 89502 303734529 724428 a-Alanine, conf. I
603088.5393 0.5404 -5.3316 3 628.7036441 89502 303734529 724429 a-Alanine, conf. I
603157.0073 4.5558 -5.3130 3 1367.6469807 89502 303D4 2D2 D3 3D1 a-Alanine, conf. I
603157.0073 4.5558 -5.3130 3 1367.6469807 89502 303D4 3D2 D3 2D1 a-Alanine, conf. I
603260.9184 5.2145 -4.9910 3 468.6462417 89502 303692347 682048 a-Alanine, conf. I
603335.1767 3.0477 -5.3306 3 1354.1105783 89502 303D0 7C3 C9 8C2 a-Alanine, conf. I
603335.1767 3.0477 -5.3306 3 1354.1105783 89502 303D0 8C3 C9 7C2 a-Alanine, conf. I
603478.0671 2.2428 -5.3742 3 1307.7479729 89502 303C119A2 C020A1 a-Alanine, conf. I
603478.0671 2.2428 -5.3742 3 1307.7479729 89502 303C120A2 C019A1 a-Alanine, conf. I
603532.3527 0.5677 -5.3460 3 635.3933447 89502 303744430 734330 a-Alanine, conf. I
603532.3527 0.5677 -4.3076 3 635.3933447 89502 303744430 734331 a-Alanine, conf. I
603532.3527 0.5677 -4.3076 3 635.3933447 89502 303744431 734330 a-Alanine, conf. I
603532.3527 0.5677 -5.3460 3 635.3933447 89502 303744431 734331 a-Alanine, conf. I
603716.9650 0.4068 -5.2496 3 600.2385399 89502 303665313 655213 a-Alanine, conf. I
603716.9650 0.4068 -4.1241 3 600.2385399 89502 303665313 655214 a-Alanine, conf. I
603716.9650 0.4068 -4.1241 3 600.2385399 89502 303665314 655213 a-Alanine, conf. I
603716.9650 0.4068 -5.2496 3 600.2385399 89502 303665314 655214 a-Alanine, conf. I
603739.2346 1.4874 -5.2496 3 344.2687375 89502 303621250 611151 a-Alanine, conf. I
603739.2346 1.4874 -5.2496 3 344.2687375 89502 303621350 611051 a-Alanine, conf. I
603757.8944 0.7592 -4.5661 3 693.5231489 89502 303813745 803644 a-Alanine, conf. I
603758.1174 0.7593 -4.5661 3 693.5231489 89502 303813744 803645 a-Alanine, conf. I
603785.3406 2.4215 -5.3469 3 1342.6537765 89502 303C711B6 C612B5 a-Alanine, conf. I
603785.3406 2.4215 -5.3469 3 1342.6537765 89502 303C712B6 C611B5 a-Alanine, conf. I
603807.4416 2.2239 -5.3609 3 1327.1800747 89502 303C415A9 C316A8 a-Alanine, conf. I
603807.4416 2.2239 -5.3609 3 1327.1800747 89502 303C416A9 C315A8 a-Alanine, conf. I
603872.0193 4.9693 -5.3152 3 1373.5732813 89502 303D5 1D4 D4 2D3 a-Alanine, conf. I
603872.0193 4.9693 -5.3152 3 1373.5732813 89502 303D5 2D4 D4 1D3 a-Alanine, conf. I
603917.2818 0.5959 -5.3609 3 642.4675453 89502 303754332 744232 a-Alanine, conf. I
603917.2818 0.5959 -4.3369 3 642.4675453 89502 303754332 744233 a-Alanine, conf. I
603917.2818 0.5959 -4.3369 3 642.4675453 89502 303754333 744232 a-Alanine, conf. I
603917.2818 0.5959 -5.3609 3 642.4675453 89502 303754333 744233 a-Alanine, conf. I
603960.9446 11.4219 -4.9684 3 733.5780513 89502 303853253 843154 a-Alanine, conf. I
603979.1834 0.9435 -4.7983 3 741.2137513 89502 303853451 843352 a-Alanine, conf. I
604083.7511 5.6978 -4.9920 3 485.1053423 89502 303702447 692148 a-Alanine, conf. I
604225.7697 3.3044 -5.3340 3 1361.3530789 89502 303D1 6C5 D0 7C4 a-Alanine, conf. I
604225.7697 3.3044 -5.3340 3 1361.3530789 89502 303D1 7C5 D0 6C4 a-Alanine, conf. I
604229.3090 0.6253 -5.3764 3 649.9336459 89502 303764234 754134 a-Alanine, conf. I
604229.3090 0.6253 -4.3681 3 649.9336459 89502 303764234 754135 a-Alanine, conf. I
604229.3090 0.6253 -4.3681 3 649.9336459 89502 303764235 754134 a-Alanine, conf. I
604229.3090 0.6253 -5.3764 3 649.9336459 89502 303764235 754135 a-Alanine, conf. I
604245.9857 27.0716 -5.3239 3 933.5925579 89502 303963562 953461 a-Alanine, conf. I
604255.6340 0.6846 -5.2029 3 592.9571363 89502 3036060 0 5959 0 a-Alanine, conf. I
604255.6340 0.6846 -4.0367 3 592.9571363 89502 3036060 0 5959 1 a-Alanine, conf. I
604255.6340 0.6846 -4.0367 3 592.9571363 89502 3036060 1 5959 0 a-Alanine, conf. I
604255.6340 0.6846 -5.2029 3 592.9571363 89502 3036060 1 5959 1 a-Alanine, conf. I
604268.6807 0.7407 -4.5189 3 683.9202483 89502 303803843 793742 a-Alanine, conf. I
604268.6893 0.7407 -4.5189 3 683.9202483 89502 303803842 793743 a-Alanine, conf. I
604372.2120 0.4117 -5.2602 3 604.2003405 89502 303675215 665115 a-Alanine, conf. I
604372.2120 0.4117 -4.1425 3 604.2003405 89502 303675215 665116 a-Alanine, conf. I
604372.2120 0.4117 -4.1425 3 604.2003405 89502 303675216 665115 a-Alanine, conf. I
604372.2120 0.4117 -5.2602 3 604.2003405 89502 303675216 665116 a-Alanine, conf. I
604379.9429 4.8503 -5.1874 3 494.7424423 89502 303702744 692445 a-Alanine, conf. I
604450.0846 0.6554 -4.4015 3 657.8001465 89502 303774136 764037 a-Alanine, conf. I
604450.0846 0.6554 -4.4015 3 657.8001465 89502 303774137 764036 a-Alanine, conf. I
604510.5803 0.7149 -4.4764 3 674.7788477 89502 303793941 783840 a-Alanine, conf. I
604510.5806 0.7149 -4.4764 3 674.7788477 89502 303793940 783841 a-Alanine, conf. I
604547.6957 5.4130 -5.3171 3 1379.2337819 89502 303D6 0D6 D5 1D5 a-Alanine, conf. I
604547.6957 5.4130 -5.3171 3 1379.2337819 89502 303D6 1D6 D5 0D5 a-Alanine, conf. I
604555.0741 0.6857 -4.4375 3 666.0775471 89502 303784038 773939 a-Alanine, conf. I
604555.0741 0.6857 -4.4375 3 666.0775471 89502 303784039 773938 a-Alanine, conf. I
604564.8194 2.4335 -5.1259 3 508.1436429 89502 303712745 702446 a-Alanine, conf. I
604630.9621 1.2606 -5.3705 3 324.1004369 89502 303611051 60 952 a-Alanine, conf. I
604630.9621 1.2606 -5.3705 3 324.1004369 89502 303611151 60 852 a-Alanine, conf. I
604686.9641 2.2420 -5.3784 3 1317.9952735 89502 303C218A4 C119A3 a-Alanine, conf. I
604686.9641 2.2420 -5.3784 3 1317.9952735 89502 303C219A4 C118A3 a-Alanine, conf. I
604800.7740 2.5486 -5.3511 3 1350.9185771 89502 303C810B8 C711B7 a-Alanine, conf. I
604800.7740 2.5486 -5.3511 3 1350.9185771 89502 303C811B8 C710B7 a-Alanine, conf. I
604931.4623 2.2568 -5.3653 3 1336.4429753 89502 303C514B1 C415B0 a-Alanine, conf. I
604931.4623 2.2568 -5.3653 3 1336.4429753 89502 303C515B1 C414B0 a-Alanine, conf. I
604965.8100 0.6081 -5.2102 3 594.6680369 89502 3036159 2 6058 2 a-Alanine, conf. I
604965.8100 0.6081 -4.0494 3 594.6680369 89502 3036159 2 6058 3 a-Alanine, conf. I
604965.8100 0.6081 -4.0494 3 594.6680369 89502 3036159 3 6058 2 a-Alanine, conf. I
604965.8100 0.6081 -5.2102 3 594.6680369 89502 3036159 3 6058 3 a-Alanine, conf. I
605012.9304 0.4241 -5.2713 3 608.5167411 89502 303685117 675017 a-Alanine, conf. I
605012.9304 0.4241 -4.1618 3 608.5167411 89502 303685117 675018 a-Alanine, conf. I
605012.9304 0.4241 -4.1618 3 608.5167411 89502 303685118 675017 a-Alanine, conf. I
605012.9304 0.4241 -5.2713 3 608.5167411 89502 303685118 675018 a-Alanine, conf. I
605024.9061 5.8093 -4.9992 3 501.7086429 89502 303712547 702248 a-Alanine, conf. I
605035.1821 2.6188 -4.8454 3 757.2795519 89502 303863453 853352 a-Alanine, conf. I
605080.5397 3.5951 -5.3372 3 1368.3426795 89502 303D2 5C7 D1 6C6 a-Alanine, conf. I
605080.5397 3.5951 -5.3372 3 1368.3426795 89502 303D2 6C7 D1 5C6 a-Alanine, conf. I
605207.4911 14.1541 -5.0697 3 823.8272543 89502 303903457 893356 a-Alanine, conf. I
605355.2709 11.7844 -5.0311 3 531.8515441 89502 303732548 722449 a-Alanine, conf. I
605636.5040 0.4418 -5.2829 3 613.1900417 89502 303695019 684919 a-Alanine, conf. I
605636.5040 0.4418 -4.1821 3 613.1900417 89502 303695019 684920 a-Alanine, conf. I
605636.5040 0.4418 -4.1821 3 613.1900417 89502 303695020 684919 a-Alanine, conf. I
605636.5040 0.4418 -5.2829 3 613.1900417 89502 303695020 684920 a-Alanine, conf. I
605670.3294 0.5437 -5.2181 3 596.7231375 89502 3036258 4 6157 4 a-Alanine, conf. I
605670.3294 0.5437 -4.0628 3 596.7231375 89502 3036258 4 6157 5 a-Alanine, conf. I
605670.3294 0.5437 -4.0628 3 596.7231375 89502 3036258 5 6157 4 a-Alanine, conf. I
605670.3294 0.5437 -5.2181 3 596.7231375 89502 3036258 5 6157 5 a-Alanine, conf. I
605784.0012 2.7079 -5.3551 3 1358.9385777 89502 303C9 9C0 C810B9 a-Alanine, conf. I
605784.0012 2.7079 -5.3551 3 1358.9385777 89502 303C910C0 C8 9B9 a-Alanine, conf. I
605790.2655 0.7835 -4.7168 3 729.7386507 89502 303843550 833449 a-Alanine, conf. I
605875.9784 2.2450 -5.3829 3 1328.0069741 89502 303C317A6 C218A5 a-Alanine, conf. I
605875.9784 2.2450 -5.3829 3 1328.0069741 89502 303C318A6 C217A5 a-Alanine, conf. I
605898.6489 3.9193 -5.3403 3 1375.0764801 89502 303D3 4C9 D2 5C8 a-Alanine, conf. I
605898.6489 3.9193 -5.3403 3 1375.0764801 89502 303D3 5C9 D2 4C8 a-Alanine, conf. I
605952.6569 0.7859 -4.7166 3 729.7344507 89502 303843549 833450 a-Alanine, conf. I
606028.2146 2.3084 -5.3698 3 1345.4672759 89502 303C613B3 C514B2 a-Alanine, conf. I
606028.2146 2.3084 -5.3698 3 1345.4672759 89502 303C614B3 C513B2 a-Alanine, conf. I
606031.8679 20.3668 -5.0601 3 679.4440495 89502 303823052 812953 a-Alanine, conf. I
606137.4851 5.3722 -4.9154 3 753.3126519 89502 303863353 853254 a-Alanine, conf. I
606239.7530 0.4630 -5.2951 3 618.2230423 89502 303704921 694821 a-Alanine, conf. I
606239.7530 0.4630 -4.2036 3 618.2230423 89502 303704921 694822 a-Alanine, conf. I
606239.7530 0.4630 -4.2036 3 618.2230423 89502 303704922 694821 a-Alanine, conf. I
606239.7530 0.4630 -5.2951 3 618.2230423 89502 303704922 694822 a-Alanine, conf. I
606241.0039 3.2076 -5.0430 3 415.9905399 89502 303661848 651749 a-Alanine, conf. I
606242.7009 3.2067 -5.0430 3 415.9905399 89502 303661948 651649 a-Alanine, conf. I
606270.5304 2.1878 -5.1251 3 379.9206387 89502 303641549 631450 a-Alanine, conf. I
606270.5356 2.1878 -5.1251 3 379.9206387 89502 303641649 631350 a-Alanine, conf. I
606368.4346 0.4922 -5.2264 3 599.1238381 89502 3036357 6 6256 6 a-Alanine, conf. I
606368.4346 0.4922 -4.0771 3 599.1238381 89502 3036357 6 6256 7 a-Alanine, conf. I
606368.4346 0.4922 -4.0771 3 599.1238381 89502 3036357 7 6256 6 a-Alanine, conf. I
606368.4346 0.4922 -5.2264 3 599.1238381 89502 3036357 7 6256 7 a-Alanine, conf. I
606679.3070 4.2760 -5.3431 3 1381.5519807 89502 303D4 3D1 D3 4D0 a-Alanine, conf. I
606679.3070 4.2760 -5.3431 3 1381.5519807 89502 303D4 4D1 D3 3D0 a-Alanine, conf. I
606733.9394 2.9010 -5.3590 3 1366.7117783 89502 303D0 8C2 C9 9C1 a-Alanine, conf. I
606733.9394 2.9010 -5.3590 3 1366.7117783 89502 303D0 9C2 C9 8C1 a-Alanine, conf. I
606818.7966 0.4865 -5.3077 3 623.6189429 89502 303714823 704723 a-Alanine, conf. I
606818.7966 0.4865 -4.2262 3 623.6189429 89502 303714823 704724 a-Alanine, conf. I
606818.7966 0.4865 -4.2262 3 623.6189429 89502 303714824 704723 a-Alanine, conf. I
606818.7966 0.4865 -5.3077 3 623.6189429 89502 303714824 704724 a-Alanine, conf. I
607042.7908 2.2548 -5.3874 3 1337.7824747 89502 303C416A8 C317A7 a-Alanine, conf. I
607042.7908 2.2548 -5.3874 3 1337.7824747 89502 303C417A8 C316A7 a-Alanine, conf. I
607059.2141 0.4543 -5.2353 3 601.8711387 89502 3036456 8 6355 8 a-Alanine, conf. I
607059.2141 0.4543 -4.0922 3 601.8711387 89502 3036456 8 6355 9 a-Alanine, conf. I
607059.2141 0.4543 -4.0922 3 601.8711387 89502 3036456 9 6355 8 a-Alanine, conf. I
607059.2141 0.4543 -5.2353 3 601.8711387 89502 3036456 9 6355 9 a-Alanine, conf. I
607096.1930 2.3828 -5.3743 3 1354.2514765 89502 303C712B5 C613B4 a-Alanine, conf. I
607096.1930 2.3828 -5.3743 3 1354.2514765 89502 303C713B5 C612B4 a-Alanine, conf. I
607179.0105 6.8949 -5.2643 3 481.4429417 89502 303692743 682444 a-Alanine, conf. I
607265.7834 4.2329 -4.8940 3 773.5312525 89502 303873454 863353 a-Alanine, conf. I
607368.8726 0.5115 -5.3209 3 629.3810435 89502 303724725 714625 a-Alanine, conf. I
607368.8726 0.5115 -4.2500 3 629.3810435 89502 303724725 714626 a-Alanine, conf. I
607368.8726 0.5115 -4.2500 3 629.3810435 89502 303724726 714625 a-Alanine, conf. I
607368.8726 0.5115 -5.3209 3 629.3810435 89502 303724726 714626 a-Alanine, conf. I
607395.4073 5.0251 -5.0181 3 518.4325435 89502 303722647 712348 a-Alanine, conf. I
607421.7658 4.6647 -5.3456 3 1387.7661813 89502 303D5 2D3 D4 3D2 a-Alanine, conf. I
607421.7658 4.6647 -5.3456 3 1387.7661813 89502 303D5 3D3 D4 2D2 a-Alanine, conf. I
607570.4571 0.7827 -4.6512 3 718.8577501 89502 303833648 823547 a-Alanine, conf. I
607580.6645 0.7854 -4.6512 3 718.8574501 89502 303833647 823548 a-Alanine, conf. I
607649.5827 3.1287 -5.3627 3 1374.2356789 89502 303D1 7C4 D0 8C3 a-Alanine, conf. I
607649.5827 3.1287 -5.3627 3 1374.2356789 89502 303D1 8C4 D0 7C3 a-Alanine, conf. I
607741.5712 0.4300 -5.2446 3 604.9664393 89502 303655510 645410 a-Alanine, conf. I
607741.5712 0.4300 -4.1081 3 604.9664393 89502 303655510 645411 a-Alanine, conf. I
607741.5712 0.4300 -4.1081 3 604.9664393 89502 303655511 645410 a-Alanine, conf. I
607741.5712 0.4300 -5.2446 3 604.9664393 89502 303655511 645411 a-Alanine, conf. I
607741.6698 10.0614 -5.0065 3 806.7938537 89502 303893456 883355 a-Alanine, conf. I
607775.9887 0.8427 -5.0847 3 521.6393435 89502 303722746 712447 a-Alanine, conf. I
607884.0982 0.5377 -5.3345 3 635.5135441 89502 303734627 724527 a-Alanine, conf. I
607884.0982 0.5377 -4.2752 3 635.5135441 89502 303734627 724528 a-Alanine, conf. I
607884.0982 0.5377 -4.2752 3 635.5135441 89502 303734628 724527 a-Alanine, conf. I
607884.0982 0.5377 -5.3345 3 635.5135441 89502 303734628 724528 a-Alanine, conf. I
608125.3150 5.0845 -5.3479 3 1393.7162819 89502 303D6 1D5 D5 2D4 a-Alanine, conf. I
608125.3150 5.0845 -5.3479 3 1393.7162819 89502 303D6 2D5 D5 1D4 a-Alanine, conf. I
608134.0287 2.4841 -5.3787 3 1362.7938771 89502 303C811B7 C712B6 a-Alanine, conf. I
608134.0287 2.4841 -5.3787 3 1362.7938771 89502 303C812B7 C711B6 a-Alanine, conf. I
608309.1852 6.6846 -4.9475 3 790.0316531 89502 303883455 873354 a-Alanine, conf. I
608357.1484 0.5648 -5.3487 3 642.0210447 89502 303744529 734429 a-Alanine, conf. I
608357.1484 0.5648 -4.3019 3 642.0210447 89502 303744529 734430 a-Alanine, conf. I
608357.1484 0.5648 -4.3019 3 642.0210447 89502 303744530 734429 a-Alanine, conf. I
608357.1484 0.5648 -5.3487 3 642.0210447 89502 303744530 734430 a-Alanine, conf. I
608412.9567 1.6981 -5.2072 3 359.6261381 89502 303631350 621251 a-Alanine, conf. I
608412.9567 1.6981 -5.2072 3 359.6261381 89502 303631450 621151 a-Alanine, conf. I
608414.1875 0.4187 -5.2545 3 608.4114399 89502 303665412 655312 a-Alanine, conf. I
608414.1875 0.4187 -4.1250 3 608.4114399 89502 303665412 655313 a-Alanine, conf. I
608414.1875 0.4187 -4.1250 3 608.4114399 89502 303665413 655312 a-Alanine, conf. I
608414.1875 0.4187 -5.2545 3 608.4114399 89502 303665413 655313 a-Alanine, conf. I
608529.9924 3.3909 -5.3663 3 1381.5078795 89502 303D2 6C6 D1 7C5 a-Alanine, conf. I
608529.9924 3.3909 -5.3663 3 1381.5078795 89502 303D2 7C6 D1 6C5 a-Alanine, conf. I
608616.7900 0.7824 -4.5957 3 708.5254495 89502 303823746 813645 a-Alanine, conf. I
608617.3034 0.7825 -4.5957 3 708.5253495 89502 303823745 813646 a-Alanine, conf. I
608676.5001 1.3154 -4.8410 3 757.1883519 89502 303863452 853353 a-Alanine, conf. I
608778.8117 0.5929 -5.3634 3 648.9090453 89502 303754431 744331 a-Alanine, conf. I
608778.8117 0.5929 -4.3301 3 648.9090453 89502 303754431 744332 a-Alanine, conf. I
608778.8117 0.5929 -4.3301 3 648.9090453 89502 303754432 744331 a-Alanine, conf. I
608778.8117 0.5929 -5.3634 3 648.9090453 89502 303754432 744332 a-Alanine, conf. I
608789.2782 5.5347 -5.3500 3 1399.3992825 89502 303D7 0D7 D6 1D6 a-Alanine, conf. I
608789.2782 5.5347 -5.3500 3 1399.3992825 89502 303D7 1D7 D6 0D6 a-Alanine, conf. I
609075.4765 0.4184 -5.2648 3 612.2077405 89502 303675314 665214 a-Alanine, conf. I
609075.4765 0.4184 -4.1427 3 612.2077405 89502 303675314 665215 a-Alanine, conf. I
609075.4765 0.4184 -4.1427 3 612.2077405 89502 303675315 665214 a-Alanine, conf. I
609075.4765 0.4184 -5.2648 3 612.2077405 89502 303675315 665215 a-Alanine, conf. I
609137.3657 0.6220 -5.3787 3 656.1839459 89502 303764333 754233 a-Alanine, conf. I
609137.3657 0.6220 -4.3601 3 656.1839459 89502 303764333 754234 a-Alanine, conf. I
609137.3657 0.6220 -4.3601 3 656.1839459 89502 303764334 754233 a-Alanine, conf. I
609137.3657 0.6220 -5.3787 3 656.1839459 89502 303764334 754234 a-Alanine, conf. I
609140.4691 2.6157 -5.3830 3 1371.0924777 89502 303C910B9 C811B8 a-Alanine, conf. I
609140.4691 2.6157 -5.3830 3 1371.0924777 89502 303C911B9 C810B8 a-Alanine, conf. I
609175.1680 3.6522 -5.0285 3 432.0255405 89502 303671948 661849 a-Alanine, conf. I
609182.8290 3.6482 -5.0285 3 432.0255405 89502 303672048 661749 a-Alanine, conf. I
609232.4787 0.7669 -4.5469 3 698.6937489 89502 303813844 803743 a-Alanine, conf. I
609232.4997 0.7669 -4.5469 3 698.6937489 89502 303813843 803744 a-Alanine, conf. I
609374.2885 3.6874 -5.3697 3 1388.5259801 89502 303D3 5C8 D2 6C7 a-Alanine, conf. I
609374.2885 3.6874 -5.3697 3 1388.5259801 89502 303D3 6C8 D2 5C7 a-Alanine, conf. I
609417.6732 0.6522 -4.3921 3 663.8534465 89502 303774235 764136 a-Alanine, conf. I
609417.6732 0.6522 -4.3921 3 663.8534465 89502 303774236 764135 a-Alanine, conf. I
609552.3658 0.7425 -4.5031 3 689.3310483 89502 303803942 793841 a-Alanine, conf. I
609552.3665 0.7425 -4.5031 3 689.3310483 89502 303803941 793842 a-Alanine, conf. I
609599.8315 0.6829 -4.4263 3 671.9266471 89502 303784137 774038 a-Alanine, conf. I
609599.8315 0.6829 -4.4263 3 671.9266471 89502 303784138 774037 a-Alanine, conf. I
609643.5184 0.6618 -5.2168 3 603.8114369 89502 3036160 1 6059 1 a-Alanine, conf. I
609643.5184 0.6618 -4.0532 3 603.8114369 89502 3036160 1 6059 2 a-Alanine, conf. I
609643.5184 0.6618 -4.0532 3 603.8114369 89502 3036160 2 6059 1 a-Alanine, conf. I
609643.5184 0.6618 -5.2168 3 603.8114369 89502 3036160 2 6059 2 a-Alanine, conf. I
609657.0759 0.7136 -4.4631 3 680.4145477 89502 303794039 783940 a-Alanine, conf. I
609657.0759 0.7136 -4.4631 3 680.4145477 89502 303794040 783939 a-Alanine, conf. I
609657.8167 1.3724 -5.3129 3 339.2901375 89502 303621151 611052 a-Alanine, conf. I
609657.8167 1.3724 -5.3129 3 339.2901375 89502 303621251 61 952 a-Alanine, conf. I
609723.5266 0.4271 -5.2757 3 616.3573411 89502 303685216 675116 a-Alanine, conf. I
609723.5266 0.4271 -4.1614 3 616.3573411 89502 303685216 675117 a-Alanine, conf. I
609723.5266 0.4271 -4.1614 3 616.3573411 89502 303685217 675116 a-Alanine, conf. I
609723.5266 0.4271 -5.2757 3 616.3573411 89502 303685217 675117 a-Alanine, conf. I
610098.2463 0.8431 -4.7533 3 745.4440513 89502 303853551 843450 a-Alanine, conf. I
610181.6434 4.0175 -5.3729 3 1395.2870807 89502 303D4 4D0 D3 5C9 a-Alanine, conf. I
610181.6434 4.0175 -5.3729 3 1395.2870807 89502 303D4 5D0 D3 4C9 a-Alanine, conf. I
610257.1817 2.5080 -5.0988 3 395.6345393 89502 303651649 641550 a-Alanine, conf. I
610257.2112 2.5080 -5.0988 3 395.6345393 89502 303651749 641450 a-Alanine, conf. I
610350.3789 0.5899 -5.2243 3 605.7061375 89502 3036259 3 6158 3 a-Alanine, conf. I
610350.3789 0.5899 -4.0662 3 605.7061375 89502 3036259 3 6158 4 a-Alanine, conf. I
610350.3789 0.5899 -4.0662 3 605.7061375 89502 3036259 4 6158 3 a-Alanine, conf. I
610350.3789 0.5899 -5.2243 3 605.7061375 89502 3036259 4 6158 4 a-Alanine, conf. I
610356.0306 0.4422 -5.2871 3 620.8624417 89502 303695118 685018 a-Alanine, conf. I
610356.0306 0.4422 -4.1812 3 620.8624417 89502 303695118 685019 a-Alanine, conf. I
610356.0306 0.4422 -4.1812 3 620.8624417 89502 303695119 685018 a-Alanine, conf. I
610356.0306 0.4422 -5.2871 3 620.8624417 89502 303695119 685019 a-Alanine, conf. I
610420.3569 0.8101 -4.7529 3 745.4356513 89502 303853550 843451 a-Alanine, conf. I
610455.6830 18.9244 -5.0502 3 714.1157507 89502 303843153 833054 a-Alanine, conf. I
610951.2756 4.3804 -5.3759 3 1401.7885813 89502 303D5 3D2 D4 4D1 a-Alanine, conf. I
610951.2756 4.3804 -5.3759 3 1401.7885813 89502 303D5 4D2 D4 3D1 a-Alanine, conf. I
610970.1948 0.4619 -5.2990 3 625.7254423 89502 303705020 694920 a-Alanine, conf. I
610970.1948 0.4619 -4.2020 3 625.7254423 89502 303705020 694921 a-Alanine, conf. I
610970.1948 0.4619 -4.2020 3 625.7254423 89502 303705021 694920 a-Alanine, conf. I
610970.1948 0.4619 -5.2990 3 625.7254423 89502 303705021 694921 a-Alanine, conf. I
611051.2009 0.5306 -5.2324 3 607.9456381 89502 3036358 5 6257 5 a-Alanine, conf. I
611051.2009 0.5306 -4.0800 3 607.9456381 89502 3036358 5 6257 6 a-Alanine, conf. I
611051.2009 0.5306 -4.0800 3 607.9456381 89502 3036358 6 6257 5 a-Alanine, conf. I
611051.2009 0.5306 -5.2324 3 607.9456381 89502 3036358 6 6257 6 a-Alanine, conf. I
611562.6244 0.4845 -5.3114 3 630.9493429 89502 303714922 704822 a-Alanine, conf. I
611562.6244 0.4845 -4.2239 3 630.9493429 89502 303714922 704823 a-Alanine, conf. I
611562.6244 0.4845 -4.2239 3 630.9493429 89502 303714923 704822 a-Alanine, conf. I
611562.6244 0.4845 -5.3114 3 630.9493429 89502 303714923 704823 a-Alanine, conf. I
611653.2912 4.1616 -5.0177 3 448.2437411 89502 303682048 671949 a-Alanine, conf. I
611682.4450 4.7753 -5.3786 3 1408.0275819 89502 303D6 2D4 D5 3D3 a-Alanine, conf. I
611682.4450 4.7753 -5.3786 3 1408.0275819 89502 303D6 3D4 D5 2D3 a-Alanine, conf. I
611685.5526 4.1444 -5.0177 3 448.2437411 89502 303682148 671849 a-Alanine, conf. I
611745.1692 0.4848 -5.2410 3 610.5310387 89502 3036457 7 6356 7 a-Alanine, conf. I
611745.1692 0.4848 -4.0946 3 610.5310387 89502 3036457 7 6356 8 a-Alanine, conf. I
611745.1692 0.4848 -4.0946 3 610.5310387 89502 3036457 8 6356 7 a-Alanine, conf. I
611745.1692 0.4848 -5.2410 3 610.5310387 89502 3036457 8 6356 8 a-Alanine, conf. I
611984.9638 8.6396 -5.0166 3 514.8206435 89502 303722448 712349 a-Alanine, conf. I
612007.1913 24.8758 -5.2758 3 915.2410573 89502 303953561 943460 a-Alanine, conf. I
612051.5180 14.5756 -5.0599 3 562.8076453 89502 303752649 742550 a-Alanine, conf. I
612129.1750 0.5091 -5.3244 3 636.5372435 89502 303724824 714724 a-Alanine, conf. I
612129.1750 0.5091 -4.2470 3 636.5372435 89502 303724824 714725 a-Alanine, conf. I
612129.1750 0.5091 -4.2470 3 636.5372435 89502 303724825 714724 a-Alanine, conf. I
612129.1750 0.5091 -5.3244 3 636.5372435 89502 303724825 714725 a-Alanine, conf. I
612217.2308 0.7998 -4.6840 3 734.3008507 89502 303843649 833548 a-Alanine, conf. I
612238.8993 0.8045 -4.6839 3 734.3003507 89502 303843648 833549 a-Alanine, conf. I
612431.3050 0.4528 -5.2501 3 613.4636393 89502 3036556 9 6455 9 a-Alanine, conf. I
612431.3050 0.4528 -4.1100 3 613.4636393 89502 3036556 9 645510 a-Alanine, conf. I
612431.3050 0.4528 -4.1100 3 613.4636393 89502 303655610 6455 9 a-Alanine, conf. I
612431.3050 0.4528 -5.2501 3 613.4636393 89502 303655610 645510 a-Alanine, conf. I
612431.7323 8.2084 -5.3457 3 468.2668411 89502 303682742 672443 a-Alanine, conf. I
612664.7577 0.5350 -5.3378 3 642.4929441 89502 303734726 724626 a-Alanine, conf. I
612664.7577 0.5350 -4.2714 3 642.4929441 89502 303734726 724627 a-Alanine, conf. I
612664.7577 0.5350 -4.2714 3 642.4929441 89502 303734727 724626 a-Alanine, conf. I
612664.7577 0.5350 -5.3378 3 642.4929441 89502 303734727 724627 a-Alanine, conf. I
612894.7860 1.9485 -5.1711 3 375.1905387 89502 303641450 631351 a-Alanine, conf. I
612894.7864 1.9485 -5.1711 3 375.1905387 89502 303641550 631251 a-Alanine, conf. I
613108.4332 0.4343 -5.2597 3 616.7448399 89502 303665511 655411 a-Alanine, conf. I
613108.4332 0.4343 -4.1264 3 616.7448399 89502 303665511 655412 a-Alanine, conf. I
613108.4332 0.4343 -4.1264 3 616.7448399 89502 303665512 655411 a-Alanine, conf. I
613108.4332 0.4343 -5.2597 3 616.7448399 89502 303665512 655412 a-Alanine, conf. I
613163.0796 0.5620 -5.3518 3 648.8205447 89502 303744628 734528 a-Alanine, conf. I
613163.0796 0.5620 -4.2971 3 648.8205447 89502 303744628 734529 a-Alanine, conf. I
613163.0796 0.5620 -4.2971 3 648.8205447 89502 303744629 734528 a-Alanine, conf. I
613163.0796 0.5620 -5.3518 3 648.8205447 89502 303744629 734529 a-Alanine, conf. I
613434.5145 0.8045 -4.6261 3 723.7254501 89502 303833747 823646 a-Alanine, conf. I
613435.6740 0.8049 -4.6261 3 723.7254501 89502 303833746 823647 a-Alanine, conf. I
613554.4966 4.7688 -5.0106 3 464.6394417 89502 303692148 682049 a-Alanine, conf. I
613616.2927 0.5899 -5.3663 3 655.5249453 89502 303754530 744430 a-Alanine, conf. I
613616.2927 0.5899 -4.3243 3 655.5249453 89502 303754530 744431 a-Alanine, conf. I
613616.2927 0.5899 -4.3243 3 655.5249453 89502 303754531 744430 a-Alanine, conf. I
613616.2927 0.5899 -5.3663 3 655.5249453 89502 303754531 744431 a-Alanine, conf. I
613661.9129 2.6216 -5.0625 3 535.2342441 89502 303732747 722448 a-Alanine, conf. I
613680.9967 4.7009 -5.0104 3 464.6392417 89502 303692248 681949 a-Alanine, conf. I
613734.8713 2.1603 -4.8867 3 773.3711525 89502 303873453 863354 a-Alanine, conf. I
613775.1428 0.4281 -5.2699 3 620.3764405 89502 303675413 665313 a-Alanine, conf. I
613775.1428 0.4281 -4.1436 3 620.3764405 89502 303675413 665314 a-Alanine, conf. I
613775.1428 0.4281 -4.1436 3 620.3764405 89502 303675414 665313 a-Alanine, conf. I
613775.1428 0.4281 -5.2699 3 620.3764405 89502 303675414 665314 a-Alanine, conf. I
613972.4146 2.8649 -5.0769 3 411.5456399 89502 303661749 651650 a-Alanine, conf. I
613972.5717 2.8648 -5.0769 3 411.5456399 89502 303661849 651550 a-Alanine, conf. I
614014.5072 0.6189 -4.3532 3 662.6120459 89502 303764432 754333 a-Alanine, conf. I
614014.5072 0.6189 -4.3532 3 662.6120459 89502 303764433 754332 a-Alanine, conf. I
614165.2085 0.7928 -4.5756 3 713.6623495 89502 303823845 813744 a-Alanine, conf. I
614165.2589 0.7928 -4.5756 3 713.6623495 89502 303823844 813745 a-Alanine, conf. I
614226.0508 0.9889 -4.7916 3 761.3603519 89502 303863552 853451 a-Alanine, conf. I
614312.5709 8.7389 -4.9752 3 769.5403525 89502 303873354 863255 a-Alanine, conf. I
614319.8828 0.7201 -5.2237 3 613.1129369 89502 3036161 0 6060 0 a-Alanine, conf. I
614319.8828 0.7201 -4.0575 3 613.1129369 89502 3036161 0 6060 1 a-Alanine, conf. I
614319.8828 0.7201 -4.0575 3 613.1129369 89502 3036161 1 6060 0 a-Alanine, conf. I
614319.8828 0.7201 -5.2237 3 613.1129369 89502 3036161 1 6060 1 a-Alanine, conf. I
614345.1023 0.6489 -4.3838 3 670.0885465 89502 303774334 764235 a-Alanine, conf. I
614345.1023 0.6489 -4.3838 3 670.0885465 89502 303774335 764234 a-Alanine, conf. I
614429.7382 0.4321 -5.2805 3 624.3600411 89502 303685315 675215 a-Alanine, conf. I
614429.7382 0.4321 -4.1617 3 624.3600411 89502 303685315 675216 a-Alanine, conf. I
614429.7382 0.4321 -4.1617 3 624.3600411 89502 303685316 675215 a-Alanine, conf. I
614429.7382 0.4321 -5.2805 3 624.3600411 89502 303685316 675216 a-Alanine, conf. I
614473.1609 6.7076 -5.0088 3 497.9359429 89502 303712348 702249 a-Alanine, conf. I
614526.3504 1.5355 -5.2638 3 354.6921381 89502 303631251 621152 a-Alanine, conf. I
614526.3504 1.5355 -5.2638 3 354.6921381 89502 303631351 621052 a-Alanine, conf. I
614569.5405 0.7702 -4.5304 3 704.0765489 89502 303813943 803842 a-Alanine, conf. I
614569.5423 0.7702 -4.5304 3 704.0765489 89502 303813942 803843 a-Alanine, conf. I
614591.7205 0.6798 -4.4165 3 677.9623471 89502 303784236 774137 a-Alanine, conf. I
614591.7205 0.6798 -4.4165 3 677.9623471 89502 303784237 774136 a-Alanine, conf. I
614653.4810 5.5529 -5.0073 3 481.2060423 89502 303702248 692149 a-Alanine, conf. I
614732.7531 0.7111 -4.4516 3 686.2433477 89502 303794138 784039 a-Alanine, conf. I
614732.7531 0.7111 -4.4516 3 686.2433477 89502 303794139 784038 a-Alanine, conf. I
614738.9596 0.7419 -4.4894 3 694.9431483 89502 303804040 793941 a-Alanine, conf. I
614738.9596 0.7419 -4.4894 3 694.9431483 89502 303804041 793940 a-Alanine, conf. I
614851.5762 0.8409 -4.7908 3 761.3443519 89502 303863551 853452 a-Alanine, conf. I
615028.9383 0.6409 -5.2310 3 614.8474375 89502 3036260 2 6159 2 a-Alanine, conf. I
615028.9383 0.6409 -4.0700 3 614.8474375 89502 3036260 2 6159 3 a-Alanine, conf. I
615028.9383 0.6409 -4.0700 3 614.8474375 89502 3036260 3 6159 2 a-Alanine, conf. I
615028.9383 0.6409 -5.2310 3 614.8474375 89502 3036260 3 6159 3 a-Alanine, conf. I
615070.1782 0.4440 -5.2917 3 628.6977417 89502 303695217 685117 a-Alanine, conf. I
615070.1782 0.4440 -4.1809 3 628.6977417 89502 303695217 685118 a-Alanine, conf. I
615070.1782 0.4440 -4.1809 3 628.6977417 89502 303695218 685117 a-Alanine, conf. I
615070.1782 0.4440 -5.2917 3 628.6977417 89502 303695218 685118 a-Alanine, conf. I
615113.6268 5.3060 -5.0068 3 481.2055423 89502 303702348 692049 a-Alanine, conf. I
615694.0000 0.4616 -5.3034 3 633.3919423 89502 303705119 695019 a-Alanine, conf. I
615694.0000 0.4616 -4.2011 3 633.3919423 89502 303705119 695020 a-Alanine, conf. I
615694.0000 0.4616 -4.2011 3 633.3919423 89502 303705120 695019 a-Alanine, conf. I
615694.0000 0.4616 -5.3034 3 633.3919423 89502 303705120 695020 a-Alanine, conf. I
615732.2821 0.5739 -5.2388 3 616.9261381 89502 3036359 4 6258 4 a-Alanine, conf. I
615732.2821 0.5739 -4.0834 3 616.9261381 89502 3036359 4 6258 5 a-Alanine, conf. I
615732.2821 0.5739 -4.0834 3 616.9261381 89502 3036359 5 6258 4 a-Alanine, conf. I
615732.2821 0.5739 -5.2388 3 616.9261381 89502 3036359 5 6258 5 a-Alanine, conf. I
616014.8747 5.8934 -5.0071 3 497.9338429 89502 303712448 702149 a-Alanine, conf. I
616298.2230 0.4830 -5.3155 3 638.4450429 89502 303715021 704921 a-Alanine, conf. I
616298.2230 0.4830 -4.2223 3 638.4450429 89502 303715021 704922 a-Alanine, conf. I
616298.2230 0.4830 -4.2223 3 638.4450429 89502 303715022 704921 a-Alanine, conf. I
616298.2230 0.4830 -5.3155 3 638.4450429 89502 303715022 704922 a-Alanine, conf. I
616429.1843 0.5201 -5.2472 3 619.3501387 89502 3036458 6 6357 6 a-Alanine, conf. I
616429.1843 0.5201 -4.0975 3 619.3501387 89502 3036458 6 6357 7 a-Alanine, conf. I
616429.1843 0.5201 -4.0975 3 619.3501387 89502 3036458 7 6357 6 a-Alanine, conf. I
616429.1843 0.5201 -5.2472 3 619.3501387 89502 3036458 7 6357 7 a-Alanine, conf. I
616564.0371 16.4528 -5.0432 3 749.6192519 89502 303863254 853155 a-Alanine, conf. I
616675.6077 6.2683 -5.0124 3 514.8128435 89502 303722548 712249 a-Alanine, conf. I
616793.3021 0.8171 -4.7179 3 749.9468513 89502 303853650 843549 a-Alanine, conf. I
616838.4264 0.8241 -4.7178 3 749.9456513 89502 303853649 843550 a-Alanine, conf. I
616879.2246 0.5069 -5.3283 3 643.8602435 89502 303724923 714823 a-Alanine, conf. I
616879.2246 0.5069 -4.2447 3 643.8602435 89502 303724923 714824 a-Alanine, conf. I
616879.2246 0.5069 -4.2447 3 643.8602435 89502 303724924 714823 a-Alanine, conf. I
616879.2246 0.5069 -5.3283 3 643.8602435 89502 303724924 714824 a-Alanine, conf. I
617101.4967 17.5733 -5.0880 3 594.5890465 89502 303772750 762651 a-Alanine, conf. I
617118.7697 0.4801 -5.2560 3 622.1204393 89502 3036557 8 6456 8 a-Alanine, conf. I
617118.7697 0.4801 -4.1125 3 622.1204393 89502 3036557 8 6456 9 a-Alanine, conf. I
617118.7697 0.4801 -4.1125 3 622.1204393 89502 3036557 9 6456 8 a-Alanine, conf. I
617118.7697 0.4801 -5.2560 3 622.1204393 89502 3036557 9 6456 9 a-Alanine, conf. I
617166.5009 2.2357 -5.1404 3 390.9591393 89502 303651550 641451 a-Alanine, conf. I
617166.5031 2.2357 -5.1404 3 390.9591393 89502 303651650 641351 a-Alanine, conf. I
617380.2168 3.2622 -5.0590 3 427.6501405 89502 303671849 661750 a-Alanine, conf. I
617380.9973 3.2618 -5.0590 3 427.6501405 89502 303671949 661650 a-Alanine, conf. I
617432.5808 0.5325 -5.3415 3 649.6406441 89502 303734825 724725 a-Alanine, conf. I
617432.5808 0.5325 -4.2683 3 649.6406441 89502 303734825 724726 a-Alanine, conf. I
617432.5808 0.5325 -4.2683 3 649.6406441 89502 303734826 724725 a-Alanine, conf. I
617432.5808 0.5325 -5.3415 3 649.6406441 89502 303734826 724726 a-Alanine, conf. I
617799.9889 0.4540 -5.2654 3 625.2385399 89502 303665610 655510 a-Alanine, conf. I
617799.9889 0.4540 -4.1283 3 625.2385399 89502 303665610 655511 a-Alanine, conf. I
617799.9889 0.4540 -4.1283 3 625.2385399 89502 303665611 655510 a-Alanine, conf. I
617799.9889 0.4540 -5.2654 3 625.2385399 89502 303665611 655511 a-Alanine, conf. I
617952.8549 0.5593 -5.3553 3 655.7903447 89502 303744727 734627 a-Alanine, conf. I
617952.8549 0.5593 -4.2932 3 655.7903447 89502 303744727 734628 a-Alanine, conf. I
617952.8549 0.5593 -4.2932 3 655.7903447 89502 303744728 734627 a-Alanine, conf. I
617952.8549 0.5593 -5.3553 3 655.7903447 89502 303744728 734628 a-Alanine, conf. I
617954.8492 6.0137 -5.0256 3 531.8246441 89502 303732648 722349 a-Alanine, conf. I
618095.1587 1.3218 -4.8321 3 777.4916525 89502 303873553 863452 a-Alanine, conf. I
618207.1831 0.8256 -4.6574 3 739.1241507 89502 303843748 833647 a-Alanine, conf. I
618209.7540 0.8264 -4.6574 3 739.1241507 89502 303843747 833648 a-Alanine, conf. I
618433.3160 0.5870 -5.3695 3 662.3136453 89502 303754629 744529 a-Alanine, conf. I
618433.3160 0.5870 -4.3194 3 662.3136453 89502 303754629 744530 a-Alanine, conf. I
618433.3160 0.5870 -4.3194 3 662.3136453 89502 303754630 744529 a-Alanine, conf. I
618433.3160 0.5870 -5.3695 3 662.3136453 89502 303754630 744530 a-Alanine, conf. I
618471.5842 0.4410 -5.2753 3 628.7059405 89502 303675512 665412 a-Alanine, conf. I
618471.5842 0.4410 -4.1450 3 628.7059405 89502 303675512 665413 a-Alanine, conf. I
618471.5842 0.4410 -4.1450 3 628.7059405 89502 303675513 665412 a-Alanine, conf. I
618471.5842 0.4410 -5.2753 3 628.7059405 89502 303675513 665413 a-Alanine, conf. I
618699.0292 21.0499 -5.2164 3 897.1135567 89502 303943560 933459 a-Alanine, conf. I
618865.5553 0.6158 -4.3473 3 669.2157459 89502 303764531 754432 a-Alanine, conf. I
618865.5553 0.6158 -4.3473 3 669.2157459 89502 303764532 754431 a-Alanine, conf. I
619064.5485 0.8181 -4.6051 3 728.8266501 89502 303833846 823745 a-Alanine, conf. I
619064.6673 0.8182 -4.6051 3 728.8266501 89502 303833845 823746 a-Alanine, conf. I
619132.0475 0.4397 -5.2857 3 632.5243411 89502 303685414 675314 a-Alanine, conf. I
619132.0475 0.4397 -4.1626 3 632.5243411 89502 303685414 675315 a-Alanine, conf. I
619132.0475 0.4397 -4.1626 3 632.5243411 89502 303685415 675314 a-Alanine, conf. I
619132.0475 0.4397 -5.2857 3 632.5243411 89502 303685415 675315 a-Alanine, conf. I
619224.0726 1.7449 -5.2220 3 370.3040387 89502 303641351 631252 a-Alanine, conf. I
619224.0726 1.7449 -5.2220 3 370.3040387 89502 303641451 631152 a-Alanine, conf. I
619238.9518 0.6456 -4.3767 3 676.5026465 89502 303774433 764334 a-Alanine, conf. I
619238.9518 0.6456 -4.3767 3 676.5026465 89502 303774434 764333 a-Alanine, conf. I
619283.4351 0.8977 -4.8305 3 777.4613525 89502 303873552 863453 a-Alanine, conf. I
619443.7444 3.7355 -4.9364 3 789.7600531 89502 303883454 873355 a-Alanine, conf. I
619539.9106 0.6764 -4.4081 3 684.1814471 89502 303784335 774236 a-Alanine, conf. I
619539.9106 0.6764 -4.4081 3 684.1814471 89502 303784336 774235 a-Alanine, conf. I
619560.5175 0.7980 -4.5585 3 719.0155495 89502 303823944 813843 a-Alanine, conf. I
619560.5220 0.7980 -4.5585 3 719.0155495 89502 303823943 813844 a-Alanine, conf. I
619706.0790 0.6965 -5.2380 3 624.1469375 89502 3036261 1 6160 1 a-Alanine, conf. I
619706.0790 0.6965 -4.0744 3 624.1469375 89502 3036261 1 6160 2 a-Alanine, conf. I
619706.0790 0.6965 -4.0744 3 624.1469375 89502 3036261 2 6160 1 a-Alanine, conf. I
619706.0790 0.6965 -5.2380 3 624.1469375 89502 3036261 2 6160 2 a-Alanine, conf. I
619750.7425 0.7081 -4.4416 3 692.2606477 89502 303794237 784138 a-Alanine, conf. I
619750.7425 0.7081 -4.4416 3 692.2606477 89502 303794238 784137 a-Alanine, conf. I
619779.5683 0.4476 -5.2966 3 636.6955417 89502 303695316 685216 a-Alanine, conf. I
619779.5683 0.4476 -4.1812 3 636.6955417 89502 303695316 685217 a-Alanine, conf. I
619779.5683 0.4476 -4.1812 3 636.6955417 89502 303695317 685216 a-Alanine, conf. I
619779.5683 0.4476 -5.2966 3 636.6955417 89502 303695317 685217 a-Alanine, conf. I
619799.5647 0.7706 -4.5162 3 709.6635489 89502 303814042 803941 a-Alanine, conf. I
619799.5648 0.7706 -4.5162 3 709.6635489 89502 303814041 803942 a-Alanine, conf. I
619847.9591 0.7399 -4.4775 3 700.7505483 89502 303804139 794040 a-Alanine, conf. I
619847.9591 0.7399 -4.4775 3 700.7505483 89502 303804140 794039 a-Alanine, conf. I
620411.7793 0.6220 -5.2456 3 626.0652381 89502 3036360 3 6259 3 a-Alanine, conf. I
620411.7793 0.6220 -4.0873 3 626.0652381 89502 3036360 3 6259 4 a-Alanine, conf. I
620411.7793 0.6220 -4.0873 3 626.0652381 89502 3036360 4 6259 3 a-Alanine, conf. I
620411.7793 0.6220 -5.2456 3 626.0652381 89502 3036360 4 6259 4 a-Alanine, conf. I
620411.9689 0.4624 -5.3081 3 641.2217423 89502 303705218 695118 a-Alanine, conf. I
620411.9689 0.4624 -4.2008 3 641.2217423 89502 303705218 695119 a-Alanine, conf. I
620411.9689 0.4624 -4.2008 3 641.2217423 89502 303705219 695118 a-Alanine, conf. I
620411.9689 0.4624 -5.3081 3 641.2217423 89502 303705219 695119 a-Alanine, conf. I
620423.1551 1.4271 -5.3270 3 349.6089381 89502 303631152 621053 a-Alanine, conf. I
620423.1551 1.4271 -5.3270 3 349.6089381 89502 303631252 62 953 a-Alanine, conf. I
620434.2268 3.7064 -5.0449 3 443.9438411 89502 303681949 671850 a-Alanine, conf. I
620437.8504 3.7044 -5.0449 3 443.9438411 89502 303682049 671750 a-Alanine, conf. I
620699.9705 20.3915 -5.1113 3 627.1936477 89502 303792851 782752 a-Alanine, conf. I
621026.6228 0.4821 -5.3200 3 646.1052429 89502 303715120 705020 a-Alanine, conf. I
621026.6228 0.4821 -4.2214 3 646.1052429 89502 303715120 705021 a-Alanine, conf. I
621026.6228 0.4821 -4.2214 3 646.1052429 89502 303715121 705020 a-Alanine, conf. I
621026.6228 0.4821 -5.3200 3 646.1052429 89502 303715121 705021 a-Alanine, conf. I
621111.3977 0.5603 -5.2537 3 628.3281387 89502 3036459 5 6358 5 a-Alanine, conf. I
621111.3977 0.5603 -4.1010 3 628.3281387 89502 3036459 5 6358 6 a-Alanine, conf. I
621111.3977 0.5603 -4.1010 3 628.3281387 89502 3036459 6 6358 5 a-Alanine, conf. I
621111.3977 0.5603 -5.2537 3 628.3281387 89502 3036459 6 6358 6 a-Alanine, conf. I
621206.4036 2.5589 -5.1146 3 406.9288399 89502 303661650 651551 a-Alanine, conf. I
621206.4164 2.5589 -5.1146 3 406.9288399 89502 303661750 651451 a-Alanine, conf. I
621284.7393 0.8385 -4.7530 3 765.7971519 89502 303863651 853550 a-Alanine, conf. I
621376.9067 0.8451 -4.7529 3 765.7947519 89502 303863650 853551 a-Alanine, conf. I
621544.7224 10.7167 -5.0431 3 545.3634447 89502 303742549 732450 a-Alanine, conf. I
621580.4559 1.9849 -4.8750 3 793.8431531 89502 303883554 873453 a-Alanine, conf. I
621620.3514 0.5050 -5.3325 3 651.3489435 89502 303725022 714922 a-Alanine, conf. I
621620.3514 0.5050 -4.2431 3 651.3489435 89502 303725022 714923 a-Alanine, conf. I
621620.3514 0.5050 -4.2431 3 651.3489435 89502 303725023 714922 a-Alanine, conf. I
621620.3514 0.5050 -5.3325 3 651.3489435 89502 303725023 714923 a-Alanine, conf. I
621682.3853 4.4415 -5.0553 3 548.9377447 89502 303742748 732449 a-Alanine, conf. I
621804.1502 0.5121 -5.2623 3 630.9366393 89502 3036558 7 6457 7 a-Alanine, conf. I
621804.1502 0.5121 -4.1155 3 630.9366393 89502 3036558 7 6457 8 a-Alanine, conf. I
621804.1502 0.5121 -4.1155 3 630.9366393 89502 3036558 8 6457 7 a-Alanine, conf. I
621804.1502 0.5121 -5.2623 3 630.9366393 89502 3036558 8 6457 8 a-Alanine, conf. I
622189.2914 0.5301 -5.3455 3 656.9557441 89502 303734924 724824 a-Alanine, conf. I
622189.2914 0.5301 -4.2659 3 656.9557441 89502 303734924 724825 a-Alanine, conf. I
622189.2914 0.5301 -4.2659 3 656.9557441 89502 303734925 724824 a-Alanine, conf. I
622189.2914 0.5301 -5.3455 3 656.9557441 89502 303734925 724825 a-Alanine, conf. I
622489.0979 0.4781 -5.2714 3 633.8921399 89502 3036657 9 6556 9 a-Alanine, conf. I
622489.0979 0.4781 -4.1308 3 633.8921399 89502 3036657 9 655610 a-Alanine, conf. I
622489.0979 0.4781 -4.1308 3 633.8921399 89502 303665710 6556 9 a-Alanine, conf. I
622489.0979 0.4781 -5.2714 3 633.8921399 89502 303665710 655610 a-Alanine, conf. I
622728.7215 0.5566 -5.3590 3 662.9292447 89502 303744826 734726 a-Alanine, conf. I
622728.7215 0.5566 -4.2900 3 662.9292447 89502 303744826 734727 a-Alanine, conf. I
622728.7215 0.5566 -4.2900 3 662.9292447 89502 303744827 734726 a-Alanine, conf. I
622728.7215 0.5566 -5.3590 3 662.9292447 89502 303744827 734727 a-Alanine, conf. I
622930.1365 0.8454 -4.6896 3 754.7223513 89502 303853749 843648 a-Alanine, conf. I
622935.7326 0.8471 -4.6896 3 754.7222513 89502 303853748 843649 a-Alanine, conf. I
623071.4698 4.2095 -5.0343 3 460.4220417 89502 303692049 681950 a-Alanine, conf. I
623087.1898 4.2006 -5.0343 3 460.4220417 89502 303692149 681850 a-Alanine, conf. I
623165.1175 0.4578 -5.2811 3 637.1959405 89502 303675611 665511 a-Alanine, conf. I
623165.1175 0.4578 -4.1470 3 637.1959405 89502 303675611 665512 a-Alanine, conf. I
623165.1175 0.4578 -4.1470 3 637.1959405 89502 303675612 665511 a-Alanine, conf. I
623165.1175 0.4578 -5.2811 3 637.1959405 89502 303675612 665512 a-Alanine, conf. I
623232.8349 0.5842 -4.3155 3 669.2734453 89502 303754728 744629 a-Alanine, conf. I
623232.8349 0.5842 -4.3155 3 669.2734453 89502 303754729 744628 a-Alanine, conf. I
623301.4203 22.5811 -5.1264 3 660.6202489 89502 303812952 802853 a-Alanine, conf. I
623633.8974 16.3771 -5.1516 3 879.2402561 89502 303933559 923458 a-Alanine, conf. I
623694.4322 0.6128 -4.3423 3 675.9930459 89502 303764630 754531 a-Alanine, conf. I
623694.4322 0.6128 -4.3423 3 675.9930459 89502 303764631 754530 a-Alanine, conf. I
623736.5368 1.9958 -5.1864 3 386.1232393 89502 303651451 641352 a-Alanine, conf. I
623736.5370 1.9958 -5.1864 3 386.1232393 89502 303651551 641252 a-Alanine, conf. I
623785.8915 1.0581 -4.8723 3 793.7874531 89502 303883553 873454 a-Alanine, conf. I
623830.8648 0.4502 -5.2912 3 640.8497411 89502 303685513 675413 a-Alanine, conf. I
623830.8648 0.4502 -4.1641 3 640.8497411 89502 303685513 675414 a-Alanine, conf. I
623830.8648 0.4502 -4.1641 3 640.8497411 89502 303685514 675413 a-Alanine, conf. I
623830.8648 0.4502 -5.2912 3 640.8497411 89502 303685514 675414 a-Alanine, conf. I
623927.8930 0.8428 -4.6353 3 744.1874507 89502 303843847 833746 a-Alanine, conf. I
623928.1672 0.8429 -4.6353 3 744.1874507 89502 303843846 833747 a-Alanine, conf. I
624104.5028 0.6424 -4.3707 3 683.0933465 89502 303774532 764433 a-Alanine, conf. I
624104.5028 0.6424 -4.3707 3 683.0933465 89502 303774533 764432 a-Alanine, conf. I
624381.8585 0.7568 -5.2455 3 633.6044375 89502 3036262 0 6161 0 a-Alanine, conf. I
624381.8585 0.7568 -4.0792 3 633.6044375 89502 3036262 0 6161 1 a-Alanine, conf. I
624381.8585 0.7568 -4.0792 3 633.6044375 89502 3036262 1 6161 0 a-Alanine, conf. I
624381.8585 0.7568 -5.2455 3 633.6044375 89502 3036262 1 6161 1 a-Alanine, conf. I
624451.6366 0.6731 -4.4008 3 690.5808471 89502 303784434 774335 a-Alanine, conf. I
624451.6366 0.6731 -4.4008 3 690.5808471 89502 303784435 774334 a-Alanine, conf. I
624484.7296 0.4533 -5.3019 3 644.8551417 89502 303695415 685315 a-Alanine, conf. I
624484.7296 0.4533 -4.1821 3 644.8551417 89502 303695415 685316 a-Alanine, conf. I
624484.7296 0.4533 -4.1821 3 644.8551417 89502 303695416 685315 a-Alanine, conf. I
624484.7296 0.4533 -5.3019 3 644.8551417 89502 303695416 685316 a-Alanine, conf. I
624488.3208 3.1575 -4.9212 3 810.4224537 89502 303893555 883454 a-Alanine, conf. I
624523.5587 0.8256 -4.5872 3 734.1486501 89502 303833945 823844 a-Alanine, conf. I
624523.5697 0.8256 -4.5872 3 734.1486501 89502 303833944 823845 a-Alanine, conf. I
624620.2582 13.3819 -5.0433 3 785.9587531 89502 303883355 873256 a-Alanine, conf. I
624721.1809 0.7047 -4.4329 3 698.4629477 89502 303794336 784237 a-Alanine, conf. I
624721.1809 0.7047 -4.4329 3 698.4629477 89502 303794337 784236 a-Alanine, conf. I
624837.6388 0.7996 -4.5437 3 724.5763495 89502 303824043 813942 a-Alanine, conf. I
624837.6392 0.7996 -4.5437 3 724.5763495 89502 303824042 813943 a-Alanine, conf. I
624893.9895 0.7370 -4.4672 3 706.7485483 89502 303804238 794139 a-Alanine, conf. I
624893.9895 0.7370 -4.4672 3 706.7485483 89502 303804239 794138 a-Alanine, conf. I
624944.4996 0.7692 -4.5039 3 715.4486489 89502 303814140 804041 a-Alanine, conf. I
624944.4996 0.7692 -4.5039 3 715.4486489 89502 303814141 804040 a-Alanine, conf. I
624988.2643 2.9189 -5.0931 3 423.0964405 89502 303671750 661651 a-Alanine, conf. I
624988.3340 2.9189 -5.0931 3 423.0964405 89502 303671850 661551 a-Alanine, conf. I
625089.7756 0.6748 -5.2528 3 635.3626381 89502 3036361 2 6260 2 a-Alanine, conf. I
625089.7756 0.6748 -4.0917 3 635.3626381 89502 3036361 2 6260 3 a-Alanine, conf. I
625089.7756 0.6748 -4.0917 3 635.3626381 89502 3036361 3 6260 2 a-Alanine, conf. I
625089.7756 0.6748 -5.2528 3 635.3626381 89502 3036361 3 6260 3 a-Alanine, conf. I
625124.7807 0.4647 -5.3131 3 649.2142423 89502 303705317 695217 a-Alanine, conf. I
625124.7807 0.4647 -4.2011 3 649.2142423 89502 303705317 695218 a-Alanine, conf. I
625124.7807 0.4647 -4.2011 3 649.2142423 89502 303705318 695217 a-Alanine, conf. I
625124.7807 0.4647 -5.3131 3 649.2142423 89502 303705318 695218 a-Alanine, conf. I
625198.0742 4.7948 -5.0272 3 477.0795423 89502 303702149 692050 a-Alanine, conf. I
625261.7199 4.7585 -5.0271 3 477.0794423 89502 303702249 691950 a-Alanine, conf. I
625308.1814 1.5862 -5.2785 3 365.2652387 89502 303641252 631153 a-Alanine, conf. I
625308.1814 1.5862 -5.2785 3 365.2652387 89502 303641352 631053 a-Alanine, conf. I
625559.5012 23.7305 -5.1319 3 694.8685501 89502 303833053 822954 a-Alanine, conf. I
625670.6255 0.8756 -4.7896 3 781.8535525 89502 303873652 863551 a-Alanine, conf. I
625748.6965 0.4821 -5.3248 3 653.9292429 89502 303715219 705119 a-Alanine, conf. I
625748.6965 0.4821 -4.2211 3 653.9292429 89502 303715219 705120 a-Alanine, conf. I
625748.6965 0.4821 -4.2211 3 653.9292429 89502 303715220 705119 a-Alanine, conf. I
625748.6965 0.4821 -5.3248 3 653.9292429 89502 303715220 705120 a-Alanine, conf. I
625791.9246 0.6053 -5.2606 3 637.4648387 89502 3036460 4 6359 4 a-Alanine, conf. I
625791.9246 0.6053 -4.1050 3 637.4648387 89502 3036460 4 6359 5 a-Alanine, conf. I
625791.9246 0.6053 -4.1050 3 637.4648387 89502 3036460 5 6359 4 a-Alanine, conf. I
625791.9246 0.6053 -5.2606 3 637.4648387 89502 3036460 5 6359 5 a-Alanine, conf. I
625855.2144 0.8683 -4.7893 3 781.8487525 89502 303873651 863552 a-Alanine, conf. I
625887.3521 8.0599 -5.0303 3 528.0604441 89502 303732449 722350 a-Alanine, conf. I
626217.2914 6.3297 -4.9912 3 806.3511537 89502 303893455 883356 a-Alanine, conf. I
626353.6778 0.5036 -5.3371 3 659.0025435 89502 303725121 715021 a-Alanine, conf. I
626353.6778 0.5036 -4.2422 3 659.0025435 89502 303725121 715022 a-Alanine, conf. I
626353.6778 0.5036 -4.2422 3 659.0025435 89502 303725122 715021 a-Alanine, conf. I
626353.6778 0.5036 -5.3371 3 659.0025435 89502 303725122 715022 a-Alanine, conf. I
626487.6019 0.5491 -5.2690 3 639.9119393 89502 3036559 6 6458 6 a-Alanine, conf. I
626487.6019 0.5491 -4.1190 3 639.9119393 89502 3036559 6 6458 7 a-Alanine, conf. I
626487.6019 0.5491 -4.1190 3 639.9119393 89502 3036559 7 6458 6 a-Alanine, conf. I
626487.6019 0.5491 -5.2690 3 639.9119393 89502 3036559 7 6458 7 a-Alanine, conf. I
626490.7872 11.7649 -5.0871 3 861.6374555 89502 303923558 913457 a-Alanine, conf. I
626535.2255 5.0582 -4.9715 3 827.2395543 89502 303903556 893455 a-Alanine, conf. I
626653.0823 5.5155 -5.0237 3 493.9099429 89502 303712249 702150 a-Alanine, conf. I
626892.9249 5.3782 -5.0235 3 493.9097429 89502 303712349 702050 a-Alanine, conf. I
626936.3369 0.5279 -5.3499 3 664.4370441 89502 303735023 724923 a-Alanine, conf. I
626936.3369 0.5279 -4.2643 3 664.4370441 89502 303735023 724924 a-Alanine, conf. I
626936.3369 0.5279 -4.2643 3 664.4370441 89502 303735024 724923 a-Alanine, conf. I
626936.3369 0.5279 -5.3499 3 664.4370441 89502 303735024 724924 a-Alanine, conf. I
627024.5304 5.2806 -5.2128 3 538.0852441 89502 303732846 722547 a-Alanine, conf. I
627115.4086 6.5020 -5.0244 3 510.9063435 89502 303722349 712250 a-Alanine, conf. I
627175.9662 0.5069 -5.2778 3 642.7053399 89502 3036658 8 6557 8 a-Alanine, conf. I
627175.9662 0.5069 -4.1339 3 642.7053399 89502 3036658 8 6557 9 a-Alanine, conf. I
627175.9662 0.5069 -4.1339 3 642.7053399 89502 3036658 9 6557 8 a-Alanine, conf. I
627175.9662 0.5069 -5.2778 3 642.7053399 89502 3036658 9 6557 9 a-Alanine, conf. I
627344.0065 7.9027 -5.0267 3 844.3068549 89502 303913557 903456 a-Alanine, conf. I
627473.4158 2.4807 -5.1569 3 552.0440447 89502 303742847 732548 a-Alanine, conf. I
627492.5552 0.5540 -4.2877 3 670.2360447 89502 303744925 734826 a-Alanine, conf. I
627492.5552 0.5540 -4.2877 3 670.2360447 89502 303744926 734825 a-Alanine, conf. I
627597.5908 0.8640 -4.7228 3 770.5211519 89502 303863750 853649 a-Alanine, conf. I
627609.5487 0.8672 -4.7228 3 770.5208519 89502 303863749 853650 a-Alanine, conf. I
627856.0123 0.4789 -5.2872 3 645.8461405 89502 303675710 665610 a-Alanine, conf. I
627856.0123 0.4789 -4.1496 3 645.8461405 89502 303675710 665611 a-Alanine, conf. I
627856.0123 0.4789 -4.1496 3 645.8461405 89502 303675711 665610 a-Alanine, conf. I
627856.0123 0.4789 -5.2872 3 645.8461405 89502 303675711 665611 a-Alanine, conf. I
627952.3760 6.0265 -5.0234 3 510.9053435 89502 303722449 712150 a-Alanine, conf. I
628017.2959 0.5814 -4.3123 3 676.4030453 89502 303754827 744728 a-Alanine, conf. I
628017.2959 0.5814 -4.3123 3 676.4030453 89502 303754828 744727 a-Alanine, conf. I
628046.8593 2.2850 -5.1562 3 402.1470399 89502 303661551 651452 a-Alanine, conf. I
628046.8602 2.2850 -5.1562 3 402.1470399 89502 303661651 651352 a-Alanine, conf. I
628228.0096 23.5433 -5.1294 3 729.9394513 89502 303853154 843055 a-Alanine, conf. I
628479.7742 3.3187 -5.0756 3 439.4582411 89502 303681850 671751 a-Alanine, conf. I
628480.1297 3.3185 -5.0756 3 439.4582411 89502 303681950 671651 a-Alanine, conf. I
628480.4347 1.5113 -4.9165 3 810.3226537 89502 303893554 883455 a-Alanine, conf. I
628504.3574 0.6099 -4.3382 3 682.9423459 89502 303764729 754630 a-Alanine, conf. I
628504.3574 0.6099 -4.3382 3 682.9423459 89502 303764730 754629 a-Alanine, conf. I
628526.5394 0.4643 -5.2971 3 649.3359411 89502 303685612 675512 a-Alanine, conf. I
628526.5394 0.4643 -4.1662 3 649.3359411 89502 303685612 675513 a-Alanine, conf. I
628526.5394 0.4643 -4.1662 3 649.3359411 89502 303685613 675512 a-Alanine, conf. I
628526.5394 0.4643 -5.2971 3 649.3359411 89502 303685613 675513 a-Alanine, conf. I
628565.6198 6.5793 -5.0276 3 528.0564441 89502 303732549 722250 a-Alanine, conf. I
628752.2861 0.8666 -4.6663 3 759.7453513 89502 303853848 843747 a-Alanine, conf. I
628752.9083 0.8668 -4.6663 3 759.7453513 89502 303853847 843748 a-Alanine, conf. I
628946.0395 0.6393 -4.3657 3 689.8588465 89502 303774631 764532 a-Alanine, conf. I
628946.0395 0.6393 -4.3657 3 689.8588465 89502 303774632 764531 a-Alanine, conf. I
629186.1123 0.4617 -5.3076 3 653.1763417 89502 303695514 685414 a-Alanine, conf. I
629186.1123 0.4617 -4.1837 3 653.1763417 89502 303695514 685415 a-Alanine, conf. I
629186.1123 0.4617 -4.1837 3 653.1763417 89502 303695515 685414 a-Alanine, conf. I
629186.1123 0.4617 -5.3076 3 653.1763417 89502 303695515 685415 a-Alanine, conf. I
629249.3674 6.7273 -5.0376 3 545.3490447 89502 303742649 732350 a-Alanine, conf. I
629332.6843 0.6698 -4.3947 3 697.1582471 89502 303784533 774434 a-Alanine, conf. I
629332.6843 0.6698 -4.3947 3 697.1582471 89502 303784534 774433 a-Alanine, conf. I
629456.7505 0.8530 -4.6166 3 749.4764507 89502 303843946 833845 a-Alanine, conf. I
629456.7770 0.8530 -4.6166 3 749.4764507 89502 303843945 833846 a-Alanine, conf. I
629644.4779 7.7416 -5.2847 3 524.2245435 89502 303722845 712546 a-Alanine, conf. I
629652.0294 0.7013 -4.4255 3 704.8470477 89502 303794435 784336 a-Alanine, conf. I
629652.0294 0.7013 -4.4255 3 704.8470477 89502 303794436 784335 a-Alanine, conf. I
629706.1201 13.3587 -5.0739 3 576.7346459 89502 303762650 752551 a-Alanine, conf. I
629766.3389 0.7324 -5.2604 3 644.8181381 89502 3036362 1 6261 1 a-Alanine, conf. I
629766.3389 0.7324 -4.0966 3 644.8181381 89502 3036362 1 6261 2 a-Alanine, conf. I
629766.3389 0.7324 -4.0966 3 644.8181381 89502 3036362 2 6261 1 a-Alanine, conf. I
629766.3389 0.7324 -5.2604 3 644.8181381 89502 3036362 2 6261 2 a-Alanine, conf. I
629833.0137 0.4688 -5.3186 3 657.3691423 89502 303705416 695316 a-Alanine, conf. I
629833.0137 0.4688 -4.2021 3 657.3691423 89502 303705416 695317 a-Alanine, conf. I
629833.0137 0.4688 -4.2021 3 657.3691423 89502 303705417 695316 a-Alanine, conf. I
629833.0137 0.4688 -5.3186 3 657.3691423 89502 303705417 695317 a-Alanine, conf. I
629851.8262 0.8288 -4.5719 3 739.6818501 89502 303834044 823943 a-Alanine, conf. I
629851.8272 0.8288 -4.5719 3 739.6818501 89502 303834043 823944 a-Alanine, conf. I
629888.2715 0.7338 -4.4583 3 712.9333483 89502 303804337 794238 a-Alanine, conf. I
629888.2715 0.7338 -4.4583 3 712.9333483 89502 303804338 794237 a-Alanine, conf. I
629918.3758 0.9579 -4.8276 3 798.1184531 89502 303883653 873552 a-Alanine, conf. I
630020.6674 0.7667 -4.4933 3 721.4264489 89502 303814239 804140 a-Alanine, conf. I
630020.6674 0.7667 -4.4933 3 721.4264489 89502 303814240 804139 a-Alanine, conf. I
630021.3583 0.7990 -4.5310 3 730.3378495 89502 303824142 814041 a-Alanine, conf. I
630021.3584 0.7990 -4.5310 3 730.3378495 89502 303824141 814042 a-Alanine, conf. I
630027.5579 1.7938 -5.2372 3 381.1316393 89502 303651352 641253 a-Alanine, conf. I
630027.5579 1.7938 -5.2372 3 381.1316393 89502 303651452 641153 a-Alanine, conf. I
630280.7094 0.8944 -4.8271 3 798.1090531 89502 303883652 873553 a-Alanine, conf. I
630465.1854 0.4832 -5.3300 3 661.9164429 89502 303715318 705218 a-Alanine, conf. I
630465.1854 0.4832 -4.2215 3 661.9164429 89502 303715318 705219 a-Alanine, conf. I
630465.1854 0.4832 -4.2215 3 661.9164429 89502 303715319 705218 a-Alanine, conf. I
630465.1854 0.4832 -5.3300 3 661.9164429 89502 303715319 705219 a-Alanine, conf. I
630470.8606 0.6552 -5.2679 3 646.7599387 89502 3036461 3 6360 3 a-Alanine, conf. I
630470.8606 0.6552 -4.1094 3 646.7599387 89502 3036461 3 6360 4 a-Alanine, conf. I
630470.8606 0.6552 -4.1094 3 646.7599387 89502 3036461 4 6360 3 a-Alanine, conf. I
630470.8606 0.6552 -5.2679 3 646.7599387 89502 3036461 4 6360 4 a-Alanine, conf. I
630962.3098 1.0683 -5.1209 3 566.0959453 89502 303752848 742549 a-Alanine, conf. I
631080.1541 0.5029 -5.3421 3 666.8204435 89502 303725220 715120 a-Alanine, conf. I
631080.1541 0.5029 -4.2419 3 666.8204435 89502 303725220 715121 a-Alanine, conf. I
631080.1541 0.5029 -4.2419 3 666.8204435 89502 303725221 715120 a-Alanine, conf. I
631080.1541 0.5029 -5.3421 3 666.8204435 89502 303725221 715121 a-Alanine, conf. I
631169.2554 0.5910 -5.2760 3 649.0461393 89502 3036560 5 6459 5 a-Alanine, conf. I
631169.2554 0.5910 -4.1230 3 649.0461393 89502 3036560 5 6459 6 a-Alanine, conf. I
631169.2554 0.5910 -4.1230 3 649.0461393 89502 3036560 6 6459 5 a-Alanine, conf. I
631169.2554 0.5910 -5.2760 3 649.0461393 89502 3036560 6 6459 6 a-Alanine, conf. I
631185.6387 1.4850 -5.3417 3 360.0775387 89502 303641153 631054 a-Alanine, conf. I
631185.6387 1.4850 -5.3417 3 360.0775387 89502 303641253 63 954 a-Alanine, conf. I
631280.2085 5.8858 -5.0584 3 562.7599453 89502 303752749 742450 a-Alanine, conf. I
631640.0999 3.7639 -5.0618 3 456.0102417 89502 303691950 681851 a-Alanine, conf. I
631641.7960 3.7629 -5.0618 3 456.0102417 89502 303692050 681751 a-Alanine, conf. I
631674.9384 0.5261 -4.2634 3 672.0839441 89502 303735122 725023 a-Alanine, conf. I
631674.9384 0.5261 -4.2634 3 672.0839441 89502 303735123 725022 a-Alanine, conf. I
631860.7680 0.5406 -5.2846 3 651.6777399 89502 3036659 7 6558 7 a-Alanine, conf. I
631860.7680 0.5406 -4.1374 3 651.6777399 89502 3036659 7 6558 8 a-Alanine, conf. I
631860.7680 0.5406 -4.1374 3 651.6777399 89502 3036659 8 6558 7 a-Alanine, conf. I
631860.7680 0.5406 -5.2846 3 651.6777399 89502 3036659 8 6558 8 a-Alanine, conf. I
632043.1749 21.9272 -5.1234 3 765.8352525 89502 303873255 863156 a-Alanine, conf. I
632135.0717 2.6110 -5.1309 3 418.3724405 89502 303671651 661552 a-Alanine, conf. I
632135.0772 2.6110 -5.1309 3 418.3724405 89502 303671751 661452 a-Alanine, conf. I
632202.0447 0.8822 -4.7571 3 786.5216525 89502 303873751 863650 a-Alanine, conf. I
632227.1283 0.8874 -4.7571 3 786.5209525 89502 303873750 863651 a-Alanine, conf. I
632245.9298 0.5516 -4.2860 3 677.7097447 89502 303745024 734925 a-Alanine, conf. I
632245.9298 0.5516 -4.2860 3 677.7097447 89502 303745025 734924 a-Alanine, conf. I
632544.4975 0.5044 -5.2938 3 654.6561405 89502 3036758 9 6657 9 a-Alanine, conf. I
632544.4975 0.5044 -4.1527 3 654.6561405 89502 3036758 9 665710 a-Alanine, conf. I
632544.4975 0.5044 -4.1527 3 654.6561405 89502 303675810 6657 9 a-Alanine, conf. I
632544.4975 0.5044 -5.2938 3 654.6561405 89502 303675810 665710 a-Alanine, conf. I
632788.7387 0.5787 -4.3099 3 683.7012453 89502 303754926 744827 a-Alanine, conf. I
632788.7387 0.5787 -4.3099 3 683.7012453 89502 303754927 744826 a-Alanine, conf. I
633219.3689 0.4824 -5.3034 3 657.9825411 89502 303685711 675611 a-Alanine, conf. I
633219.3689 0.4824 -4.1688 3 657.9825411 89502 303685711 675612 a-Alanine, conf. I
633219.3689 0.4824 -4.1688 3 657.9825411 89502 303685712 675611 a-Alanine, conf. I
633219.3689 0.4824 -5.3034 3 657.9825411 89502 303685712 675612 a-Alanine, conf. I
633297.9933 0.6070 -4.3350 3 690.0622459 89502 303764828 754729 a-Alanine, conf. I
633297.9933 0.6070 -4.3350 3 690.0622459 89502 303764829 754728 a-Alanine, conf. I
633534.3288 0.8893 -4.6982 3 775.5011519 89502 303863849 853748 a-Alanine, conf. I
633535.7153 0.8899 -4.6982 3 775.5011519 89502 303863848 853749 a-Alanine, conf. I
633564.4756 2.5211 -4.9638 3 827.0658543 89502 303903555 893456 a-Alanine, conf. I
633767.0708 0.6363 -4.3615 3 696.7972465 89502 303774730 764631 a-Alanine, conf. I
633767.0708 0.6363 -4.3615 3 696.7972465 89502 303774731 764630 a-Alanine, conf. I
633884.1002 0.4733 -5.3136 3 661.6585417 89502 303695613 685513 a-Alanine, conf. I
633884.1002 0.4733 -4.1857 3 661.6585417 89502 303695613 685514 a-Alanine, conf. I
633884.1002 0.4733 -4.1857 3 661.6585417 89502 303695614 685513 a-Alanine, conf. I
633884.1002 0.4733 -5.3136 3 661.6585417 89502 303695614 685514 a-Alanine, conf. I
633976.1074 1.1516 -4.8674 3 814.5947537 89502 303893654 883553 a-Alanine, conf. I
634187.7346 0.6666 -4.3895 3 703.9112471 89502 303784632 774533 a-Alanine, conf. I
634187.7346 0.6666 -4.3895 3 703.9112471 89502 303784633 774532 a-Alanine, conf. I
634357.9750 0.8799 -4.6468 3 764.9994513 89502 303853947 843846 a-Alanine, conf. I
634358.0376 0.8799 -4.6468 3 764.9994513 89502 303853946 843847 a-Alanine, conf. I
634415.5018 4.2638 -5.0515 3 472.7478423 89502 303702050 691951 a-Alanine, conf. I
634423.0723 4.2592 -5.0515 3 472.7478423 89502 303702150 691851 a-Alanine, conf. I
634441.5238 0.7947 -5.2683 3 654.4315381 89502 3036363 0 6262 0 a-Alanine, conf. I
634441.5238 0.7947 -4.1021 3 654.4315381 89502 3036363 0 6262 1 a-Alanine, conf. I
634441.5238 0.7947 -4.1021 3 654.4315381 89502 3036363 1 6262 0 a-Alanine, conf. I
634441.5238 0.7947 -5.2683 3 654.4315381 89502 3036363 1 6262 1 a-Alanine, conf. I
634537.1606 0.4753 -5.3244 3 665.6857423 89502 303705515 695415 a-Alanine, conf. I
634537.1606 0.4753 -4.2036 3 665.6857423 89502 303705515 695416 a-Alanine, conf. I
634537.1606 0.4753 -4.2036 3 665.6857423 89502 303705516 695415 a-Alanine, conf. I
634537.1606 0.4753 -5.3244 3 665.6857423 89502 303705516 695416 a-Alanine, conf. I
634549.6303 0.6979 -4.4192 3 711.4103477 89502 303794534 784435 a-Alanine, conf. I
634549.6303 0.6979 -4.4192 3 711.4103477 89502 303794535 784434 a-Alanine, conf. I
634567.7816 2.0448 -5.2021 3 397.2055399 89502 303661452 651353 a-Alanine, conf. I
634567.7817 2.0448 -5.2021 3 397.2055399 89502 303661552 651253 a-Alanine, conf. I
634592.8144 10.2210 -5.0528 3 823.1391543 89502 303903456 893357 a-Alanine, conf. I
634672.7690 0.9271 -4.8665 3 814.5768537 89502 303893653 883554 a-Alanine, conf. I
634839.5731 0.7303 -4.4506 3 719.3014483 89502 303804436 794337 a-Alanine, conf. I
634839.5731 0.7303 -4.4506 3 719.3014483 89502 303804437 794336 a-Alanine, conf. I
634840.6534 0.8580 -4.6007 3 754.9805507 89502 303844045 833944 a-Alanine, conf. I
634840.6558 0.8580 -4.6007 3 754.9805507 89502 303844044 833945 a-Alanine, conf. I
635040.5064 0.7635 -4.4842 3 727.5928489 89502 303814338 804239 a-Alanine, conf. I
635040.5064 0.7635 -4.4842 3 727.5928489 89502 303814339 804238 a-Alanine, conf. I
635077.4453 0.8291 -4.5587 3 745.4186501 89502 303834142 824043 a-Alanine, conf. I
635077.4453 0.8291 -4.5587 3 745.4186501 89502 303834143 824042 a-Alanine, conf. I
635129.9325 0.7969 -4.5201 3 736.2945495 89502 303824240 814141 a-Alanine, conf. I
635129.9325 0.7969 -4.5201 3 736.2945495 89502 303824241 814140 a-Alanine, conf. I
635148.2847 0.7100 -5.2756 3 656.2133387 89502 3036462 2 6361 2 a-Alanine, conf. I
635148.2847 0.7100 -4.1144 3 656.2133387 89502 3036462 2 6361 3 a-Alanine, conf. I
635148.2847 0.7100 -4.1144 3 656.2133387 89502 3036462 3 6361 2 a-Alanine, conf. I
635148.2847 0.7100 -5.2756 3 656.2133387 89502 3036462 3 6361 3 a-Alanine, conf. I
635176.7204 0.4860 -5.3356 3 670.0662429 89502 303715417 705317 a-Alanine, conf. I
635176.7204 0.4860 -4.2225 3 670.0662429 89502 303715417 705318 a-Alanine, conf. I
635176.7204 0.4860 -4.2225 3 670.0662429 89502 303715418 705317 a-Alanine, conf. I
635176.7204 0.4860 -5.3356 3 670.0662429 89502 303715418 705318 a-Alanine, conf. I
635800.5877 0.5032 -5.3474 3 674.8019435 89502 303725319 715219 a-Alanine, conf. I
635800.5877 0.5032 -4.2423 3 674.8019435 89502 303725319 715220 a-Alanine, conf. I
635800.5877 0.5032 -4.2423 3 674.8019435 89502 303725320 715219 a-Alanine, conf. I
635800.5877 0.5032 -5.3474 3 674.8019435 89502 303725320 715220 a-Alanine, conf. I
635849.2198 0.6378 -5.2835 3 658.3389393 89502 3036561 4 6460 4 a-Alanine, conf. I
635849.2198 0.6378 -4.1276 3 658.3389393 89502 3036561 4 6460 5 a-Alanine, conf. I
635849.2198 0.6378 -4.1276 3 658.3389393 89502 3036561 5 6460 4 a-Alanine, conf. I
635849.2198 0.6378 -5.2835 3 658.3389393 89502 3036561 5 6460 5 a-Alanine, conf. I
635977.2302 2.9742 -5.1098 3 434.7962411 89502 303681751 671652 a-Alanine, conf. I
635977.2609 2.9742 -5.1098 3 434.7962411 89502 303681851 671552 a-Alanine, conf. I
636085.3717 1.6396 -5.2937 3 375.9880393 89502 303651253 641154 a-Alanine, conf. I
636085.3717 1.6396 -5.2937 3 375.9880393 89502 303651353 641054 a-Alanine, conf. I
636232.4165 16.5199 -5.1075 3 608.9310471 89502 303782751 772652 a-Alanine, conf. I
636406.1296 0.5249 -4.2632 3 679.8954441 89502 303735221 725122 a-Alanine, conf. I
636406.1296 0.5249 -4.2632 3 679.8954441 89502 303735222 725121 a-Alanine, conf. I
636437.4211 9.8236 -5.0565 3 559.0174453 89502 303752550 742451 a-Alanine, conf. I
636543.6504 0.5792 -5.2918 3 660.8093399 89502 3036660 6 6559 6 a-Alanine, conf. I
636543.6504 0.5792 -4.1415 3 660.8093399 89502 3036660 6 6559 7 a-Alanine, conf. I
636543.6504 0.5792 -4.1415 3 660.8093399 89502 3036660 7 6559 6 a-Alanine, conf. I
636543.6504 0.5792 -5.2918 3 660.8093399 89502 3036660 7 6559 7 a-Alanine, conf. I
636730.1226 4.8357 -5.0446 3 489.6662429 89502 303712150 702051 a-Alanine, conf. I
636733.2668 0.9019 -4.7925 3 802.7250531 89502 303883752 873651 a-Alanine, conf. I
636761.7190 4.8166 -5.0445 3 489.6662429 89502 303712250 701951 a-Alanine, conf. I
636784.9117 0.9084 -4.7924 3 802.7236531 89502 303883751 873652 a-Alanine, conf. I
636898.2342 23.9563 -5.3036 3 954.8587585 89502 303973662 963561 a-Alanine, conf. I
636990.1723 0.5495 -4.2851 3 685.3494447 89502 303745123 735024 a-Alanine, conf. I
636990.1723 0.5495 -4.2851 3 685.3494447 89502 303745124 735023 a-Alanine, conf. I
637094.8459 3.2251 -5.1031 3 580.2466459 89502 303762849 752550 a-Alanine, conf. I
637230.7673 0.5348 -5.3007 3 663.6256405 89502 3036759 8 6658 8 a-Alanine, conf. I
637230.7673 0.5348 -4.1563 3 663.6256405 89502 3036759 8 6658 9 a-Alanine, conf. I
637230.7673 0.5348 -4.1563 3 663.6256405 89502 3036759 9 6658 8 a-Alanine, conf. I
637230.7673 0.5348 -5.3007 3 663.6256405 89502 3036759 9 6658 9 a-Alanine, conf. I
637548.8736 0.5762 -4.3082 3 691.1669453 89502 303755025 744926 a-Alanine, conf. I
637548.8736 0.5762 -4.3082 3 691.1669453 89502 303755026 744925 a-Alanine, conf. I
637588.0334 19.0878 -5.1196 3 802.5596537 89502 303893356 883257 a-Alanine, conf. I
637760.7596 1.5715 -4.9094 3 831.2865543 89502 303903655 893554 a-Alanine, conf. I
637909.6066 0.5047 -5.3101 3 666.7891411 89502 303685810 675710 a-Alanine, conf. I
637909.6066 0.5047 -4.1719 3 666.7891411 89502 303685810 675711 a-Alanine, conf. I
637909.6066 0.5047 -4.1719 3 666.7891411 89502 303685811 675710 a-Alanine, conf. I
637909.6066 0.5047 -5.3101 3 666.7891411 89502 303685811 675711 a-Alanine, conf. I
638077.5569 0.6042 -4.3326 3 697.3514459 89502 303764927 754828 a-Alanine, conf. I
638077.5569 0.6042 -4.3326 3 697.3514459 89502 303764928 754827 a-Alanine, conf. I
638270.0359 0.9109 -4.7310 3 791.4556525 89502 303873850 863749 a-Alanine, conf. I
638273.0705 0.9120 -4.7310 3 791.4555525 89502 303873849 863750 a-Alanine, conf. I
638463.7167 5.5163 -5.0411 3 506.7595435 89502 303722250 712151 a-Alanine, conf. I
638570.4934 0.6333 -4.3582 3 703.9069465 89502 303774829 764730 a-Alanine, conf. I
638570.4934 0.6333 -4.3582 3 703.9069465 89502 303774830 764729 a-Alanine, conf. I
638579.0207 0.4885 -5.3201 3 670.3013417 89502 303695712 685612 a-Alanine, conf. I
638579.0207 0.4885 -4.1884 3 670.3013417 89502 303695712 685613 a-Alanine, conf. I
638579.0207 0.4885 -4.1884 3 670.3013417 89502 303695713 685612 a-Alanine, conf. I
638579.0207 0.4885 -5.3201 3 670.3013417 89502 303695713 685613 a-Alanine, conf. I
638586.7888 5.4414 -5.0409 3 506.7594435 89502 303722350 712051 a-Alanine, conf. I
638913.1573 2.3356 -5.1725 3 413.4844405 89502 303671552 661453 a-Alanine, conf. I
638913.1577 2.3356 -5.1725 3 413.4844405 89502 303671652 661353 a-Alanine, conf. I
639020.6114 0.6634 -4.3853 3 710.8382471 89502 303784731 774632 a-Alanine, conf. I
639020.6114 0.6634 -4.3853 3 710.8382471 89502 303784732 774631 a-Alanine, conf. I
639054.8598 7.6774 -5.0459 3 541.4433447 89502 303742450 732351 a-Alanine, conf. I
639071.6554 0.9902 -4.9077 3 831.2531543 89502 303903654 893555 a-Alanine, conf. I
639224.8723 0.9061 -4.6777 3 780.7182519 89502 303863948 853847 a-Alanine, conf. I
639225.0174 0.9062 -4.6777 3 780.7182519 89502 303863947 853848 a-Alanine, conf. I
639237.6421 0.4846 -5.3305 3 674.1637423 89502 303705614 695514 a-Alanine, conf. I
639237.6421 0.4846 -4.2057 3 674.1637423 89502 303705614 695515 a-Alanine, conf. I
639237.6421 0.4846 -4.2057 3 674.1637423 89502 303705615 695514 a-Alanine, conf. I
639237.6421 0.4846 -5.3305 3 674.1637423 89502 303705615 695515 a-Alanine, conf. I
639338.7441 4.3693 -5.0150 3 844.0148549 89502 303913556 903457 a-Alanine, conf. I
639394.2494 6.3926 -5.0413 3 524.0211441 89502 303732350 722251 a-Alanine, conf. I
639419.0986 0.6946 -4.4139 3 718.1504477 89502 303794633 784534 a-Alanine, conf. I
639419.0986 0.6946 -4.4139 3 718.1504477 89502 303794634 784533 a-Alanine, conf. I
639544.1443 3.3770 -5.0928 3 451.4149417 89502 303691851 681752 a-Alanine, conf. I
639544.3048 3.3769 -5.0928 3 451.4149417 89502 303691951 681652 a-Alanine, conf. I
639754.8509 0.7268 -4.4442 3 725.8500483 89502 303804535 794436 a-Alanine, conf. I
639754.8509 0.7268 -4.4442 3 725.8500483 89502 303804536 794435 a-Alanine, conf. I
639802.5131 0.8871 -4.6302 3 770.4728513 89502 303854046 843945 a-Alanine, conf. I
639802.5189 0.8872 -4.6302 3 770.4728513 89502 303854045 843946 a-Alanine, conf. I
639824.2610 0.7695 -5.2837 3 665.8248387 89502 3036463 1 6362 1 a-Alanine, conf. I
639824.2610 0.7695 -4.1199 3 665.8248387 89502 3036463 1 6362 2 a-Alanine, conf. I
639824.2610 0.7695 -4.1199 3 665.8248387 89502 3036463 2 6362 1 a-Alanine, conf. I
639824.2610 0.7695 -5.2837 3 665.8248387 89502 3036463 2 6362 2 a-Alanine, conf. I
639839.9762 6.1219 -5.0407 3 524.0206441 89502 303732450 722151 a-Alanine, conf. I
639883.8400 0.4908 -5.3415 3 678.3781429 89502 303715516 705416 a-Alanine, conf. I
639883.8400 0.4908 -4.2240 3 678.3781429 89502 303715516 705417 a-Alanine, conf. I
639883.8400 0.4908 -4.2240 3 678.3781429 89502 303715517 705416 a-Alanine, conf. I
639883.8400 0.4908 -5.3415 3 678.3781429 89502 303715517 705417 a-Alanine, conf. I
640013.6834 0.7601 -4.4763 3 733.9441489 89502 303814437 804338 a-Alanine, conf. I
640013.6834 0.7601 -4.4763 3 733.9441489 89502 303814438 804337 a-Alanine, conf. I
640111.5876 0.8596 -4.5870 3 760.6914507 89502 303844144 834043 a-Alanine, conf. I
640111.5878 0.8596 -4.5870 3 760.6914507 89502 303844143 834044 a-Alanine, conf. I
640177.1717 0.7939 -4.5106 3 742.4416495 89502 303824339 814240 a-Alanine, conf. I
640177.1717 0.7939 -4.5106 3 742.4416495 89502 303824340 814239 a-Alanine, conf. I
640220.8867 0.8276 -4.5474 3 751.3531501 89502 303834241 824142 a-Alanine, conf. I
640220.8867 0.8276 -4.5474 3 751.3531501 89502 303834242 824141 a-Alanine, conf. I
640515.6664 0.5048 -4.2433 3 682.9464435 89502 303725418 715319 a-Alanine, conf. I
640515.6664 0.5048 -4.2433 3 682.9464435 89502 303725419 715318 a-Alanine, conf. I
640527.5858 0.6896 -5.2913 3 667.7902393 89502 3036562 3 6461 3 a-Alanine, conf. I
640527.5858 0.6896 -4.1327 3 667.7902393 89502 3036562 3 6461 4 a-Alanine, conf. I
640527.5858 0.6896 -4.1327 3 667.7902393 89502 3036562 4 6461 3 a-Alanine, conf. I
640527.5858 0.6896 -5.2913 3 667.7902393 89502 3036562 4 6461 4 a-Alanine, conf. I
640545.4274 6.7865 -5.0443 3 541.4413447 89502 303742550 732251 a-Alanine, conf. I
640824.2394 1.8448 -5.2529 3 392.1088399 89502 303661353 651254 a-Alanine, conf. I
640824.2394 1.8448 -5.2529 3 392.1088399 89502 303661453 651154 a-Alanine, conf. I
640977.7918 7.2222 -5.0525 3 559.0098453 89502 303752650 742351 a-Alanine, conf. I
641039.3428 19.9538 -5.1407 3 641.9498483 89502 303802852 792753 a-Alanine, conf. I
641130.7888 0.5244 -4.2635 3 687.8710441 89502 303735320 725221 a-Alanine, conf. I
641130.7888 0.5244 -4.2635 3 687.8710441 89502 303735321 725220 a-Alanine, conf. I
641140.8811 2.3745 -4.9539 3 848.1993549 89502 303913656 903555 a-Alanine, conf. I
641176.5584 0.9289 -4.8291 3 819.1329537 89502 303893753 883652 a-Alanine, conf. I
641224.7367 0.6228 -5.2994 3 670.0996399 89502 3036661 5 6560 5 a-Alanine, conf. I
641224.7367 0.6228 -4.1462 3 670.0996399 89502 3036661 5 6560 6 a-Alanine, conf. I
641224.7367 0.6228 -4.1462 3 670.0996399 89502 3036661 6 6560 5 a-Alanine, conf. I
641224.7367 0.6228 -5.2994 3 670.0996399 89502 3036661 6 6560 6 a-Alanine, conf. I
641280.9061 0.9314 -4.8290 3 819.1302537 89502 303893752 883653 a-Alanine, conf. I
641726.4060 0.5478 -4.2849 3 693.1543447 89502 303745222 735123 a-Alanine, conf. I
641726.4060 0.5478 -4.2849 3 693.1543447 89502 303745223 735122 a-Alanine, conf. I
641914.9861 0.5700 -5.3080 3 672.7544405 89502 3036760 7 6659 7 a-Alanine, conf. I
641914.9861 0.5700 -4.1605 3 672.7544405 89502 3036760 7 6659 8 a-Alanine, conf. I
641914.9861 0.5700 -4.1605 3 672.7544405 89502 3036760 8 6659 7 a-Alanine, conf. I
641914.9861 0.5700 -5.3080 3 672.7544405 89502 3036760 8 6659 8 a-Alanine, conf. I
641968.4525 6.9673 -5.0681 3 576.7085459 89502 303762750 752451 a-Alanine, conf. I
642128.4941 18.7836 -5.2378 3 936.4191579 89502 303963661 953560 a-Alanine, conf. I
642299.1413 0.5738 -4.3073 3 698.7991453 89502 303755124 745025 a-Alanine, conf. I
642299.1413 0.5738 -4.3073 3 698.7991453 89502 303755125 745024 a-Alanine, conf. I
642597.4681 0.5318 -5.3172 3 675.7555411 89502 3036859 9 6758 9 a-Alanine, conf. I
642597.4681 0.5318 -4.1756 3 675.7555411 89502 3036859 9 675810 a-Alanine, conf. I
642597.4681 0.5318 -4.1756 3 675.7555411 89502 303685910 6758 9 a-Alanine, conf. I
642597.4681 0.5318 -5.3172 3 675.7555411 89502 303685910 675810 a-Alanine, conf. I
642799.4543 3.8239 -5.0793 3 468.2247423 89502 303701951 691852 a-Alanine, conf. I
642800.2405 3.8234 -5.0793 3 468.2247423 89502 303702051 691752 a-Alanine, conf. I
642844.9050 0.6015 -4.3309 3 704.8087459 89502 303765026 754927 a-Alanine, conf. I
642844.9050 0.6015 -4.3309 3 704.8087459 89502 303765027 754926 a-Alanine, conf. I
642954.6096 0.9313 -4.7647 3 807.6097531 89502 303883851 873750 a-Alanine, conf. I
642961.1337 0.9333 -4.7647 3 807.6095531 89502 303883850 873751 a-Alanine, conf. I
643045.2380 2.6643 -5.1476 3 429.9653411 89502 303681652 671553 a-Alanine, conf. I
643045.2403 2.6643 -5.1476 3 429.9653411 89502 303681752 671453 a-Alanine, conf. I
643271.1534 0.5078 -5.3269 3 679.1044417 89502 303695811 685711 a-Alanine, conf. I
643271.1534 0.5078 -4.1916 3 679.1044417 89502 303695811 685712 a-Alanine, conf. I
643271.1534 0.5078 -4.1916 3 679.1044417 89502 303695812 685711 a-Alanine, conf. I
643271.1534 0.5078 -5.3269 3 679.1044417 89502 303695812 685712 a-Alanine, conf. I
643358.7160 0.6304 -4.3557 3 711.1867465 89502 303774928 764829 a-Alanine, conf. I
643358.7160 0.6304 -4.3557 3 711.1867465 89502 303774929 764828 a-Alanine, conf. I
643551.9331 1.1805 -4.9510 3 848.1385549 89502 303913655 903556 a-Alanine, conf. I
643834.4658 0.6604 -4.3819 3 717.9374471 89502 303784830 774731 a-Alanine, conf. I
643834.4658 0.6604 -4.3819 3 717.9374471 89502 303784831 774730 a-Alanine, conf. I
643914.7816 3.7599 -5.0016 3 865.3408555 89502 303923657 913556 a-Alanine, conf. I
643934.8178 0.4972 -4.2084 3 682.8026423 89502 303705713 695614 a-Alanine, conf. I
643934.8178 0.4972 -4.2084 3 682.8026423 89502 303705714 695613 a-Alanine, conf. I
644054.7914 0.9316 -4.7094 3 796.6335525 89502 303873949 863848 a-Alanine, conf. I
644055.1219 0.9317 -4.7094 3 796.6335525 89502 303873948 863849 a-Alanine, conf. I
644264.6024 0.6914 -4.4095 3 725.0655477 89502 303794732 784633 a-Alanine, conf. I
644264.6024 0.6914 -4.4095 3 725.0655477 89502 303794733 784632 a-Alanine, conf. I
644294.5143 23.2200 -5.1695 3 675.7888495 89502 303822953 812854 a-Alanine, conf. I
644498.8413 0.8339 -5.2922 3 675.5942387 89502 3036464 0 6363 0 a-Alanine, conf. I
644498.8413 0.8339 -4.1259 3 675.5942387 89502 3036464 0 6363 1 a-Alanine, conf. I
644498.8413 0.8339 -4.1259 3 675.5942387 89502 3036464 1 6363 0 a-Alanine, conf. I
644498.8413 0.8339 -5.2922 3 675.5942387 89502 3036464 1 6363 1 a-Alanine, conf. I
644587.0044 0.4981 -4.2262 3 686.8516429 89502 303715615 705516 a-Alanine, conf. I
644587.0044 0.4981 -4.2262 3 686.8516429 89502 303715616 705515 a-Alanine, conf. I
644639.6965 0.7234 -4.4387 3 732.5766483 89502 303804634 794535 a-Alanine, conf. I
644639.6965 0.7234 -4.4387 3 732.5766483 89502 303804635 794534 a-Alanine, conf. I
644735.6442 0.9160 -4.6603 3 786.1593519 89502 303864047 853946 a-Alanine, conf. I
644735.6580 0.9160 -4.6603 3 786.1593519 89502 303864046 853947 a-Alanine, conf. I
644947.8347 0.7565 -4.4697 3 740.4773489 89502 303814536 804437 a-Alanine, conf. I
644947.8347 0.7565 -4.4697 3 740.4773489 89502 303814537 804436 a-Alanine, conf. I
645122.5198 0.8902 -4.6160 3 776.1565513 89502 303854145 844044 a-Alanine, conf. I
645122.5203 0.8902 -4.6160 3 776.1565513 89502 303854144 844045 a-Alanine, conf. I
645169.8757 15.5195 -5.1225 3 840.1169549 89502 303913457 903358 a-Alanine, conf. I
645173.7468 0.7905 -4.5026 3 748.7754495 89502 303824438 814339 a-Alanine, conf. I
645173.7468 0.7905 -4.5026 3 748.7754495 89502 303824439 814338 a-Alanine, conf. I
645204.4281 0.7463 -5.2995 3 677.3996393 89502 3036563 2 6462 2 a-Alanine, conf. I
645204.4281 0.7463 -4.1382 3 677.3996393 89502 3036563 2 6462 3 a-Alanine, conf. I
645204.4281 0.7463 -4.1382 3 677.3996393 89502 3036563 3 6462 2 a-Alanine, conf. I
645204.4281 0.7463 -5.2995 3 677.3996393 89502 3036563 3 6462 3 a-Alanine, conf. I
645225.9774 0.5082 -4.2449 3 691.2534435 89502 303725517 715418 a-Alanine, conf. I
645225.9774 0.5082 -4.2449 3 691.2534435 89502 303725518 715417 a-Alanine, conf. I
645272.9508 13.6161 -5.1721 3 918.2498573 89502 303953660 943559 a-Alanine, conf. I
645292.5721 0.8588 -4.5753 3 766.6025507 89502 303844242 834143 a-Alanine, conf. I
645292.5721 0.8588 -4.5753 3 766.6025507 89502 303844243 834142 a-Alanine, conf. I
645297.5128 0.8250 -4.5377 3 757.4801501 89502 303834340 824241 a-Alanine, conf. I
645297.5128 0.8250 -4.5377 3 757.4801501 89502 303834341 824240 a-Alanine, conf. I
645314.7371 5.2489 -5.0991 3 594.5063465 89502 303772850 762551 a-Alanine, conf. I
645389.5871 2.0956 -5.2184 3 408.4374405 89502 303671453 661354 a-Alanine, conf. I
645389.5872 2.0956 -5.2184 3 408.4374405 89502 303671553 661254 a-Alanine, conf. I
645509.8090 0.9787 -4.8671 3 835.7472543 89502 303903754 893653 a-Alanine, conf. I
645696.4237 4.3227 -5.0693 3 485.2213429 89502 303712051 701952 a-Alanine, conf. I
645700.0300 4.3205 -5.0693 3 485.2213429 89502 303712151 701852 a-Alanine, conf. I
645716.6420 0.9569 -4.8668 3 835.7418543 89502 303903753 893654 a-Alanine, conf. I
645790.2515 5.9703 -5.0534 3 882.7213561 89502 303933658 923557 a-Alanine, conf. I
645849.6645 0.5251 -4.2646 3 696.0100441 89502 303735419 725320 a-Alanine, conf. I
645849.6645 0.5251 -4.2646 3 696.0100441 89502 303735420 725319 a-Alanine, conf. I
645866.2519 12.1329 -5.0874 3 590.8034465 89502 303772651 762552 a-Alanine, conf. I
645904.1305 0.6715 -5.3073 3 679.5486399 89502 3036662 4 6561 4 a-Alanine, conf. I
645904.1305 0.6715 -4.1513 3 679.5486399 89502 3036662 4 6561 5 a-Alanine, conf. I
645904.1305 0.6715 -4.1513 3 679.5486399 89502 3036662 5 6561 4 a-Alanine, conf. I
645904.1305 0.6715 -5.3073 3 679.5486399 89502 3036662 5 6561 5 a-Alanine, conf. I
646228.7143 7.3720 -5.0714 3 861.1655555 89502 303923557 913458 a-Alanine, conf. I
646383.8746 9.2361 -5.1102 3 900.3534567 89502 303943659 933558 a-Alanine, conf. I
646445.4196 25.7908 -5.1901 3 710.4464507 89502 303843054 832955 a-Alanine, conf. I
646455.5852 0.5468 -4.2853 3 701.1237447 89502 303745321 735222 a-Alanine, conf. I
646455.5852 0.5468 -4.2853 3 701.1237447 89502 303745322 735221 a-Alanine, conf. I
646597.2929 0.6104 -5.3157 3 682.0421405 89502 3036761 6 6660 6 a-Alanine, conf. I
646597.2929 0.6104 -4.1651 3 682.0421405 89502 3036761 6 6660 7 a-Alanine, conf. I
646597.2929 0.6104 -4.1651 3 682.0421405 89502 3036761 7 6660 6 a-Alanine, conf. I
646597.2929 0.6104 -5.3157 3 682.0421405 89502 3036761 7 6660 7 a-Alanine, conf. I
646858.5122 1.6960 -5.3093 3 386.8605399 89502 303661254 651155 a-Alanine, conf. I
646858.5122 1.6960 -5.3093 3 386.8605399 89502 303661354 651055 a-Alanine, conf. I
646942.0664 3.0308 -5.1270 3 446.6450417 89502 303691752 681653 a-Alanine, conf. I
646942.0798 3.0308 -5.1270 3 446.6450417 89502 303691852 681553 a-Alanine, conf. I
647040.7612 0.5718 -4.3070 3 706.5971453 89502 303755223 745124 a-Alanine, conf. I
647040.7612 0.5718 -4.3070 3 706.5971453 89502 303755224 745123 a-Alanine, conf. I
647283.1367 0.5637 -5.3246 3 684.8813411 89502 3036860 8 6759 8 a-Alanine, conf. I
647283.1367 0.5637 -4.1798 3 684.8813411 89502 3036860 8 6759 9 a-Alanine, conf. I
647283.1367 0.5637 -4.1798 3 684.8813411 89502 3036860 9 6759 8 a-Alanine, conf. I
647283.1367 0.5637 -5.3246 3 684.8813411 89502 3036860 9 6759 9 a-Alanine, conf. I
647582.0667 0.9508 -4.7993 3 823.9645537 89502 303893852 883751 a-Alanine, conf. I
647595.8441 0.9543 -4.7993 3 823.9641537 89502 303893851 883752 a-Alanine, conf. I
647601.6011 0.5989 -4.3299 3 712.4332459 89502 303765125 755026 a-Alanine, conf. I
647601.6011 0.5989 -4.3299 3 712.4332459 89502 303765126 755025 a-Alanine, conf. I
647960.7368 0.5316 -4.1953 3 688.0675417 89502 303695910 685811 a-Alanine, conf. I
647960.7368 0.5316 -4.1953 3 688.0675417 89502 303695911 685810 a-Alanine, conf. I
648133.7535 0.6276 -4.3540 3 718.6354465 89502 303775027 764928 a-Alanine, conf. I
648133.7535 0.6276 -4.3540 3 718.6354465 89502 303775028 764927 a-Alanine, conf. I
648163.3319 27.1766 -5.2008 3 745.9224519 89502 303863155 853056 a-Alanine, conf. I
648171.7471 4.8868 -5.0626 3 502.3999435 89502 303722151 712052 a-Alanine, conf. I
648187.2411 4.8769 -5.0626 3 502.3999435 89502 303722251 711952 a-Alanine, conf. I
648241.4140 1.7229 -4.9967 3 865.2328555 89502 303923656 913557 a-Alanine, conf. I
648628.9950 0.5137 -4.2117 3 691.6020423 89502 303705812 695713 a-Alanine, conf. I
648628.9950 0.5137 -4.2117 3 691.6020423 89502 303705813 695712 a-Alanine, conf. I
648631.9137 0.6574 -4.3794 3 725.2074471 89502 303784929 774830 a-Alanine, conf. I
648631.9137 0.6574 -4.3794 3 725.2074471 89502 303784930 774829 a-Alanine, conf. I
648844.7221 0.9560 -4.7418 3 812.7460531 89502 303883950 873849 a-Alanine, conf. I
648845.4620 0.9563 -4.7418 3 812.7460531 89502 303883949 873850 a-Alanine, conf. I
649089.5690 0.6882 -4.4061 3 732.1536477 89502 303794831 784732 a-Alanine, conf. I
649089.5690 0.6882 -4.4061 3 732.1536477 89502 303794832 784731 a-Alanine, conf. I
649286.6073 0.5084 -4.2289 3 695.4863429 89502 303715714 705615 a-Alanine, conf. I
649286.6073 0.5084 -4.2289 3 695.4863429 89502 303715715 705614 a-Alanine, conf. I
649498.6538 0.7200 -4.4343 3 739.4792483 89502 303804733 794634 a-Alanine, conf. I
649498.6538 0.7200 -4.4343 3 739.4792483 89502 303804734 794633 a-Alanine, conf. I
649638.1078 0.9445 -4.6912 3 802.0405525 89502 303874048 863947 a-Alanine, conf. I
649638.1404 0.9445 -4.6912 3 802.0405525 89502 303874047 863948 a-Alanine, conf. I
649676.2894 5.7222 -5.2457 3 583.2234459 89502 303762948 752649 a-Alanine, conf. I
649698.5973 1.0892 -4.9066 3 852.5702549 89502 303913755 903654 a-Alanine, conf. I
649766.7800 2.3877 -5.1892 3 424.9712411 89502 303681553 671454 a-Alanine, conf. I
649766.7802 2.3877 -5.1892 3 424.9712411 89502 303681653 671354 a-Alanine, conf. I
649849.0756 0.7530 -4.4641 3 747.1899489 89502 303814635 804536 a-Alanine, conf. I
649849.0756 0.7530 -4.4641 3 747.1899489 89502 303814636 804535 a-Alanine, conf. I
649879.8078 0.8079 -5.3081 3 687.1671393 89502 3036564 1 6463 1 a-Alanine, conf. I
649879.8078 0.8079 -4.1443 3 687.1671393 89502 3036564 1 6463 2 a-Alanine, conf. I
649879.8078 0.8079 -4.1443 3 687.1671393 89502 3036564 2 6463 1 a-Alanine, conf. I
649879.8078 0.8079 -5.3081 3 687.1671393 89502 3036564 2 6463 2 a-Alanine, conf. I
649932.0230 0.5137 -4.2471 3 699.7223435 89502 303725616 715517 a-Alanine, conf. I
649932.0230 0.5137 -4.2471 3 699.7223435 89502 303725617 715516 a-Alanine, conf. I
650100.6143 0.9849 -4.9061 3 852.5599549 89502 303913754 903655 a-Alanine, conf. I
650108.8714 0.9210 -4.6456 3 791.8143519 89502 303864146 854045 a-Alanine, conf. I
650108.8726 0.9210 -4.6456 3 791.8143519 89502 303864145 854046 a-Alanine, conf. I
650128.0470 0.7870 -4.4957 3 755.2927495 89502 303824537 814438 a-Alanine, conf. I
650128.0470 0.7870 -4.4957 3 755.2927495 89502 303824538 814437 a-Alanine, conf. I
650131.5565 5.5422 -5.0592 3 519.7552441 89502 303732251 722152 a-Alanine, conf. I
650193.8208 5.5021 -5.0591 3 519.7552441 89502 303732351 722052 a-Alanine, conf. I
650239.5416 27.0214 -5.2030 3 782.2176531 89502 303883256 873157 a-Alanine, conf. I
650319.1181 0.8217 -4.5293 3 763.7956501 89502 303834439 824340 a-Alanine, conf. I
650319.1181 0.8217 -4.5293 3 763.7956501 89502 303834440 824339 a-Alanine, conf. I
650329.0138 9.1754 -5.0719 3 572.8136459 89502 303762551 752452 a-Alanine, conf. I
650343.9633 0.8905 -4.6038 3 782.0432513 89502 303854243 844144 a-Alanine, conf. I
650343.9633 0.8905 -4.6038 3 782.0432513 89502 303854244 844143 a-Alanine, conf. I
650370.5829 2.5128 -5.1951 3 597.7393465 89502 303772949 762650 a-Alanine, conf. I
650400.7297 0.8567 -4.5653 3 772.7085507 89502 303844341 834242 a-Alanine, conf. I
650400.7297 0.8567 -4.5653 3 772.7085507 89502 303844342 834241 a-Alanine, conf. I
650563.3959 0.5272 -4.2662 3 704.3117441 89502 303735518 725419 a-Alanine, conf. I
650563.3959 0.5272 -4.2662 3 704.3117441 89502 303735519 725418 a-Alanine, conf. I
650577.1134 3.4368 -5.1104 3 463.5204423 89502 303701852 691753 a-Alanine, conf. I
650577.1853 3.4368 -5.1104 3 463.5204423 89502 303701952 691653 a-Alanine, conf. I
650581.9175 0.7251 -5.3157 3 689.1559399 89502 3036663 3 6562 3 a-Alanine, conf. I
650581.9175 0.7251 -4.1569 3 689.1559399 89502 3036663 3 6562 4 a-Alanine, conf. I
650581.9175 0.7251 -4.1569 3 689.1559399 89502 3036663 4 6562 3 a-Alanine, conf. I
650581.9175 0.7251 -5.3157 3 689.1559399 89502 3036663 4 6562 4 a-Alanine, conf. I
651178.5232 0.5466 -4.2863 3 709.2568447 89502 303745420 735321 a-Alanine, conf. I
651178.5232 0.5466 -4.2863 3 709.2568447 89502 303745421 735320 a-Alanine, conf. I
651277.8047 0.6558 -5.3238 3 691.4886405 89502 3036762 5 6661 5 a-Alanine, conf. I
651277.8047 0.6558 -4.1703 3 691.4886405 89502 3036762 5 6661 6 a-Alanine, conf. I
651277.8047 0.6558 -4.1703 3 691.4886405 89502 3036762 6 6661 5 a-Alanine, conf. I
651277.8047 0.6558 -5.3238 3 691.4886405 89502 3036762 6 6661 6 a-Alanine, conf. I
651416.2064 6.3478 -5.0592 3 537.2809447 89502 303742351 732252 a-Alanine, conf. I
651614.8701 1.8983 -5.2691 3 403.2356405 89502 303671354 661255 a-Alanine, conf. I
651614.8701 1.8983 -5.2691 3 403.2356405 89502 303671454 661155 a-Alanine, conf. I
651649.6018 6.1969 -5.0589 3 537.2807447 89502 303742451 732152 a-Alanine, conf. I
651709.9179 7.4466 -5.0630 3 554.9698453 89502 303752451 742352 a-Alanine, conf. I
651774.7689 0.5702 -4.3074 3 714.5600453 89502 303755322 745223 a-Alanine, conf. I
651774.7689 0.5702 -4.3074 3 714.5600453 89502 303755323 745222 a-Alanine, conf. I
651966.7677 0.6006 -4.1845 3 694.1663411 89502 3036861 7 6760 8 a-Alanine, conf. I
651966.7677 0.6006 -4.1845 3 694.1663411 89502 3036861 8 6760 7 a-Alanine, conf. I
652119.9005 8.6414 -5.3128 3 568.8026453 89502 303752947 742648 a-Alanine, conf. I
652144.6092 0.9706 -4.8350 3 840.5210543 89502 303903853 893752 a-Alanine, conf. I
652173.1854 0.9758 -4.8350 3 840.5203543 89502 303903852 893753 a-Alanine, conf. I
652348.9675 0.5966 -4.3296 3 720.2239459 89502 303765224 755125 a-Alanine, conf. I
652348.9675 0.5966 -4.3296 3 720.2239459 89502 303765225 755124 a-Alanine, conf. I
652521.8727 6.9260 -5.0621 3 554.9688453 89502 303752551 742252 a-Alanine, conf. I
652647.9740 0.5601 -4.1996 3 697.1902417 89502 3036960 9 685910 a-Alanine, conf. I
652647.9740 0.5601 -4.1996 3 697.1902417 89502 303696010 6859 9 a-Alanine, conf. I
652897.3011 0.6248 -4.3530 3 726.2517465 89502 303775126 765027 a-Alanine, conf. I
652897.3011 0.6248 -4.3530 3 726.2517465 89502 303775127 765026 a-Alanine, conf. I
652925.8167 7.5543 -5.0693 3 572.8097459 89502 303762651 752352 a-Alanine, conf. I
653320.4367 0.5343 -4.2154 3 700.5616423 89502 303705911 695812 a-Alanine, conf. I
653320.4367 0.5343 -4.2154 3 700.5616423 89502 303705912 695811 a-Alanine, conf. I
653345.5270 2.9108 -5.0454 3 882.5349561 89502 303933657 923558 a-Alanine, conf. I
653357.8844 7.7419 -5.0820 3 590.7894465 89502 303772751 762452 a-Alanine, conf. I
653415.1408 0.6544 -4.3776 3 732.6469471 89502 303785028 774929 a-Alanine, conf. I
653415.1408 0.6544 -4.3776 3 732.6469471 89502 303785029 774928 a-Alanine, conf. I
653459.9333 25.2039 -5.2008 3 819.3343543 89502 303903357 893258 a-Alanine, conf. I
653591.1963 0.9793 -4.7752 3 829.0564537 89502 303893951 883850 a-Alanine, conf. I
653592.8239 0.9799 -4.7752 3 829.0564537 89502 303893950 883851 a-Alanine, conf. I
653688.2870 1.3386 -4.9479 3 869.6051555 89502 303923756 913655 a-Alanine, conf. I
653880.8952 15.0864 -5.1226 3 623.4150477 89502 303792752 782653 a-Alanine, conf. I
653896.8385 0.6851 -4.4035 3 739.4134477 89502 303794930 784831 a-Alanine, conf. I
653896.8385 0.6851 -4.4035 3 739.4134477 89502 303794931 784830 a-Alanine, conf. I
653917.7262 3.8862 -5.0974 3 480.5876429 89502 303711952 701853 a-Alanine, conf. I
653918.0873 3.8860 -5.0974 3 480.5876429 89502 303712052 701753 a-Alanine, conf. I
653938.7173 2.7189 -5.1648 3 441.7073417 89502 303691653 681554 a-Alanine, conf. I
653938.7183 2.7189 -5.1648 3 441.7073417 89502 303691753 681454 a-Alanine, conf. I
653982.9859 0.5221 -4.2322 3 704.2819429 89502 303715813 705714 a-Alanine, conf. I
653982.9859 0.5221 -4.2322 3 704.2819429 89502 303715814 705713 a-Alanine, conf. I
654110.3423 1.3846 -5.1639 3 612.3472471 89502 303782950 772651 a-Alanine, conf. I
654335.4502 0.7168 -4.4308 3 746.5558483 89502 303804832 794733 a-Alanine, conf. I
654335.4502 0.7168 -4.4308 3 746.5558483 89502 303804833 794732 a-Alanine, conf. I
654454.0300 1.0189 -4.9469 3 869.5854555 89502 303923755 913656 a-Alanine, conf. I
654507.7569 0.9724 -4.7228 3 818.1169531 89502 303884049 873948 a-Alanine, conf. I
654507.8329 0.9724 -4.7228 3 818.1169531 89502 303884048 873949 a-Alanine, conf. I
654553.7738 0.8743 -5.3171 3 697.0924393 89502 3036565 0 6464 0 a-Alanine, conf. I
654553.7738 0.8743 -4.1508 3 697.0924393 89502 3036565 0 6464 1 a-Alanine, conf. I
654553.7738 0.8743 -4.1508 3 697.0924393 89502 3036565 1 6464 0 a-Alanine, conf. I
654553.7738 0.8743 -5.3171 3 697.0924393 89502 3036565 1 6464 1 a-Alanine, conf. I
654634.2333 0.5218 -4.2498 3 708.3527435 89502 303725715 715616 a-Alanine, conf. I
654634.2333 0.5218 -4.2498 3 708.3527435 89502 303725716 715615 a-Alanine, conf. I
654722.3607 0.7495 -4.4595 3 754.0795489 89502 303814734 804635 a-Alanine, conf. I
654722.3607 0.7495 -4.4595 3 754.0795489 89502 303814735 804634 a-Alanine, conf. I
654779.3264 11.8249 -5.1346 3 878.5123561 89502 303933558 923459 a-Alanine, conf. I
655046.7643 0.7834 -4.4900 3 761.9905495 89502 303824636 814537 a-Alanine, conf. I
655046.7643 0.7834 -4.4900 3 761.9905495 89502 303824637 814536 a-Alanine, conf. I
655065.6927 6.8379 -5.1048 3 608.8847471 89502 303782851 772552 a-Alanine, conf. I
655069.1531 0.9516 -4.6758 3 807.6654525 89502 303874147 864046 a-Alanine, conf. I
655069.1561 0.9516 -4.6758 3 807.6654525 89502 303874146 864047 a-Alanine, conf. I
655258.1687 0.7838 -4.1630 3 698.9213399 89502 3036664 2 6563 3 a-Alanine, conf. I
655258.1687 0.7838 -4.1630 3 698.9213399 89502 3036664 3 6563 2 a-Alanine, conf. I
655272.5304 0.5311 -4.2684 3 712.7758441 89502 303735617 725518 a-Alanine, conf. I
655272.5304 0.5311 -4.2684 3 712.7758441 89502 303735618 725517 a-Alanine, conf. I
655294.9281 0.8182 -4.5223 3 770.2961501 89502 303834538 824439 a-Alanine, conf. I
655294.9281 0.8182 -4.5223 3 770.2961501 89502 303834539 824438 a-Alanine, conf. I
655373.9609 0.9224 -4.6329 3 797.6755519 89502 303864245 854144 a-Alanine, conf. I
655373.9610 0.9224 -4.6329 3 797.6755519 89502 303864244 854145 a-Alanine, conf. I
655449.1172 0.8536 -4.5567 3 779.0049507 89502 303844440 834341 a-Alanine, conf. I
655449.1172 0.8536 -4.5567 3 779.0049507 89502 303844441 834340 a-Alanine, conf. I
655485.9728 0.8889 -4.5934 3 788.1272513 89502 303854342 844243 a-Alanine, conf. I
655485.9728 0.8889 -4.5934 3 788.1272513 89502 303854343 844242 a-Alanine, conf. I
655895.9150 0.5477 -4.2879 3 717.5532447 89502 303745519 735420 a-Alanine, conf. I
655895.9150 0.5477 -4.2879 3 717.5532447 89502 303745520 735419 a-Alanine, conf. I
655956.6194 0.7063 -4.1760 3 701.0936405 89502 3036763 4 6662 5 a-Alanine, conf. I
655956.6194 0.7063 -4.1760 3 701.0936405 89502 3036763 5 6662 4 a-Alanine, conf. I
656202.9177 2.1482 -5.2350 3 419.8188411 89502 303681454 671355 a-Alanine, conf. I
656202.9177 2.1482 -5.2350 3 419.8188411 89502 303681554 671255 a-Alanine, conf. I
656502.0472 0.5694 -4.3084 3 722.6871453 89502 303755421 745322 a-Alanine, conf. I
656502.0472 0.5694 -4.3084 3 722.6871453 89502 303755422 745321 a-Alanine, conf. I
656631.5525 0.9937 -4.8718 3 857.2806549 89502 303913854 903753 a-Alanine, conf. I
656648.4926 0.6427 -4.1898 3 703.6103411 89502 3036862 6 6761 7 a-Alanine, conf. I
656648.4926 0.6427 -4.1898 3 703.6103411 89502 3036862 7 6761 6 a-Alanine, conf. I
656689.7594 0.9988 -4.8718 3 857.2791549 89502 303913853 903754 a-Alanine, conf. I
656922.6825 4.3854 -5.0877 3 497.8426435 89502 303722052 711953 a-Alanine, conf. I
656924.3830 4.3843 -5.0877 3 497.8426435 89502 303722152 711853 a-Alanine, conf. I
657088.1269 0.5947 -4.3300 3 728.1800459 89502 303765323 755224 a-Alanine, conf. I
657088.1269 0.5947 -4.3300 3 728.1800459 89502 303765324 755223 a-Alanine, conf. I
657333.0381 0.5937 -4.2043 3 706.4724417 89502 3036961 8 6860 9 a-Alanine, conf. I
657333.0381 0.5937 -4.2043 3 706.4724417 89502 3036961 9 6860 8 a-Alanine, conf. I
657391.8500 1.8546 -4.9913 3 886.8558561 89502 303933757 923656 a-Alanine, conf. I
657650.7917 0.6223 -4.3527 3 734.0349465 89502 303775225 765126 a-Alanine, conf. I
657650.7917 0.6223 -4.3527 3 734.0349465 89502 303775226 765125 a-Alanine, conf. I
657885.1801 3.0886 -5.1447 3 458.6429423 89502 303701753 691654 a-Alanine, conf. I
657885.1859 3.0886 -5.1447 3 458.6429423 89502 303701853 691554 a-Alanine, conf. I
658009.3674 0.5595 -4.2197 3 709.6811423 89502 303706010 695911 a-Alanine, conf. I
658009.3674 0.5595 -4.2197 3 709.6811423 89502 303706011 695910 a-Alanine, conf. I
658185.9840 0.6516 -4.3766 3 740.2548471 89502 303785127 775028 a-Alanine, conf. I
658185.9840 0.6516 -4.3766 3 740.2548471 89502 303785128 775027 a-Alanine, conf. I
658290.1382 1.0014 -4.8093 3 845.5656543 89502 303903952 893851 a-Alanine, conf. I
658293.6573 1.0027 -4.8093 3 845.5655543 89502 303903951 893852 a-Alanine, conf. I
658459.8853 21.9480 -5.2001 3 857.2763555 89502 303923458 913359 a-Alanine, conf. I
658676.4290 0.5398 -4.2360 3 713.2379429 89502 303715912 705813 a-Alanine, conf. I
658676.4290 0.5398 -4.2360 3 713.2379429 89502 303715913 705812 a-Alanine, conf. I
658688.7810 0.6820 -4.4017 3 746.8434477 89502 303795029 784930 a-Alanine, conf. I
658688.7810 0.6820 -4.4017 3 746.8434477 89502 303795030 784929 a-Alanine, conf. I
658819.9225 1.0878 -4.9896 3 886.8195561 89502 303933756 923657 a-Alanine, conf. I
659153.1692 0.7136 -4.4281 3 753.8049483 89502 303804931 794832 a-Alanine, conf. I
659153.1692 0.7136 -4.4281 3 753.8049483 89502 303804932 794831 a-Alanine, conf. I
659174.1136 5.0508 -5.0981 3 900.0424567 89502 303943658 933559 a-Alanine, conf. I
659332.9775 0.5331 -4.2531 3 717.1442435 89502 303725814 715715 a-Alanine, conf. I
659332.9775 0.5331 -4.2531 3 717.1442435 89502 303725815 715714 a-Alanine, conf. I
659342.1987 0.9995 -4.7551 3 834.3891537 89502 303894050 883949 a-Alanine, conf. I
659342.3724 0.9996 -4.7551 3 834.3891537 89502 303894049 883950 a-Alanine, conf. I
659537.8344 4.9451 -5.0813 3 515.2809441 89502 303732152 722053 a-Alanine, conf. I
659545.3462 4.9400 -5.0813 3 515.2808441 89502 303732252 721953 a-Alanine, conf. I
659571.7447 0.7461 -4.4559 3 761.1441489 89502 303814833 804734 a-Alanine, conf. I
659571.7447 0.7461 -4.4559 3 761.1441489 89502 303814834 804733 a-Alanine, conf. I
659932.9420 0.8474 -4.1696 3 708.8447399 89502 3036665 1 6564 2 a-Alanine, conf. I
659932.9420 0.8474 -4.1696 3 708.8447399 89502 3036665 2 6564 1 a-Alanine, conf. I
659935.3032 0.7798 -4.4853 3 768.8665495 89502 303824735 814636 a-Alanine, conf. I
659935.3032 0.7798 -4.4853 3 768.8665495 89502 303824736 814635 a-Alanine, conf. I
659977.5371 0.5373 -4.2712 3 721.4017441 89502 303735716 725617 a-Alanine, conf. I
659977.5371 0.5373 -4.2712 3 721.4017441 89502 303735717 725616 a-Alanine, conf. I
660001.7402 0.9821 -4.7067 3 823.7101531 89502 303884148 874047 a-Alanine, conf. I
660001.7473 0.9821 -4.7067 3 823.7101531 89502 303884147 874048 a-Alanine, conf. I
660220.6297 18.6504 -5.1607 3 656.8489489 89502 303812853 802754 a-Alanine, conf. I
660232.2710 0.8145 -4.5164 3 776.9786501 89502 303834637 824538 a-Alanine, conf. I
660232.2710 0.8145 -4.5164 3 776.9786501 89502 303834638 824537 a-Alanine, conf. I
660381.3817 0.9546 -4.6627 3 813.4996525 89502 303874246 864145 a-Alanine, conf. I
660381.3820 0.9546 -4.6627 3 813.4996525 89502 303874245 864146 a-Alanine, conf. I
660447.8910 0.8501 -4.5494 3 785.4879507 89502 303844539 834440 a-Alanine, conf. I
660447.8910 0.8501 -4.5494 3 785.4879507 89502 303844540 834439 a-Alanine, conf. I
660461.9900 3.8987 -5.1499 3 627.0536477 89502 303792951 782652 a-Alanine, conf. I
660552.3377 0.9216 -4.6221 3 803.7364519 89502 303864343 854244 a-Alanine, conf. I
660552.3377 0.9216 -4.6221 3 803.7364519 89502 303864344 854243 a-Alanine, conf. I
660563.0264 0.8862 -4.5845 3 794.4036513 89502 303854441 844342 a-Alanine, conf. I
660563.0264 0.8862 -4.5845 3 794.4036513 89502 303854442 844341 a-Alanine, conf. I
660608.3558 0.5503 -4.2901 3 726.0122447 89502 303745618 735519 a-Alanine, conf. I
660608.3558 0.5503 -4.2901 3 726.0122447 89502 303745619 735518 a-Alanine, conf. I
660608.9704 2.4414 -5.2064 3 436.6073417 89502 303691554 681455 a-Alanine, conf. I
660608.9705 2.4414 -5.2064 3 436.6073417 89502 303691654 681355 a-Alanine, conf. I
660633.8184 0.7619 -4.1822 3 710.8569405 89502 3036764 3 6663 4 a-Alanine, conf. I
660633.8184 0.7619 -4.1822 3 710.8569405 89502 3036764 4 6663 3 a-Alanine, conf. I
660672.4604 2.8092 -5.0373 3 904.3282567 89502 303943758 933657 a-Alanine, conf. I
660738.1022 11.1282 -5.1024 3 605.0138471 89502 303782652 772553 a-Alanine, conf. I
661027.5009 1.0282 -4.9099 3 874.2449555 89502 303923855 913754 a-Alanine, conf. I
661143.9082 1.0242 -4.9097 3 874.2419555 89502 303923854 913755 a-Alanine, conf. I
661223.3504 0.5695 -4.3101 3 730.9778453 89502 303755520 745421 a-Alanine, conf. I
661223.3504 0.5695 -4.3101 3 730.9778453 89502 303755521 745420 a-Alanine, conf. I
661328.4222 0.6899 -4.1955 3 713.2129411 89502 3036863 5 6762 6 a-Alanine, conf. I
661328.4222 0.6899 -4.1955 3 713.2129411 89502 3036863 6 6762 5 a-Alanine, conf. I
661581.9345 3.4981 -5.1286 3 475.7746429 89502 303711853 701754 a-Alanine, conf. I
661581.9665 3.4981 -5.1286 3 475.7746429 89502 303711953 701654 a-Alanine, conf. I
661687.0248 5.5849 -5.0780 3 532.8973447 89502 303742252 732153 a-Alanine, conf. I
661718.1197 5.5637 -5.0780 3 532.8973447 89502 303742352 732053 a-Alanine, conf. I
661820.0364 0.5933 -4.3311 3 736.3008459 89502 303765422 755323 a-Alanine, conf. I
661820.0364 0.5933 -4.3311 3 736.3008459 89502 303765423 755322 a-Alanine, conf. I
662016.0761 0.6323 -4.2096 3 715.9136417 89502 3036962 7 6861 8 a-Alanine, conf. I
662016.0761 0.6323 -4.2096 3 715.9136417 89502 3036962 8 6861 7 a-Alanine, conf. I
662395.4414 0.6200 -4.3531 3 741.9839465 89502 303775324 765225 a-Alanine, conf. I
662395.4414 0.6200 -4.3531 3 741.9839465 89502 303775325 765224 a-Alanine, conf. I
662400.1381 1.9543 -5.2857 3 414.5121411 89502 303681355 671256 a-Alanine, conf. I
662400.1381 1.9543 -5.2857 3 414.5121411 89502 303681455 671156 a-Alanine, conf. I
662695.9790 0.5896 -4.2245 3 718.9602423 89502 3037061 9 696010 a-Alanine, conf. I
662695.9790 0.5896 -4.2245 3 718.9602423 89502 303706110 6960 9 a-Alanine, conf. I
662936.6254 1.0225 -4.8444 3 862.2744549 89502 303913953 903852 a-Alanine, conf. I
662944.1031 1.0248 -4.8444 3 862.2742549 89502 303913952 903853 a-Alanine, conf. I
662945.9948 0.6488 -4.3762 3 748.0300471 89502 303785226 775127 a-Alanine, conf. I
662945.9948 0.6488 -4.3762 3 748.0300471 89502 303785227 775126 a-Alanine, conf. I
663250.2951 6.3452 -5.0780 3 550.6861453 89502 303752352 742253 a-Alanine, conf. I
663276.7947 1.3093 -5.0342 3 904.2626567 89502 303943757 933658 a-Alanine, conf. I
663321.8477 4.4229 -5.0865 3 922.0300573 89502 303953759 943658 a-Alanine, conf. I
663367.1842 0.5618 -4.2403 3 722.3540429 89502 303716011 705912 a-Alanine, conf. I
663367.1842 0.5618 -4.2403 3 722.3540429 89502 303716012 705911 a-Alanine, conf. I
663370.6729 6.2627 -5.0778 3 550.6860453 89502 303752452 742153 a-Alanine, conf. I
663467.3857 0.6791 -4.4006 3 754.4425477 89502 303795128 785029 a-Alanine, conf. I
663467.3857 0.6791 -4.4006 3 754.4425477 89502 303795129 785028 a-Alanine, conf. I
663501.1651 8.7486 -5.0890 3 586.7526465 89502 303772552 762453 a-Alanine, conf. I
663954.3796 0.7104 -4.4262 3 761.2250483 89502 303805030 794931 a-Alanine, conf. I
663954.3796 0.7104 -4.4262 3 761.2250483 89502 303805031 794930 a-Alanine, conf. I
664007.9753 7.3220 -5.0814 3 568.6405459 89502 303762452 752353 a-Alanine, conf. I
664028.5721 0.5479 -4.2570 3 726.0964435 89502 303725913 715814 a-Alanine, conf. I
664028.5721 0.5479 -4.2570 3 726.0964435 89502 303725914 715813 a-Alanine, conf. I
664105.9272 15.6042 -5.2612 3 976.6257591 89502 303983762 973661 a-Alanine, conf. I
664138.7430 1.0256 -4.7882 3 850.8579543 89502 303904051 893950 a-Alanine, conf. I
664139.1336 1.0258 -4.7882 3 850.8579543 89502 303904050 893951 a-Alanine, conf. I
664400.5744 0.7428 -4.4531 3 768.3821489 89502 303814932 804833 a-Alanine, conf. I
664400.5744 0.7428 -4.4531 3 768.3821489 89502 303814933 804832 a-Alanine, conf. I
664442.1679 7.0249 -5.0809 3 568.6400459 89502 303762552 752253 a-Alanine, conf. I
664606.2838 0.9160 -4.1767 3 718.9259399 89502 3036666 0 6565 1 a-Alanine, conf. I
664606.2838 0.9160 -4.1767 3 718.9259399 89502 3036666 1 6565 0 a-Alanine, conf. I
664678.8188 0.5464 -4.2745 3 730.1890441 89502 303735815 725716 a-Alanine, conf. I
664678.8188 0.5464 -4.2745 3 730.1890441 89502 303735816 725715 a-Alanine, conf. I
664770.0391 22.5606 -5.1987 3 691.1021501 89502 303832954 822855 a-Alanine, conf. I
664798.0748 0.7763 -4.4816 3 775.9186495 89502 303824834 814735 a-Alanine, conf. I
664798.0748 0.7763 -4.4816 3 775.9186495 89502 303824835 814734 a-Alanine, conf. I
664817.1241 2.7749 -5.1825 3 453.5987423 89502 303701654 691555 a-Alanine, conf. I
664817.1245 2.7749 -5.1825 3 453.5987423 89502 303701754 691455 a-Alanine, conf. I
664904.8523 1.0122 -4.7383 3 839.9489537 89502 303894149 884048 a-Alanine, conf. I
664904.8692 1.0122 -4.7383 3 839.9489537 89502 303894148 884049 a-Alanine, conf. I
664950.4341 7.7732 -5.0875 3 586.7507465 89502 303772652 762353 a-Alanine, conf. I
664999.4540 3.9504 -5.1160 3 493.0989435 89502 303721953 711854 a-Alanine, conf. I
664999.6184 3.9503 -5.1160 3 493.0989435 89502 303722053 711754 a-Alanine, conf. I
665041.1312 6.9632 -5.1398 3 939.9718579 89502 303963760 953659 a-Alanine, conf. I
665137.0448 0.8108 -4.5116 3 783.8405501 89502 303834736 824637 a-Alanine, conf. I
665137.0448 0.8108 -4.5116 3 783.8405501 89502 303834737 824636 a-Alanine, conf. I
665156.3716 8.2747 -5.0985 3 605.0064471 89502 303782752 772453 a-Alanine, conf. I
665309.2756 1.0943 -4.9493 3 891.4157561 89502 303933856 923755 a-Alanine, conf. I
665309.4691 0.8226 -4.1888 3 720.7784405 89502 3036765 2 6664 3 a-Alanine, conf. I
665309.4691 0.8226 -4.1888 3 720.7784405 89502 3036765 3 6664 2 a-Alanine, conf. I
665316.3564 0.5549 -4.2929 3 734.6333447 89502 303745717 735618 a-Alanine, conf. I
665316.3564 0.5549 -4.2929 3 734.6333447 89502 303745718 735617 a-Alanine, conf. I
665364.9492 0.9869 -4.6930 3 829.5161531 89502 303884247 874146 a-Alanine, conf. I
665364.9498 0.9869 -4.6930 3 829.5161531 89502 303884246 874147 a-Alanine, conf. I
665405.0824 0.8464 -4.5433 3 792.1544507 89502 303844638 834539 a-Alanine, conf. I
665405.0824 0.8464 -4.5433 3 792.1544507 89502 303844639 834538 a-Alanine, conf. I
665442.7141 10.6755 -5.1980 3 958.1661585 89502 303973761 963660 a-Alanine, conf. I
665537.7712 1.0523 -4.9490 3 891.4097561 89502 303933855 923756 a-Alanine, conf. I
665586.3194 0.8828 -4.5770 3 800.8683513 89502 303854540 844441 a-Alanine, conf. I
665586.3194 0.8828 -4.5770 3 800.8683513 89502 303854541 844440 a-Alanine, conf. I
665588.6894 17.8222 -5.2059 3 896.0482567 89502 303943559 933460 a-Alanine, conf. I
665598.8596 0.9548 -4.6515 3 819.5364525 89502 303874344 864245 a-Alanine, conf. I
665598.8596 0.9548 -4.6515 3 819.5364525 89502 303874345 864244 a-Alanine, conf. I
665660.0866 0.9194 -4.6130 3 809.9918519 89502 303864442 854343 a-Alanine, conf. I
665660.0866 0.9194 -4.6130 3 809.9918519 89502 303864443 854342 a-Alanine, conf. I
665868.3001 8.0189 -5.1165 3 623.3896477 89502 303792852 782553 a-Alanine, conf. I
665939.3251 0.5710 -4.3123 3 739.4315453 89502 303755619 745520 a-Alanine, conf. I
665939.3251 0.5710 -4.3123 3 739.4315453 89502 303755620 745519 a-Alanine, conf. I
666006.6493 0.7423 -4.2017 3 722.9740411 89502 3036864 4 6763 5 a-Alanine, conf. I
666006.6493 0.7423 -4.2017 3 722.9740411 89502 3036864 5 6763 4 a-Alanine, conf. I
666161.2181 8.4876 -5.1560 3 917.7511573 89502 303953659 943560 a-Alanine, conf. I
666545.5138 0.5927 -4.3327 3 744.5856459 89502 303765521 755422 a-Alanine, conf. I
666545.5138 0.5927 -4.3327 3 744.5856459 89502 303765522 755421 a-Alanine, conf. I
666697.2124 0.6761 -4.2154 3 725.5137417 89502 3036963 6 6862 7 a-Alanine, conf. I
666697.2124 0.6761 -4.2154 3 725.5137417 89502 3036963 7 6862 6 a-Alanine, conf. I
667008.6486 2.2030 -5.2522 3 431.3497417 89502 303691455 681356 a-Alanine, conf. I
667008.6486 2.2030 -5.2522 3 431.3497417 89502 303691555 681256 a-Alanine, conf. I
667132.2866 0.6182 -4.3541 3 750.0981465 89502 303775423 765324 a-Alanine, conf. I
667132.2866 0.6182 -4.3541 3 750.0981465 89502 303775424 765323 a-Alanine, conf. I
667380.4350 0.6247 -4.2299 3 728.3986423 89502 3037062 8 6961 9 a-Alanine, conf. I
667380.4350 0.6247 -4.2299 3 728.3986423 89502 3037062 9 6961 8 a-Alanine, conf. I
667524.4953 1.0433 -4.8805 3 879.1839555 89502 303923954 913853 a-Alanine, conf. I
667540.1111 1.0470 -4.8805 3 879.1835555 89502 303923953 913854 a-Alanine, conf. I
667671.1272 26.3172 -5.2327 3 726.1723513 89502 303853055 842956 a-Alanine, conf. I
667696.4894 0.6463 -4.3766 3 755.9717471 89502 303785325 775226 a-Alanine, conf. I
667696.4894 0.6463 -4.3766 3 755.9717471 89502 303785326 775225 a-Alanine, conf. I
667957.6752 1.9466 -5.0813 3 921.9144573 89502 303953758 943659 a-Alanine, conf. I
668055.4632 0.5885 -4.2452 3 731.6300429 89502 303716110 706011 a-Alanine, conf. I
668055.4632 0.5885 -4.2452 3 731.6300429 89502 303716111 706010 a-Alanine, conf. I
668100.9906 4.4510 -5.1067 3 510.6118441 89502 303732053 721954 a-Alanine, conf. I
668101.7849 4.4505 -5.1067 3 510.6118441 89502 303732153 721854 a-Alanine, conf. I
668234.3317 0.6762 -4.4002 3 762.2095477 89502 303795227 785128 a-Alanine, conf. I
668234.3317 0.6762 -4.4002 3 762.2095477 89502 303795228 785127 a-Alanine, conf. I
668721.2889 0.5669 -4.2613 3 735.2090435 89502 303726012 715913 a-Alanine, conf. I
668721.2889 0.5669 -4.2613 3 735.2090435 89502 303726013 715912 a-Alanine, conf. I
668741.2350 0.7073 -4.4251 3 768.8149483 89502 303805129 795030 a-Alanine, conf. I
668741.2350 0.7073 -4.4251 3 768.8149483 89502 303805130 795029 a-Alanine, conf. I
668808.6905 3.1478 -5.1629 3 470.7898429 89502 303711754 701655 a-Alanine, conf. I
668808.6930 3.1478 -5.1629 3 470.7898429 89502 303711854 701555 a-Alanine, conf. I
668857.4523 6.1405 -5.1490 3 641.8692483 89502 303802952 792653 a-Alanine, conf. I
668894.3323 1.0507 -4.8221 3 867.5238549 89502 303914052 903951 a-Alanine, conf. I
668895.1957 1.0511 -4.8221 3 867.5238549 89502 303914051 903952 a-Alanine, conf. I
669211.6336 0.7396 -4.4512 3 775.7919489 89502 303815031 804932 a-Alanine, conf. I
669211.6336 0.7396 -4.4512 3 775.7919489 89502 303815032 804931 a-Alanine, conf. I
669365.4978 29.3037 -5.2585 3 762.0578525 89502 303873156 863057 a-Alanine, conf. I
669376.7219 0.5587 -4.2784 3 739.1372441 89502 303735914 725815 a-Alanine, conf. I
669376.7219 0.5587 -4.2784 3 739.1372441 89502 303735915 725814 a-Alanine, conf. I
669440.8465 1.2384 -4.9902 3 908.7954567 89502 303943857 933756 a-Alanine, conf. I
669638.7119 0.7729 -4.4787 3 783.1450495 89502 303824933 814834 a-Alanine, conf. I
669638.7119 0.7729 -4.4787 3 783.1450495 89502 303824934 814833 a-Alanine, conf. I
669776.5291 1.0417 -4.7705 3 856.3824543 89502 303904150 894049 a-Alanine, conf. I
669776.5685 1.0417 -4.7705 3 856.3824543 89502 303904149 894050 a-Alanine, conf. I
669880.8606 1.0822 -4.9897 3 908.7840567 89502 303943856 933757 a-Alanine, conf. I
669983.6263 0.8883 -4.1960 3 730.8577405 89502 3036766 1 6665 2 a-Alanine, conf. I
669983.6263 0.8883 -4.1960 3 730.8577405 89502 3036766 2 6665 1 a-Alanine, conf. I
670014.0492 0.8072 -4.5077 3 790.8796501 89502 303834835 824736 a-Alanine, conf. I
670014.0492 0.8072 -4.5077 3 790.8796501 89502 303834836 824735 a-Alanine, conf. I
670019.9320 13.6902 -5.1376 3 638.0402483 89502 303802753 792654 a-Alanine, conf. I
670020.3557 0.5619 -4.2963 3 743.4162447 89502 303745816 735717 a-Alanine, conf. I
670020.3557 0.5619 -4.2963 3 743.4162447 89502 303745817 735716 a-Alanine, conf. I
670323.2809 1.0191 -4.7240 3 845.7254537 89502 303894248 884147 a-Alanine, conf. I
670323.2824 1.0191 -4.7240 3 845.7254537 89502 303894247 884148 a-Alanine, conf. I
670327.1314 0.8427 -4.5383 3 799.0016507 89502 303844737 834638 a-Alanine, conf. I
670327.1314 0.8427 -4.5383 3 799.0016507 89502 303844738 834637 a-Alanine, conf. I
670543.3227 30.9419 -5.2742 3 798.7582537 89502 303893257 883158 a-Alanine, conf. I
670564.6620 0.8792 -4.5708 3 807.5181513 89502 303854639 844540 a-Alanine, conf. I
670564.6620 0.8792 -4.5708 3 807.5181513 89502 303854640 844539 a-Alanine, conf. I
670624.5062 0.9883 -4.6814 3 835.5276531 89502 303884345 874246 a-Alanine, conf. I
670624.5062 0.9883 -4.6814 3 835.5276531 89502 303884346 874245 a-Alanine, conf. I
670650.5262 0.5742 -4.3151 3 748.0477453 89502 303755718 745619 a-Alanine, conf. I
670650.5262 0.5742 -4.3151 3 748.0477453 89502 303755719 745618 a-Alanine, conf. I
670683.2513 0.7999 -4.2084 3 732.8933411 89502 3036865 3 6764 4 a-Alanine, conf. I
670683.2513 0.7999 -4.2084 3 732.8933411 89502 3036865 4 6764 3 a-Alanine, conf. I
670709.5652 0.9162 -4.6052 3 816.4376519 89502 303864541 854442 a-Alanine, conf. I
670709.5652 0.9162 -4.6052 3 816.4376519 89502 303864542 854441 a-Alanine, conf. I
670739.4934 0.9531 -4.6420 3 825.7700525 89502 303874443 864344 a-Alanine, conf. I
670739.4934 0.9531 -4.6420 3 825.7700525 89502 303874444 864343 a-Alanine, conf. I
670839.3712 5.0088 -5.1006 3 528.3092447 89502 303742153 732054 a-Alanine, conf. I
670842.9746 5.0063 -5.1006 3 528.3092447 89502 303742253 731954 a-Alanine, conf. I
671265.2603 0.5932 -4.3350 3 753.0338459 89502 303765620 755521 a-Alanine, conf. I
671265.2603 0.5932 -4.3350 3 753.0338459 89502 303765621 755520 a-Alanine, conf. I
671376.5520 0.7252 -4.2217 3 735.2724417 89502 3036964 5 6863 6 a-Alanine, conf. I
671376.5520 0.7252 -4.2217 3 735.2724417 89502 3036964 6 6863 5 a-Alanine, conf. I
671440.8484 2.4967 -5.2241 3 448.3929423 89502 303701555 691456 a-Alanine, conf. I
671440.8484 2.4967 -5.2241 3 448.3929423 89502 303701655 691356 a-Alanine, conf. I
671862.2130 0.6170 -4.3558 3 758.3768465 89502 303775522 765423 a-Alanine, conf. I
671862.2130 0.6170 -4.3558 3 758.3768465 89502 303775523 765422 a-Alanine, conf. I
672034.7597 30.8088 -5.2807 3 836.2744549 89502 303913358 903259 a-Alanine, conf. I
672045.6841 1.0654 -4.9176 3 896.2952561 89502 303933955 923854 a-Alanine, conf. I
672062.8745 0.6651 -4.2357 3 737.9961423 89502 3037063 7 6962 8 a-Alanine, conf. I
672062.8745 0.6651 -4.2357 3 737.9961423 89502 3037063 8 6962 7 a-Alanine, conf. I
672077.7303 1.0702 -4.9176 3 896.2944561 89502 303933954 923855 a-Alanine, conf. I
672335.7459 6.1830 -5.2859 3 630.1534477 89502 303793050 782751 a-Alanine, conf. I
672438.5889 0.6441 -4.3776 3 764.0791471 89502 303785424 775325 a-Alanine, conf. I
672438.5889 0.6441 -4.3776 3 764.0791471 89502 303785425 775324 a-Alanine, conf. I
672561.4324 3.5608 -5.1472 3 488.1776435 89502 303721854 711755 a-Alanine, conf. I
672561.4465 3.5608 -5.1472 3 488.1776435 89502 303721954 711655 a-Alanine, conf. I
672741.4472 0.6201 -4.2506 3 741.0654429 89502 3037162 9 706110 a-Alanine, conf. I
672741.4472 0.6201 -4.2506 3 741.0654429 89502 303716210 7061 9 a-Alanine, conf. I
672991.0424 0.6735 -4.4006 3 770.1435477 89502 303795326 785227 a-Alanine, conf. I
672991.0424 0.6735 -4.4006 3 770.1435477 89502 303795327 785226 a-Alanine, conf. I
673074.3246 3.3226 -5.1315 3 939.7738579 89502 303963759 953660 a-Alanine, conf. I
673150.8533 5.6390 -5.0975 3 546.1861453 89502 303752253 742154 a-Alanine, conf. I
673166.1979 5.6279 -5.0975 3 546.1861453 89502 303752353 742054 a-Alanine, conf. I
673251.3120 2.5375 -5.2402 3 645.2261483 89502 303803051 792752 a-Alanine, conf. I
673365.2258 1.5504 -5.0329 3 926.3871573 89502 303953858 943757 a-Alanine, conf. I
673411.3610 0.5903 -4.2663 3 744.4816435 89502 303726111 716012 a-Alanine, conf. I
673411.3610 0.5903 -4.2663 3 744.4816435 89502 303726112 716011 a-Alanine, conf. I
673515.5513 0.7043 -4.4247 3 776.5733483 89502 303805228 795129 a-Alanine, conf. I
673515.5513 0.7043 -4.4247 3 776.5733483 89502 303805229 795128 a-Alanine, conf. I
673605.4392 1.0746 -4.8568 3 884.3876555 89502 303924053 913952 a-Alanine, conf. I
673607.3158 1.0754 -4.8568 3 884.3876555 89502 303924052 913953 a-Alanine, conf. I
674007.2531 0.7364 -4.4500 3 783.3722489 89502 303815130 805031 a-Alanine, conf. I
674007.2531 0.7364 -4.4500 3 783.3722489 89502 303815131 805030 a-Alanine, conf. I
674071.5438 0.5747 -4.2828 3 748.2460441 89502 303736013 725914 a-Alanine, conf. I
674071.5438 0.5747 -4.2828 3 748.2460441 89502 303736014 725913 a-Alanine, conf. I
674195.9697 1.1168 -5.0319 3 926.3658573 89502 303953857 943758 a-Alanine, conf. I
674460.2310 0.7695 -4.4767 3 790.5441495 89502 303825032 814933 a-Alanine, conf. I
674460.2310 0.7695 -4.4767 3 790.5441495 89502 303825033 814932 a-Alanine, conf. I
674614.5998 1.0705 -4.8035 3 873.0112549 89502 303914151 904050 a-Alanine, conf. I
674614.6902 1.0705 -4.8035 3 873.0112549 89502 303914150 904051 a-Alanine, conf. I
674624.8762 10.4053 -5.1193 3 619.3661477 89502 303792653 782554 a-Alanine, conf. I
674656.3341 0.9590 -4.2036 3 741.0948405 89502 3036767 0 6666 1 a-Alanine, conf. I
674656.3341 0.9590 -4.2036 3 741.0948405 89502 3036767 1 6666 0 a-Alanine, conf. I
674675.9502 28.7527 -5.2823 3 874.6087561 89502 303933459 923360 a-Alanine, conf. I
674720.7315 0.5718 -4.3002 3 752.3603447 89502 303745915 735816 a-Alanine, conf. I
674720.7315 0.5718 -4.3002 3 752.3603447 89502 303745916 735815 a-Alanine, conf. I
674856.7461 13.5346 -5.2207 3 935.6553579 89502 303963660 953561 a-Alanine, conf. I
674867.2283 0.8037 -4.5048 3 798.0939501 89502 303834934 824835 a-Alanine, conf. I
674867.2283 0.8037 -4.5048 3 798.0939501 89502 303834935 824834 a-Alanine, conf. I
674941.3485 6.3706 -5.0975 3 564.2370459 89502 303762353 752254 a-Alanine, conf. I
675002.5893 6.3261 -5.0975 3 564.2370459 89502 303762453 752154 a-Alanine, conf. I
675219.2626 0.8390 -4.5343 3 806.0271507 89502 303844836 834737 a-Alanine, conf. I
675219.2626 0.8390 -4.5343 3 806.0271507 89502 303844837 834736 a-Alanine, conf. I
675254.8746 1.0511 -4.7556 3 862.1278543 89502 303904249 894148 a-Alanine, conf. I
675254.8782 1.0511 -4.7556 3 862.1278543 89502 303904248 894149 a-Alanine, conf. I
675357.4313 0.5794 -4.3185 3 756.8259453 89502 303755817 745718 a-Alanine, conf. I
675357.4313 0.5794 -4.3185 3 756.8259453 89502 303755818 745717 a-Alanine, conf. I
675358.2919 0.8626 -4.2156 3 742.9707411 89502 3036866 2 6765 3 a-Alanine, conf. I
675358.2919 0.8626 -4.2156 3 742.9707411 89502 3036866 3 6765 2 a-Alanine, conf. I
675505.0903 0.8754 -4.5656 3 814.3499513 89502 303854738 844639 a-Alanine, conf. I
675505.0903 0.8754 -4.5656 3 814.3499513 89502 303854739 844638 a-Alanine, conf. I
675628.1701 1.0220 -4.7119 3 851.7103537 89502 303894347 884246 a-Alanine, conf. I
675628.1702 1.0220 -4.7119 3 851.7103537 89502 303894346 884247 a-Alanine, conf. I
675681.9017 2.8323 -5.2007 3 465.6393429 89502 303711655 701556 a-Alanine, conf. I
675681.9019 2.8323 -5.2007 3 465.6393429 89502 303711755 701456 a-Alanine, conf. I
675710.4481 0.9126 -4.5987 3 823.0699519 89502 303864640 854541 a-Alanine, conf. I
675710.4481 0.9126 -4.5987 3 823.0699519 89502 303864641 854540 a-Alanine, conf. I
675800.3926 0.9874 -4.6715 3 841.7384531 89502 303884444 874345 a-Alanine, conf. I
675800.3926 0.9874 -4.6715 3 841.7384531 89502 303884445 874344 a-Alanine, conf. I
675816.9454 0.9503 -4.6339 3 832.1959525 89502 303874542 864443 a-Alanine, conf. I
675816.9454 0.9503 -4.6339 3 832.1959525 89502 303874543 864442 a-Alanine, conf. I
675979.8781 0.5951 -4.3378 3 761.6449459 89502 303765719 755620 a-Alanine, conf. I
675979.8781 0.5951 -4.3378 3 761.6449459 89502 303765720 755619 a-Alanine, conf. I
676048.4947 4.0164 -5.1350 3 505.7586441 89502 303731954 721855 a-Alanine, conf. I
676048.5690 4.0163 -5.1350 3 505.7586441 89502 303732054 721755 a-Alanine, conf. I
676051.9669 7.2684 -5.1007 3 582.4558465 89502 303772453 762354 a-Alanine, conf. I
676054.1830 0.7795 -4.2285 3 745.1896417 89502 3036965 4 6864 5 a-Alanine, conf. I
676054.1830 0.7795 -4.2285 3 745.1896417 89502 3036965 5 6864 4 a-Alanine, conf. I
676170.7880 8.4897 -5.1077 3 600.8349471 89502 303782553 772454 a-Alanine, conf. I
676280.3951 7.1024 -5.1005 3 582.4555465 89502 303772553 762254 a-Alanine, conf. I
676489.1065 1.0931 -4.9558 3 913.6097567 89502 303943956 933855 a-Alanine, conf. I
676553.7214 1.0956 -4.9558 3 913.6080567 89502 303943955 933856 a-Alanine, conf. I
676585.9801 0.6167 -4.3580 3 766.8192465 89502 303775621 765522 a-Alanine, conf. I
676585.9801 0.6167 -4.3580 3 766.8192465 89502 303775622 765521 a-Alanine, conf. I
676743.4154 0.7107 -4.2421 3 747.7523423 89502 3037064 6 6963 7 a-Alanine, conf. I
676743.4154 0.7107 -4.2421 3 747.7523423 89502 3037064 7 6963 6 a-Alanine, conf. I
676963.1226 7.9190 -5.1068 3 600.8339471 89502 303782653 772354 a-Alanine, conf. I
676992.1017 2.1704 -5.0777 3 944.1951579 89502 303963859 953758 a-Alanine, conf. I
677157.1761 8.6290 -5.1169 3 619.3623477 89502 303792753 782454 a-Alanine, conf. I
677173.2518 0.6424 -4.3793 3 772.3513471 89502 303785523 775424 a-Alanine, conf. I
677173.2518 0.6424 -4.3793 3 772.3513471 89502 303785524 775423 a-Alanine, conf. I
677212.1323 1.7732 -5.2133 3 660.3897489 89502 303813052 802753 a-Alanine, conf. I
677342.2336 8.8587 -5.1322 3 638.0265483 89502 303802853 792554 a-Alanine, conf. I
677425.2910 0.6569 -4.2565 3 750.6601429 89502 3037163 8 7062 9 a-Alanine, conf. I
677425.2910 0.6569 -4.2565 3 750.6601429 89502 3037163 9 7062 8 a-Alanine, conf. I
677738.7298 0.6710 -4.4016 3 778.2437477 89502 303795425 785326 a-Alanine, conf. I
677738.7298 0.6710 -4.4016 3 778.2437477 89502 303795426 785325 a-Alanine, conf. I
677807.5778 2.2599 -5.2698 3 443.0300423 89502 303701456 691357 a-Alanine, conf. I
677807.5778 2.2599 -5.2698 3 443.0300423 89502 303701556 691257 a-Alanine, conf. I
677869.0235 16.9831 -5.1770 3 671.8893495 89502 303822854 812755 a-Alanine, conf. I
678098.9884 0.6185 -4.2717 3 753.9139435 89502 303726210 716111 a-Alanine, conf. I
678098.9884 0.6185 -4.2717 3 753.9139435 89502 303726211 716110 a-Alanine, conf. I
678267.9094 1.0974 -4.8924 3 901.4502561 89502 303934054 923953 a-Alanine, conf. I
678271.9200 1.0989 -4.8924 3 901.4501561 89502 303934053 923954 a-Alanine, conf. I
678278.8668 0.7014 -4.4250 3 784.4994483 89502 303805327 795228 a-Alanine, conf. I
678278.8668 0.7014 -4.4250 3 784.4994483 89502 303805328 795227 a-Alanine, conf. I
678528.4492 1.1900 -5.0759 3 944.1561579 89502 303963858 953759 a-Alanine, conf. I
678742.6788 7.8851 -5.1570 3 656.8036489 89502 303812953 802654 a-Alanine, conf. I
678763.5406 0.5950 -4.2877 3 757.5151441 89502 303736112 726013 a-Alanine, conf. I
678763.5406 0.5950 -4.2877 3 757.5151441 89502 303736113 726012 a-Alanine, conf. I
678789.3957 0.7333 -4.4496 3 791.1217489 89502 303815229 805130 a-Alanine, conf. I
678789.3957 0.7333 -4.4496 3 791.1217489 89502 303815230 805129 a-Alanine, conf. I
678943.3642 5.7691 -5.1856 3 957.8382585 89502 303973760 963661 a-Alanine, conf. I
679153.5800 25.0219 -5.2847 3 913.7650573 89502 303953560 943461 a-Alanine, conf. I
679236.8443 4.5192 -5.1262 3 523.5292447 89502 303742054 731955 a-Alanine, conf. I
679237.2119 4.5190 -5.1262 3 523.5292447 89502 303742154 731855 a-Alanine, conf. I
679265.1535 0.7662 -4.4755 3 798.1144495 89502 303825131 815032 a-Alanine, conf. I
679265.1535 0.7662 -4.4755 3 798.1144495 89502 303825132 815031 a-Alanine, conf. I
679416.6439 1.0984 -4.8372 3 889.8357555 89502 303924152 914051 a-Alanine, conf. I
679416.8479 1.0985 -4.8372 3 889.8357555 89502 303924151 914052 a-Alanine, conf. I
679417.8088 0.5852 -4.3047 3 761.4652447 89502 303746014 735915 a-Alanine, conf. I
679417.8088 0.5852 -4.3047 3 761.4652447 89502 303746015 735914 a-Alanine, conf. I
679699.8498 0.8003 -4.5027 3 805.4818501 89502 303835033 824934 a-Alanine, conf. I
679699.8498 0.8003 -4.5027 3 805.4818501 89502 303835034 824933 a-Alanine, conf. I
679714.4754 3.2083 -5.1816 3 483.0858435 89502 303721755 711656 a-Alanine, conf. I
679714.4765 3.2083 -5.1816 3 483.0858435 89502 303721855 711556 a-Alanine, conf. I
680031.8233 0.9304 -4.2233 3 753.2060411 89502 3036867 1 6766 2 a-Alanine, conf. I
680031.8233 0.9304 -4.2233 3 753.2060411 89502 3036867 2 6766 1 a-Alanine, conf. I
680060.4514 0.5873 -4.3225 3 765.7656453 89502 303755916 745817 a-Alanine, conf. I
680060.4514 0.5873 -4.3225 3 765.7656453 89502 303755917 745816 a-Alanine, conf. I
680085.7581 0.8353 -4.5313 3 813.2288507 89502 303844935 834836 a-Alanine, conf. I
680085.7581 0.8353 -4.5313 3 813.2288507 89502 303844936 834835 a-Alanine, conf. I
680158.0914 1.0829 -4.7879 3 878.7238549 89502 303914250 904149 a-Alanine, conf. I
680158.1001 1.0829 -4.7879 3 878.7238549 89502 303914249 904150 a-Alanine, conf. I
680180.3758 3.2862 -5.1251 3 962.2252585 89502 303973860 963759 a-Alanine, conf. I
680413.2939 0.8716 -4.5615 3 821.3613513 89502 303854837 844738 a-Alanine, conf. I
680413.2939 0.8716 -4.5615 3 821.3613513 89502 303854838 844737 a-Alanine, conf. I
680608.6603 1.0558 -4.7430 3 868.0849543 89502 303904348 894247 a-Alanine, conf. I
680608.6606 1.0558 -4.7430 3 868.0849543 89502 303904347 894248 a-Alanine, conf. I
680670.4285 0.9088 -4.5934 3 829.8857519 89502 303864739 854640 a-Alanine, conf. I
680670.4285 0.9088 -4.5934 3 829.8857519 89502 303864740 854639 a-Alanine, conf. I
680689.8855 0.5989 -4.3412 3 770.4182459 89502 303765818 755719 a-Alanine, conf. I
680689.8855 0.5989 -4.3412 3 770.4182459 89502 303765819 755718 a-Alanine, conf. I
680730.1788 0.8391 -4.2357 3 755.2649417 89502 3036966 3 6865 4 a-Alanine, conf. I
680730.1788 0.8391 -4.2357 3 755.2649417 89502 3036966 4 6865 3 a-Alanine, conf. I
680838.7597 1.1373 -4.9953 3 931.1288573 89502 303953957 943856 a-Alanine, conf. I
680841.8518 0.9469 -4.6272 3 838.8100525 89502 303874641 864542 a-Alanine, conf. I
680841.8518 0.9469 -4.6272 3 838.8100525 89502 303874642 864541 a-Alanine, conf. I
680841.8749 1.0221 -4.7016 3 857.8972537 89502 303894445 884346 a-Alanine, conf. I
680841.8749 1.0221 -4.7016 3 857.8972537 89502 303894446 884345 a-Alanine, conf. I
680907.7393 0.9850 -4.6632 3 848.1435531 89502 303884543 874444 a-Alanine, conf. I
680907.7393 0.9850 -4.6632 3 848.1435531 89502 303884544 874443 a-Alanine, conf. I
680966.7365 1.1241 -4.9951 3 931.1255573 89502 303953956 943857 a-Alanine, conf. I
681304.2403 0.6176 -4.3609 3 775.4248465 89502 303775720 765621 a-Alanine, conf. I
681304.2403 0.6176 -4.3609 3 775.4248465 89502 303775721 765620 a-Alanine, conf. I
681422.1571 0.7617 -4.2489 3 757.6671423 89502 3037065 5 6964 6 a-Alanine, conf. I
681422.1571 0.7617 -4.2489 3 757.6671423 89502 3037065 6 6964 5 a-Alanine, conf. I
681901.2993 0.6415 -4.3815 3 780.7877471 89502 303785622 775523 a-Alanine, conf. I
681901.2993 0.6415 -4.3815 3 780.7877471 89502 303785623 775522 a-Alanine, conf. I
682084.8179 5.0768 -5.1204 3 541.4851453 89502 303752154 742055 a-Alanine, conf. I
682086.5294 5.0755 -5.1204 3 541.4851453 89502 303752254 741955 a-Alanine, conf. I
682107.1261 0.6990 -4.2628 3 760.4137429 89502 3037164 7 7063 8 a-Alanine, conf. I
682107.1261 0.6990 -4.2628 3 760.4137429 89502 3037164 8 7063 7 a-Alanine, conf. I
682263.4278 2.5539 -5.2422 3 460.3279429 89502 303711556 701457 a-Alanine, conf. I
682263.4278 2.5539 -5.2422 3 460.3279429 89502 303711656 701357 a-Alanine, conf. I
682478.4294 0.6689 -4.4032 3 786.5092477 89502 303795524 785425 a-Alanine, conf. I
682478.4294 0.6689 -4.4032 3 786.5092477 89502 303795525 785424 a-Alanine, conf. I
682716.8276 5.1409 -5.1757 3 980.4853591 89502 303983861 973760 a-Alanine, conf. I
682784.3425 0.6517 -4.2776 3 763.5056435 89502 3037263 9 716210 a-Alanine, conf. I
682784.3425 0.6517 -4.2776 3 763.5056435 89502 303726310 7162 9 a-Alanine, conf. I
682876.7124 1.1196 -4.9289 3 918.7125567 89502 303944055 933954 a-Alanine, conf. I
682885.1407 1.1221 -4.9289 3 918.7123567 89502 303944054 933955 a-Alanine, conf. I
682959.9606 1.4425 -5.1220 3 962.1552585 89502 303973859 963760 a-Alanine, conf. I
683032.4907 0.6987 -4.4260 3 792.5921483 89502 303805426 795327 a-Alanine, conf. I
683032.4907 0.6987 -4.4260 3 792.5921483 89502 303805427 795326 a-Alanine, conf. I
683452.9322 0.6198 -4.2932 3 766.9442441 89502 303736211 726112 a-Alanine, conf. I
683452.9322 0.6198 -4.2932 3 766.9442441 89502 303736212 726111 a-Alanine, conf. I
683518.0809 3.6249 -5.1663 3 500.7294441 89502 303731855 721756 a-Alanine, conf. I
683518.0871 3.6249 -5.1663 3 500.7294441 89502 303731955 721656 a-Alanine, conf. I
683559.7231 0.7302 -4.4499 3 799.0394489 89502 303815328 805229 a-Alanine, conf. I
683559.7231 0.7302 -4.4499 3 799.0394489 89502 303815329 805228 a-Alanine, conf. I
683754.2329 4.6408 -5.2029 3 675.6518495 89502 303823053 812754 a-Alanine, conf. I
684002.1947 20.9860 -5.2193 3 706.5577507 89502 303842955 832856 a-Alanine, conf. I
684055.6005 0.7630 -4.4750 3 805.8546495 89502 303825230 815131 a-Alanine, conf. I
684055.6005 0.7630 -4.4750 3 805.8546495 89502 303825231 815130 a-Alanine, conf. I
684111.8678 0.6025 -4.3096 3 770.7306447 89502 303746113 736014 a-Alanine, conf. I
684111.8678 0.6025 -4.3096 3 770.7306447 89502 303746114 736013 a-Alanine, conf. I
684179.9393 1.1252 -4.8717 3 906.8567561 89502 303934153 924052 a-Alanine, conf. I
684180.3922 1.1254 -4.8717 3 906.8567561 89502 303934152 924053 a-Alanine, conf. I
684297.9871 8.0276 -5.2304 3 998.9860597 89502 303993862 983761 a-Alanine, conf. I
684514.6413 0.7969 -4.5014 3 813.0417501 89502 303835132 825033 a-Alanine, conf. I
684514.6413 0.7969 -4.5014 3 813.0417501 89502 303835133 825032 a-Alanine, conf. I
684537.7770 5.7013 -5.1176 3 559.6218459 89502 303762254 752155 a-Alanine, conf. I
684545.2658 5.6956 -5.1176 3 559.6218459 89502 303762354 752055 a-Alanine, conf. I
684703.8872 1.0033 -4.2315 3 763.5989411 89502 3036868 0 6767 1 a-Alanine, conf. I
684703.8872 1.0033 -4.2315 3 763.5989411 89502 3036868 1 6767 0 a-Alanine, conf. I
684759.9412 0.5982 -4.3270 3 774.8665453 89502 303756015 745916 a-Alanine, conf. I
684759.9412 0.5982 -4.3270 3 774.8665453 89502 303756016 745915 a-Alanine, conf. I
684879.4109 12.5645 -5.1541 3 652.8067489 89502 303812754 802655 a-Alanine, conf. I
684930.1583 0.8318 -4.5291 3 820.6051507 89502 303845034 834935 a-Alanine, conf. I
684930.1583 0.8318 -4.5291 3 820.6051507 89502 303845035 834934 a-Alanine, conf. I
685031.1358 1.1140 -4.8209 3 895.5139555 89502 303924251 914150 a-Alanine, conf. I
685031.1560 1.1141 -4.8209 3 895.5139555 89502 303924250 914151 a-Alanine, conf. I
685070.5556 1.2233 -5.0361 3 948.8546579 89502 303963958 953857 a-Alanine, conf. I
685293.9231 0.8678 -4.5583 3 828.5500513 89502 303854936 844837 a-Alanine, conf. I
685293.9231 0.8678 -4.5583 3 828.5500513 89502 303854937 844836 a-Alanine, conf. I
685319.4547 1.1552 -5.0358 3 948.8481579 89502 303963957 953858 a-Alanine, conf. I
685395.7295 0.6049 -4.3452 3 779.3534459 89502 303765917 755818 a-Alanine, conf. I
685395.7295 0.6049 -4.3452 3 779.3534459 89502 303765918 755817 a-Alanine, conf. I
685404.5998 0.9039 -4.2434 3 765.4982417 89502 3036967 2 6866 3 a-Alanine, conf. I
685404.5998 0.9039 -4.2434 3 765.4982417 89502 3036967 3 6866 2 a-Alanine, conf. I
685564.6914 1.0896 -4.7748 3 884.6518549 89502 303914349 904248 a-Alanine, conf. I
685564.6921 1.0896 -4.7748 3 884.6518549 89502 303914348 904249 a-Alanine, conf. I
685595.7058 0.9049 -4.5891 3 836.8824519 89502 303864838 854739 a-Alanine, conf. I
685595.7058 0.9049 -4.5891 3 836.8824519 89502 303864839 854738 a-Alanine, conf. I
685822.6317 0.9431 -4.6217 3 845.6092525 89502 303874740 864641 a-Alanine, conf. I
685822.6317 0.9431 -4.6217 3 845.6092525 89502 303874741 864640 a-Alanine, conf. I
685862.9702 1.0571 -4.7323 3 874.2469543 89502 303904446 894347 a-Alanine, conf. I
685862.9702 1.0571 -4.7323 3 874.2469543 89502 303904447 894346 a-Alanine, conf. I
685958.2549 0.9818 -4.6562 3 854.7387531 89502 303884642 874543 a-Alanine, conf. I
685958.2549 0.9818 -4.6562 3 854.7387531 89502 303884643 874542 a-Alanine, conf. I
685981.1847 1.0203 -4.6930 3 864.2806537 89502 303894544 884445 a-Alanine, conf. I
685981.1847 1.0203 -4.6930 3 864.2806537 89502 303894545 884444 a-Alanine, conf. I
686004.6160 9.6601 -5.2449 3 976.1033591 89502 303983761 973662 a-Alanine, conf. I
686017.5556 0.6200 -4.3643 3 784.1931465 89502 303775819 765720 a-Alanine, conf. I
686017.5556 0.6200 -4.3643 3 784.1931465 89502 303775820 765719 a-Alanine, conf. I
686099.1833 0.8180 -4.2562 3 767.7403423 89502 3037066 4 6965 5 a-Alanine, conf. I
686099.1833 0.8180 -4.2562 3 767.7403423 89502 3037066 5 6965 4 a-Alanine, conf. I
686519.1089 6.4146 -5.1178 3 577.9341465 89502 303772354 762255 a-Alanine, conf. I
686534.3470 2.8913 -5.2193 3 477.8291435 89502 303721656 711557 a-Alanine, conf. I
686534.3470 2.8913 -5.2193 3 477.8291435 89502 303721756 711457 a-Alanine, conf. I
686549.8753 6.3910 -5.1178 3 577.9341465 89502 303772454 762155 a-Alanine, conf. I
686623.4378 0.6415 -4.3844 3 789.3877471 89502 303785721 775622 a-Alanine, conf. I
686623.4378 0.6415 -4.3844 3 789.3877471 89502 303785722 775621 a-Alanine, conf. I
686787.0644 0.7465 -4.2697 3 770.3261429 89502 3037165 6 7064 7 a-Alanine, conf. I
686787.0644 0.7465 -4.2697 3 770.3261429 89502 3037165 7 7064 6 a-Alanine, conf. I
687068.1700 4.0840 -5.1546 3 518.5669447 89502 303741955 731856 a-Alanine, conf. I
687068.2033 4.0840 -5.1546 3 518.5669447 89502 303742055 731756 a-Alanine, conf. I
687211.0291 0.6674 -4.4055 3 794.9394477 89502 303795623 785524 a-Alanine, conf. I
687211.0291 0.6674 -4.4055 3 794.9394477 89502 303795624 785523 a-Alanine, conf. I
687425.5312 1.1420 -4.9663 3 936.1754573 89502 303954056 943955 a-Alanine, conf. I
687442.9471 1.1457 -4.9663 3 936.1749573 89502 303954055 943956 a-Alanine, conf. I
687467.5694 0.6902 -4.2840 3 773.2565435 89502 3037264 8 7163 9 a-Alanine, conf. I
687467.5694 0.6902 -4.2840 3 773.2565435 89502 3037264 9 7163 8 a-Alanine, conf. I
687627.5051 2.1774 -5.1704 3 980.3629591 89502 303983860 973761 a-Alanine, conf. I
687777.5411 0.6963 -4.4276 3 800.8506483 89502 303805525 795426 a-Alanine, conf. I
687777.5411 0.6963 -4.4276 3 800.8506483 89502 303805526 795425 a-Alanine, conf. I
687805.3904 9.9295 -5.1380 3 633.8608483 89502 303802654 792555 a-Alanine, conf. I
687908.7898 7.2616 -5.1210 3 596.4161471 89502 303782454 772355 a-Alanine, conf. I
688027.2192 7.1704 -5.1209 3 596.4160471 89502 303782554 772255 a-Alanine, conf. I
688139.9074 0.6495 -4.2992 3 776.5328441 89502 303736310 726211 a-Alanine, conf. I
688139.9074 0.6495 -4.2992 3 776.5328441 89502 303736311 726210 a-Alanine, conf. I
688275.0897 25.4157 -5.2620 3 742.0423519 89502 303863056 852957 a-Alanine, conf. I
688319.6482 0.7274 -4.4509 3 807.1243489 89502 303815427 805328 a-Alanine, conf. I
688319.6482 0.7274 -4.4509 3 807.1243489 89502 303815428 805327 a-Alanine, conf. I
688488.6132 8.3477 -5.1275 3 615.0610477 89502 303792554 782455 a-Alanine, conf. I
688803.1498 0.6241 -4.3151 3 780.1563447 89502 303746212 736113 a-Alanine, conf. I
688803.1498 0.6241 -4.3151 3 780.1563447 89502 303746213 736112 a-Alanine, conf. I
688833.3657 0.7599 -4.4753 3 813.7637495 89502 303825329 815230 a-Alanine, conf. I
688833.3657 0.7599 -4.4753 3 813.7637495 89502 303825330 815229 a-Alanine, conf. I
688901.3895 1.1509 -4.9070 3 924.0749567 89502 303944154 934053 a-Alanine, conf. I
688902.3787 1.1514 -4.9070 3 924.0748567 89502 303944153 934054 a-Alanine, conf. I
688914.1386 8.0214 -5.1270 3 615.0605477 89502 303792654 782355 a-Alanine, conf. I
689147.1324 1.4060 -5.0784 3 966.7894585 89502 303973959 963858 a-Alanine, conf. I
689203.5693 9.4321 -5.1503 3 652.7994489 89502 303812854 802555 a-Alanine, conf. I
689223.0635 8.8602 -5.1366 3 633.8589483 89502 303802754 792455 a-Alanine, conf. I
689313.8939 0.7935 -4.5009 3 820.7722501 89502 303835231 825132 a-Alanine, conf. I
689313.8939 0.7935 -4.5009 3 820.7722501 89502 303835232 825131 a-Alanine, conf. I
689456.2063 0.6127 -4.3320 3 784.1281453 89502 303756114 746015 a-Alanine, conf. I
689456.2063 0.6127 -4.3320 3 784.1281453 89502 303756115 746014 a-Alanine, conf. I
689622.2531 1.1868 -5.0778 3 966.7771585 89502 303973958 963859 a-Alanine, conf. I
689645.5988 9.1733 -5.1707 3 671.8644495 89502 303822954 812655 a-Alanine, conf. I
689755.4132 0.8283 -4.5277 3 828.1541507 89502 303845133 835034 a-Alanine, conf. I
689755.4132 0.8283 -4.5277 3 828.1541507 89502 303845134 835033 a-Alanine, conf. I
689872.0304 1.1446 -4.8545 3 912.4986561 89502 303934252 924151 a-Alanine, conf. I
689872.0769 1.1446 -4.8545 3 912.4986561 89502 303934251 924152 a-Alanine, conf. I
690077.4957 0.9739 -4.2517 3 775.8894417 89502 3036968 1 6867 2 a-Alanine, conf. I
690077.4957 0.9739 -4.2517 3 775.8894417 89502 3036968 2 6867 1 a-Alanine, conf. I
690097.7957 0.6136 -4.3497 3 788.4500459 89502 303766016 755917 a-Alanine, conf. I
690097.7957 0.6136 -4.3497 3 788.4500459 89502 303766017 755916 a-Alanine, conf. I
690150.8140 0.8641 -4.5560 3 835.9141513 89502 303855035 844936 a-Alanine, conf. I
690150.8140 0.8641 -4.5560 3 835.9141513 89502 303855036 844935 a-Alanine, conf. I
690334.8472 4.5896 -5.1461 3 536.5947453 89502 303752055 741956 a-Alanine, conf. I
690335.0159 4.5895 -5.1461 3 536.5947453 89502 303752155 741856 a-Alanine, conf. I
690491.3316 0.9011 -4.5858 3 844.0574519 89502 303864937 854838 a-Alanine, conf. I
690491.3316 0.9011 -4.5858 3 844.0574519 89502 303864938 854837 a-Alanine, conf. I
690494.8718 1.1233 -4.8071 3 901.4114555 89502 303924350 914249 a-Alanine, conf. I
690494.8736 1.1233 -4.8071 3 901.4114555 89502 303924349 914250 a-Alanine, conf. I
690604.2075 3.2702 -5.2007 3 495.5309441 89502 303731756 721657 a-Alanine, conf. I
690604.2080 3.2702 -5.2007 3 495.5309441 89502 303731856 721557 a-Alanine, conf. I
690726.4108 0.6244 -4.3683 3 793.1236465 89502 303775918 765819 a-Alanine, conf. I
690726.4108 0.6244 -4.3683 3 793.1236465 89502 303775919 765818 a-Alanine, conf. I
690766.0437 0.9391 -4.6173 3 852.5905525 89502 303874839 864740 a-Alanine, conf. I
690766.0437 0.9391 -4.6173 3 852.5905525 89502 303874840 864739 a-Alanine, conf. I
690774.5637 0.8796 -4.2640 3 777.9716423 89502 3037067 3 6966 4 a-Alanine, conf. I
690774.5637 0.8796 -4.2640 3 777.9716423 89502 3037067 4 6966 3 a-Alanine, conf. I
690862.6410 1.0924 -4.7636 3 890.7876549 89502 303914447 904348 a-Alanine, conf. I
690862.6410 1.0924 -4.7636 3 890.7876549 89502 303914448 904347 a-Alanine, conf. I
690961.1621 0.9781 -4.6505 3 861.5205531 89502 303884741 874642 a-Alanine, conf. I
690961.1621 0.9781 -4.6505 3 861.5205531 89502 303884742 874641 a-Alanine, conf. I
691036.4740 1.0561 -4.7234 3 880.6077543 89502 303904545 894446 a-Alanine, conf. I
691036.4740 1.0561 -4.7234 3 880.6077543 89502 303904546 894445 a-Alanine, conf. I
691059.0074 1.0174 -4.6858 3 870.8561537 89502 303894643 884544 a-Alanine, conf. I
691059.0074 1.0174 -4.6858 3 870.8561537 89502 303894644 884543 a-Alanine, conf. I
691340.2755 0.6428 -4.3878 3 798.1507471 89502 303785820 775721 a-Alanine, conf. I
691340.2755 0.6428 -4.3878 3 798.1507471 89502 303785821 775720 a-Alanine, conf. I
691465.2002 0.7994 -4.2771 3 780.3969429 89502 3037166 5 7065 6 a-Alanine, conf. I
691465.2002 0.7994 -4.2771 3 780.3969429 89502 3037166 6 7065 5 a-Alanine, conf. I
691906.0753 1.1672 -5.0048 3 953.8401579 89502 303964057 953956 a-Alanine, conf. I
691937.2921 0.6666 -4.4084 3 803.5335477 89502 303795722 785623 a-Alanine, conf. I
691937.2921 0.6666 -4.4084 3 803.5335477 89502 303795723 785622 a-Alanine, conf. I
691941.4567 1.1711 -5.0048 3 953.8392579 89502 303964056 953957 a-Alanine, conf. I
692148.7941 0.7342 -4.2910 3 783.1663435 89502 3037265 7 7164 8 a-Alanine, conf. I
692148.7941 0.7342 -4.2910 3 783.1663435 89502 3037265 8 7164 7 a-Alanine, conf. I
692301.1807 7.1173 -5.2047 3 691.0230501 89502 303833054 822755 a-Alanine, conf. I
692514.9766 0.6944 -4.4299 3 809.2742483 89502 303805624 795525 a-Alanine, conf. I
692514.9766 0.6944 -4.4299 3 809.2742483 89502 303805625 795524 a-Alanine, conf. I
692747.3405 3.7474 -5.2219 3 998.7779597 89502 303993861 983762 a-Alanine, conf. I
692824.6284 0.6845 -4.3056 3 786.2809441 89502 3037364 9 726310 a-Alanine, conf. I
692824.6284 0.6845 -4.3056 3 786.2809441 89502 303736410 7263 9 a-Alanine, conf. I
693009.6249 1.7864 -5.1224 3 984.9363591 89502 303983960 973859 a-Alanine, conf. I
693070.3775 0.7247 -4.4525 3 815.3756489 89502 303815526 805427 a-Alanine, conf. I
693070.3775 0.7247 -4.4525 3 815.3756489 89502 303815527 805426 a-Alanine, conf. I
693077.6299 2.6130 -5.2607 3 472.4123435 89502 303721557 711458 a-Alanine, conf. I
693077.6299 2.6130 -5.2607 3 472.4123435 89502 303721657 711358 a-Alanine, conf. I
693280.9310 5.1482 -5.1408 3 554.8087459 89502 303762155 752056 a-Alanine, conf. I
693281.7364 5.1476 -5.1408 3 554.8087459 89502 303762255 751956 a-Alanine, conf. I
693491.8625 0.6504 -4.3212 3 789.7417447 89502 303746311 736212 a-Alanine, conf. I
693491.8625 0.6504 -4.3212 3 789.7417447 89502 303746312 736211 a-Alanine, conf. I
693577.4182 1.1755 -4.9431 3 941.4909573 89502 303954155 944054 a-Alanine, conf. I
693579.5437 1.1764 -4.9431 3 941.4908573 89502 303954154 944055 a-Alanine, conf. I
693599.9735 0.7568 -4.4762 3 821.8405495 89502 303825428 815329 a-Alanine, conf. I
693599.9735 0.7568 -4.4762 3 821.8405495 89502 303825429 815328 a-Alanine, conf. I
693899.2153 1.2211 -5.1214 3 984.9135591 89502 303983959 973860 a-Alanine, conf. I
693996.9726 15.4027 -5.1934 3 687.0706501 89502 303832855 822756 a-Alanine, conf. I
694099.5432 0.7903 -4.5011 3 828.6723501 89502 303835330 825231 a-Alanine, conf. I
694099.5432 0.7903 -4.5011 3 828.6723501 89502 303835331 825230 a-Alanine, conf. I
694149.5108 0.6313 -4.3375 3 793.5502453 89502 303756213 746114 a-Alanine, conf. I
694149.5108 0.6313 -4.3375 3 793.5502453 89502 303756214 746113 a-Alanine, conf. I
694454.0620 3.6903 -5.1859 3 513.4302447 89502 303741856 731757 a-Alanine, conf. I
694454.0647 3.6903 -5.1859 3 513.4302447 89502 303741956 731657 a-Alanine, conf. I
694563.9970 0.8249 -4.5272 3 835.8746507 89502 303845232 835133 a-Alanine, conf. I
694563.9970 0.8249 -4.5272 3 835.8746507 89502 303845233 835132 a-Alanine, conf. I
694678.5858 1.1742 -4.8889 3 929.6785567 89502 303944253 934152 a-Alanine, conf. I
694678.6912 1.1743 -4.8889 3 929.6785567 89502 303944252 934153 a-Alanine, conf. I
694748.9059 1.0490 -4.2603 3 786.4382417 89502 3036969 0 6868 1 a-Alanine, conf. I
694748.9059 1.0490 -4.2603 3 786.4382417 89502 3036969 1 6868 0 a-Alanine, conf. I
694796.4173 0.6256 -4.3547 3 797.7076459 89502 303766115 756016 a-Alanine, conf. I
694796.4173 0.6256 -4.3547 3 797.7076459 89502 303766116 756015 a-Alanine, conf. I
694987.1568 0.8605 -4.5546 3 843.4519513 89502 303855134 845035 a-Alanine, conf. I
694987.1568 0.8605 -4.5546 3 843.4519513 89502 303855135 845034 a-Alanine, conf. I
695361.4632 0.8973 -4.5834 3 851.4089519 89502 303865036 854937 a-Alanine, conf. I
695361.4632 0.8973 -4.5834 3 851.4089519 89502 303865037 854936 a-Alanine, conf. I
695397.6895 1.1567 -4.8401 3 918.3641561 89502 303934351 924250 a-Alanine, conf. I
695397.6939 1.1567 -4.8401 3 918.3641561 89502 303934350 924251 a-Alanine, conf. I
695431.2247 0.6312 -4.3728 3 802.2157465 89502 303776017 765918 a-Alanine, conf. I
695431.2247 0.6312 -4.3728 3 802.2157465 89502 303776018 765917 a-Alanine, conf. I
695448.3556 0.9465 -4.2722 3 788.3609423 89502 3037068 2 6967 3 a-Alanine, conf. I
695448.3556 0.9465 -4.2722 3 788.3609423 89502 3037068 3 6967 2 a-Alanine, conf. I
695677.5778 0.9352 -4.6138 3 859.7514525 89502 303874938 864839 a-Alanine, conf. I
695677.5778 0.9352 -4.6138 3 859.7514525 89502 303874939 864838 a-Alanine, conf. I
695839.7743 1.1278 -4.7955 3 907.5198555 89502 303924449 914348 a-Alanine, conf. I
695839.7744 1.1278 -4.7955 3 907.5198555 89502 303924448 914349 a-Alanine, conf. I
695858.7442 5.7698 -5.1383 3 573.2047465 89502 303772255 762156 a-Alanine, conf. I
695862.3615 5.7669 -5.1383 3 573.2047465 89502 303772355 762056 a-Alanine, conf. I
695923.8340 0.9742 -4.6459 3 868.4858531 89502 303884840 874741 a-Alanine, conf. I
695923.8340 0.9742 -4.6459 3 868.4858531 89502 303884841 874740 a-Alanine, conf. I
696052.3375 0.6457 -4.3918 3 807.0762471 89502 303785919 775820 a-Alanine, conf. I
696052.3375 0.6457 -4.3918 3 807.0762471 89502 303785920 775819 a-Alanine, conf. I
696072.7497 1.0924 -4.7543 3 897.1248549 89502 303914546 904447 a-Alanine, conf. I
696072.7497 1.0924 -4.7543 3 897.1248549 89502 303914547 904446 a-Alanine, conf. I
696085.4567 1.0139 -4.6798 3 877.6198537 89502 303894742 884643 a-Alanine, conf. I
696085.4567 1.0139 -4.6798 3 877.6198537 89502 303894743 884642 a-Alanine, conf. I
696141.6129 0.8577 -4.2849 3 790.6261429 89502 3037167 4 7066 5 a-Alanine, conf. I
696141.6129 0.8577 -4.2849 3 790.6261429 89502 3037167 5 7066 4 a-Alanine, conf. I
696143.4244 1.0537 -4.7159 3 887.1625543 89502 303904644 894545 a-Alanine, conf. I
696143.4244 1.0537 -4.7159 3 887.1625543 89502 303904645 894544 a-Alanine, conf. I
696306.9231 1.2011 -5.0444 3 971.7079585 89502 303974058 963957 a-Alanine, conf. I
696377.5798 1.1995 -5.0443 3 971.7061585 89502 303974057 963958 a-Alanine, conf. I
696565.2194 2.5167 -5.1686 3 1003.2997597 89502 303993961 983860 a-Alanine, conf. I
696657.8760 0.6670 -4.4118 3 812.2910477 89502 303795821 785722 a-Alanine, conf. I
696657.8760 0.6670 -4.4118 3 812.2910477 89502 303795822 785721 a-Alanine, conf. I
696828.1225 0.7835 -4.2984 3 793.2348435 89502 3037266 6 7165 7 a-Alanine, conf. I
696828.1225 0.7835 -4.2984 3 793.2348435 89502 3037266 7 7165 6 a-Alanine, conf. I
697245.6211 0.6930 -4.4328 3 817.8622483 89502 303805723 795624 a-Alanine, conf. I
697245.6211 0.6930 -4.4328 3 817.8622483 89502 303805724 795623 a-Alanine, conf. I
697375.6301 2.9519 -5.2384 3 490.1682441 89502 303731657 721558 a-Alanine, conf. I
697375.6301 2.9519 -5.2384 3 490.1682441 89502 303731757 721458 a-Alanine, conf. I
697507.2337 0.7247 -4.3126 3 796.1880441 89502 3037365 8 7264 9 a-Alanine, conf. I
697507.2337 0.7247 -4.3126 3 796.1880441 89502 3037365 9 7264 8 a-Alanine, conf. I
697812.9450 0.7223 -4.4547 3 823.7924489 89502 303815625 805526 a-Alanine, conf. I
697812.9450 0.7223 -4.4547 3 823.7924489 89502 303815626 805525 a-Alanine, conf. I
698003.9925 6.4715 -5.1387 3 591.7776471 89502 303782355 772256 a-Alanine, conf. I
698019.2707 6.4592 -5.1387 3 591.7776471 89502 303782455 772156 a-Alanine, conf. I
698061.3705 4.1532 -5.1747 3 531.5239453 89502 303751956 741857 a-Alanine, conf. I
698061.3853 4.1531 -5.1747 3 531.5239453 89502 303752056 741757 a-Alanine, conf. I
698178.1843 0.6817 -4.3277 3 799.4867447 89502 303746410 736311 a-Alanine, conf. I
698178.1843 0.6817 -4.3277 3 799.4867447 89502 303746411 736310 a-Alanine, conf. I
698197.4817 1.2965 -5.1667 3 1003.2583597 89502 303993960 983861 a-Alanine, conf. I
698203.8069 1.1992 -4.9800 3 959.1056579 89502 303964156 954055 a-Alanine, conf. I
698208.2999 1.2008 -4.9800 3 959.1055579 89502 303964155 954056 a-Alanine, conf. I
698356.7247 0.7539 -4.4778 3 830.0842495 89502 303825527 815428 a-Alanine, conf. I
698356.7247 0.7539 -4.4778 3 830.0842495 89502 303825528 815427 a-Alanine, conf. I
698767.6783 11.7593 -5.1726 3 667.7147495 89502 303822755 812656 a-Alanine, conf. I
698840.0821 0.6543 -4.3436 3 803.1323453 89502 303756312 746213 a-Alanine, conf. I
698840.0821 0.6543 -4.3436 3 803.1323453 89502 303756313 746212 a-Alanine, conf. I
698873.2326 0.7871 -4.5020 3 836.7407501 89502 303835429 825330 a-Alanine, conf. I
698873.2326 0.7871 -4.5020 3 836.7407501 89502 303835430 825329 a-Alanine, conf. I
699357.9975 0.8215 -4.5273 3 843.7653507 89502 303845331 835232 a-Alanine, conf. I
699357.9975 0.8215 -4.5273 3 843.7653507 89502 303845332 835231 a-Alanine, conf. I
699448.3603 1.2029 -4.9240 3 947.0541573 89502 303954254 944153 a-Alanine, conf. I
699448.5952 1.2030 -4.9240 3 947.0541573 89502 303954253 944154 a-Alanine, conf. I
699491.8820 0.6412 -4.3603 3 807.1259459 89502 303766214 756115 a-Alanine, conf. I
699491.8820 0.6412 -4.3603 3 807.1259459 89502 303766215 756114 a-Alanine, conf. I
699622.1325 7.2857 -5.1420 3 610.5220477 89502 303792455 782356 a-Alanine, conf. I
699669.7642 3.8010 -5.2174 3 1021.8855603 89502 303A03962 993861 a-Alanine, conf. I
699682.7211 7.2364 -5.1419 3 610.5219477 89502 303792555 782256 a-Alanine, conf. I
699805.6231 0.8570 -4.5540 3 851.1619513 89502 303855233 845134 a-Alanine, conf. I
699805.6231 0.8570 -4.5540 3 851.1619513 89502 303855234 845133 a-Alanine, conf. I
700120.6061 1.0186 -4.2810 3 798.9079423 89502 3037069 1 6968 2 a-Alanine, conf. I
700120.6061 1.0186 -4.2810 3 798.9079423 89502 3037069 2 6968 1 a-Alanine, conf. I
700132.3595 0.6408 -4.3779 3 811.4692465 89502 303776116 766017 a-Alanine, conf. I
700132.3595 0.6408 -4.3779 3 811.4692465 89502 303776117 766016 a-Alanine, conf. I
700209.5503 0.8936 -4.5819 3 858.9350519 89502 303865135 855036 a-Alanine, conf. I
700209.5503 0.8936 -4.5819 3 858.9350519 89502 303865136 855035 a-Alanine, conf. I
700271.4954 1.1896 -4.8738 3 935.5103567 89502 303944352 934251 a-Alanine, conf. I
700271.5056 1.1896 -4.8738 3 935.5103567 89502 303944351 934252 a-Alanine, conf. I
700491.4875 9.6390 -5.1582 3 648.4985489 89502 303812655 802556 a-Alanine, conf. I
700554.4657 8.2839 -5.1483 3 629.4314483 89502 303802555 792456 a-Alanine, conf. I
700561.7401 0.9313 -4.6113 3 867.0897525 89502 303875037 864938 a-Alanine, conf. I
700561.7401 0.9313 -4.6113 3 867.0897525 89502 303875038 864937 a-Alanine, conf. I
700611.5750 1.2573 -5.0852 3 989.7804591 89502 303984059 973958 a-Alanine, conf. I
700750.2414 1.2316 -5.0850 3 989.7768591 89502 303984058 973959 a-Alanine, conf. I
700760.0778 0.6508 -4.3964 3 816.1637471 89502 303786018 775919 a-Alanine, conf. I
700760.0778 0.6508 -4.3964 3 816.1637471 89502 303786019 775918 a-Alanine, conf. I
700779.4191 8.1009 -5.1481 3 629.4312483 89502 303802655 792356 a-Alanine, conf. I
700793.1732 1.1633 -4.8280 3 924.4438561 89502 303934450 924349 a-Alanine, conf. I
700793.1736 1.1633 -4.8280 3 924.4438561 89502 303934449 924350 a-Alanine, conf. I
700816.3686 0.9213 -4.2932 3 801.0134429 89502 3037168 3 7067 4 a-Alanine, conf. I
700816.3686 0.9213 -4.2932 3 801.0134429 89502 3037168 4 7067 3 a-Alanine, conf. I
700852.2403 0.9701 -4.6423 3 875.6319531 89502 303884939 874840 a-Alanine, conf. I
700852.2403 0.9701 -4.6423 3 875.6319531 89502 303884940 874839 a-Alanine, conf. I
701068.5833 1.0100 -4.6750 3 884.5685537 89502 303894841 884742 a-Alanine, conf. I
701068.5833 1.0100 -4.6750 3 884.5685537 89502 303894842 884741 a-Alanine, conf. I
701089.0991 1.1291 -4.7858 3 913.8323555 89502 303924547 914448 a-Alanine, conf. I
701089.0991 1.1291 -4.7858 3 913.8323555 89502 303924548 914447 a-Alanine, conf. I
701194.0470 10.0837 -5.1880 3 687.0571501 89502 303832955 822656 a-Alanine, conf. I
701194.9259 1.0504 -4.7097 3 893.9074543 89502 303904743 894644 a-Alanine, conf. I
701194.9259 1.0504 -4.7097 3 893.9074543 89502 303904744 894643 a-Alanine, conf. I
701210.7832 1.0906 -4.7465 3 903.6582549 89502 303914645 904546 a-Alanine, conf. I
701210.7832 1.0906 -4.7465 3 903.6582549 89502 303914646 904545 a-Alanine, conf. I
701252.2963 9.8102 -5.1702 3 667.7109495 89502 303822855 812556 a-Alanine, conf. I
701269.5568 9.0122 -5.1573 3 648.4975489 89502 303812755 802456 a-Alanine, conf. I
701373.3489 0.6688 -4.4158 3 821.2113477 89502 303795920 785821 a-Alanine, conf. I
701373.3489 0.6688 -4.4158 3 821.2113477 89502 303795921 785820 a-Alanine, conf. I
701398.9221 4.6621 -5.1666 3 549.8085459 89502 303762056 751957 a-Alanine, conf. I
701398.9990 4.6620 -5.1666 3 549.8085459 89502 303762156 751857 a-Alanine, conf. I
701479.3849 3.3334 -5.2203 3 508.1251447 89502 303741757 731658 a-Alanine, conf. I
701479.3851 3.3334 -5.2203 3 508.1251447 89502 303741857 731558 a-Alanine, conf. I
701505.6442 0.8383 -4.3063 3 803.4617435 89502 3037267 5 7166 6 a-Alanine, conf. I
701505.6442 0.8383 -4.3063 3 803.4617435 89502 3037267 6 7166 5 a-Alanine, conf. I
701659.6555 19.0666 -5.2369 3 722.1542513 89502 303852956 842857 a-Alanine, conf. I
701970.1849 0.6926 -4.4362 3 826.6140483 89502 303805822 795723 a-Alanine, conf. I
701970.1849 0.6926 -4.4362 3 826.6140483 89502 303805823 795722 a-Alanine, conf. I
702187.8415 0.7705 -4.3201 3 806.2539441 89502 3037366 7 7265 8 a-Alanine, conf. I
702187.8415 0.7705 -4.3201 3 806.2539441 89502 3037366 8 7265 7 a-Alanine, conf. I
702301.9839 9.0304 -5.2149 3 706.5131507 89502 303843055 832756 a-Alanine, conf. I
702548.2393 0.7205 -4.4576 3 832.3741489 89502 303815724 805625 a-Alanine, conf. I
702548.2393 0.7205 -4.4576 3 832.3741489 89502 303815725 805624 a-Alanine, conf. I
702600.9976 1.5773 -5.2141 3 1021.8117603 89502 303A03961 993862 a-Alanine, conf. I
702775.4369 1.2227 -5.0179 3 976.9199585 89502 303974157 964056 a-Alanine, conf. I
702784.7806 1.2253 -5.0179 3 976.9196585 89502 303974156 964057 a-Alanine, conf. I
702862.2687 0.7183 -4.3347 3 809.3910447 89502 3037465 9 736410 a-Alanine, conf. I
702862.2687 0.7183 -4.3347 3 809.3910447 89502 303746510 7364 9 a-Alanine, conf. I
703104.7333 0.7513 -4.4800 3 838.4939495 89502 303825626 815527 a-Alanine, conf. I
703104.7333 0.7513 -4.4800 3 838.4939495 89502 303825627 815526 a-Alanine, conf. I
703528.1165 0.6821 -4.3501 3 812.8741453 89502 303756411 746312 a-Alanine, conf. I
703528.1165 0.6821 -4.3501 3 812.8741453 89502 303756412 746311 a-Alanine, conf. I
703636.3637 0.7840 -4.5035 3 844.9765501 89502 303835528 825429 a-Alanine, conf. I
703636.3637 0.7840 -4.5035 3 844.9765501 89502 303835529 825428 a-Alanine, conf. I
704139.1858 0.8182 -4.5282 3 851.8249507 89502 303845430 835331 a-Alanine, conf. I
704139.1858 0.8182 -4.5282 3 851.8249507 89502 303845431 835330 a-Alanine, conf. I
704178.6072 1.2304 -4.9599 3 964.6261579 89502 303964255 954154 a-Alanine, conf. I
704179.1226 1.2307 -4.9599 3 964.6261579 89502 303964254 954155 a-Alanine, conf. I
704184.4388 0.6611 -4.3664 3 816.7045459 89502 303766313 756214 a-Alanine, conf. I
704184.4388 0.6611 -4.3664 3 816.7045459 89502 303766314 756213 a-Alanine, conf. I
704433.2635 5.2225 -5.1616 3 568.2802465 89502 303772156 762057 a-Alanine, conf. I
704433.6392 5.2222 -5.1616 3 568.2802465 89502 303772256 761957 a-Alanine, conf. I
704608.4641 0.8536 -4.5541 3 859.0428513 89502 303855332 845233 a-Alanine, conf. I
704608.4641 0.8536 -4.5541 3 859.0428513 89502 303855333 845232 a-Alanine, conf. I
704791.3528 1.0960 -4.2902 3 809.6125423 89502 3037070 0 6969 1 a-Alanine, conf. I
704791.3528 1.0960 -4.2902 3 809.6125423 89502 3037070 1 6969 0 a-Alanine, conf. I
704795.2224 1.3666 -5.1273 3 1008.0595597 89502 303994060 983959 a-Alanine, conf. I
704830.1285 0.6539 -4.3835 3 820.8836465 89502 303776215 766116 a-Alanine, conf. I
704830.1285 0.6539 -4.3835 3 820.8836465 89502 303776216 766115 a-Alanine, conf. I
705038.4772 0.8900 -4.5812 3 866.6342519 89502 303865234 855135 a-Alanine, conf. I
705038.4772 0.8900 -4.5812 3 866.6342519 89502 303865235 855134 a-Alanine, conf. I
705062.5703 1.2662 -5.1270 3 1008.0526597 89502 303994059 983960 a-Alanine, conf. I
705114.4825 1.2218 -4.9081 3 952.8505573 89502 303954353 944252 a-Alanine, conf. I
705114.5061 1.2218 -4.9081 3 952.8505573 89502 303954352 944253 a-Alanine, conf. I
705371.3120 3.7571 -5.2060 3 526.2799453 89502 303751857 741758 a-Alanine, conf. I
705371.3132 3.7571 -5.2060 3 526.2799453 89502 303751957 741658 a-Alanine, conf. I
705422.2617 0.9275 -4.6097 3 874.6037525 89502 303875136 865037 a-Alanine, conf. I
705422.2617 0.9275 -4.6097 3 874.6037525 89502 303875137 865036 a-Alanine, conf. I
705463.8894 0.6584 -4.4015 3 825.4128471 89502 303786117 776018 a-Alanine, conf. I
705463.8894 0.6584 -4.4015 3 825.4128471 89502 303786118 776017 a-Alanine, conf. I
705489.5219 0.9904 -4.3020 3 811.5585429 89502 3037169 2 7068 3 a-Alanine, conf. I
705489.5219 0.9904 -4.3020 3 811.5585429 89502 3037169 3 7068 2 a-Alanine, conf. I
705721.5464 1.1986 -4.8611 3 941.5600567 89502 303944451 934350 a-Alanine, conf. I
705721.5474 1.1986 -4.8611 3 941.5600567 89502 303944450 934351 a-Alanine, conf. I
705751.2665 0.9662 -4.6397 3 882.9567531 89502 303885038 874939 a-Alanine, conf. I
705751.2665 0.9662 -4.6397 3 882.9567531 89502 303885039 874938 a-Alanine, conf. I
706014.8816 1.0059 -4.6713 3 891.6993537 89502 303894940 884841 a-Alanine, conf. I
706014.8816 1.0059 -4.6713 3 891.6993537 89502 303894941 884840 a-Alanine, conf. I
706084.2020 0.6723 -4.4204 3 830.2940477 89502 303796019 785920 a-Alanine, conf. I
706084.2020 0.6723 -4.4204 3 830.2940477 89502 303796020 785919 a-Alanine, conf. I
706084.5489 1.1660 -4.8179 3 930.7305561 89502 303934548 924449 a-Alanine, conf. I
706084.5489 1.1660 -4.8179 3 930.7305561 89502 303934549 924448 a-Alanine, conf. I
706181.4345 0.8986 -4.3146 3 813.8469435 89502 3037268 4 7167 5 a-Alanine, conf. I
706181.4345 0.8986 -4.3146 3 813.8469435 89502 3037268 5 7167 4 a-Alanine, conf. I
706199.7766 1.0466 -4.7047 3 900.8387543 89502 303904842 894743 a-Alanine, conf. I
706199.7766 1.0466 -4.7047 3 900.8387543 89502 303904843 894742 a-Alanine, conf. I
706260.3197 1.1280 -4.7777 3 920.3433555 89502 303924646 914547 a-Alanine, conf. I
706260.3197 1.1280 -4.7777 3 920.3433555 89502 303924647 914546 a-Alanine, conf. I
706288.9502 1.0876 -4.7401 3 910.3834549 89502 303914744 904645 a-Alanine, conf. I
706288.9502 1.0876 -4.7401 3 910.3834549 89502 303914745 904644 a-Alanine, conf. I
706689.2814 0.6933 -4.4402 3 835.5290483 89502 303805921 795822 a-Alanine, conf. I
706689.2814 0.6933 -4.4402 3 835.5290483 89502 303805922 795821 a-Alanine, conf. I
706866.5526 0.8217 -4.3280 3 816.4785441 89502 3037367 6 7266 7 a-Alanine, conf. I
706866.5526 0.8217 -4.3280 3 816.4785441 89502 3037367 7 7266 6 a-Alanine, conf. I
707122.2332 5.8432 -5.1595 3 586.9349471 89502 303782256 772157 a-Alanine, conf. I
707123.9637 5.8417 -5.1595 3 586.9349471 89502 303782356 772057 a-Alanine, conf. I
707277.0264 0.7194 -4.4611 3 841.1199489 89502 303815823 805724 a-Alanine, conf. I
707277.0264 0.7194 -4.4611 3 841.1199489 89502 303815824 805723 a-Alanine, conf. I
707285.8663 1.2474 -5.0567 3 994.9347591 89502 303984158 974057 a-Alanine, conf. I
707304.9810 1.2509 -5.0567 3 994.9342591 89502 303984157 974058 a-Alanine, conf. I
707544.2470 0.7604 -4.3422 3 819.4543447 89502 3037466 8 7365 9 a-Alanine, conf. I
707544.2470 0.7604 -4.3422 3 819.4543447 89502 3037466 9 7365 8 a-Alanine, conf. I
707844.9572 0.7491 -4.4829 3 847.0689495 89502 303825725 815626 a-Alanine, conf. I
707844.9572 0.7491 -4.4829 3 847.0689495 89502 303825726 815625 a-Alanine, conf. I
708213.7830 0.7151 -4.3572 3 822.7754453 89502 303756510 746411 a-Alanine, conf. I
708213.7830 0.7151 -4.3572 3 822.7754453 89502 303756511 746410 a-Alanine, conf. I
708390.1364 0.7812 -4.5058 3 853.3789501 89502 303835627 825528 a-Alanine, conf. I
708390.1364 0.7812 -4.5058 3 853.3789501 89502 303835628 825527 a-Alanine, conf. I
708819.4936 1.5922 -5.1710 3 1026.5476603 89502 303A04061 993960 a-Alanine, conf. I
708853.3019 14.1445 -5.2114 3 702.3926507 89502 303842856 832757 a-Alanine, conf. I
708866.2006 1.2568 -4.9965 3 982.3952585 89502 303974256 964155 a-Alanine, conf. I
708867.3137 1.2574 -4.9965 3 982.3951585 89502 303974255 964156 a-Alanine, conf. I
708874.3025 0.6855 -4.3730 3 826.4431459 89502 303766412 756313 a-Alanine, conf. I
708874.3025 0.6855 -4.3730 3 826.4431459 89502 303766413 756312 a-Alanine, conf. I
708909.0710 0.8150 -4.5297 3 860.0526507 89502 303845529 835430 a-Alanine, conf. I
708909.0710 0.8150 -4.5297 3 860.0526507 89502 303845530 835429 a-Alanine, conf. I
709030.6321 4.2238 -5.1952 3 544.6295459 89502 303761957 751858 a-Alanine, conf. I
709030.6387 4.2238 -5.1952 3 544.6295459 89502 303762057 751758 a-Alanine, conf. I
709325.6245 1.2996 -5.1704 3 1026.5346603 89502 303A04060 993961 a-Alanine, conf. I
709397.5875 0.8502 -4.5549 3 867.0933513 89502 303855431 845332 a-Alanine, conf. I
709397.5875 0.8502 -4.5549 3 867.0933513 89502 303855432 845331 a-Alanine, conf. I
709410.6116 6.5377 -5.1602 3 605.7678477 89502 303792356 782257 a-Alanine, conf. I
709418.1173 6.5314 -5.1602 3 605.7678477 89502 303792456 782157 a-Alanine, conf. I
709524.8029 0.6708 -4.3896 3 830.4585465 89502 303776314 766215 a-Alanine, conf. I
709524.8029 0.6708 -4.3896 3 830.4585465 89502 303776315 766214 a-Alanine, conf. I
709850.6711 0.8864 -4.5813 3 874.5049519 89502 303865333 855234 a-Alanine, conf. I
709850.6711 0.8864 -4.5813 3 874.5049519 89502 303865334 855233 a-Alanine, conf. I
709924.6616 1.2533 -4.9432 3 970.3852579 89502 303964354 954253 a-Alanine, conf. I
709924.7154 1.2533 -4.9432 3 970.3852579 89502 303964353 954254 a-Alanine, conf. I
710161.1173 1.0648 -4.3113 3 822.2614429 89502 3037170 1 7069 2 a-Alanine, conf. I
710161.1173 1.0648 -4.3113 3 822.2614429 89502 3037170 2 7069 1 a-Alanine, conf. I
710164.1128 0.6690 -4.4071 3 834.8231471 89502 303786216 776117 a-Alanine, conf. I
710164.1128 0.6690 -4.4071 3 834.8231471 89502 303786217 776116 a-Alanine, conf. I
710262.2562 0.9238 -4.6089 3 882.2915525 89502 303875235 865136 a-Alanine, conf. I
710262.2562 0.9238 -4.6089 3 882.2915525 89502 303875236 865135 a-Alanine, conf. I
710623.4961 1.2337 -4.8949 3 958.8688573 89502 303954452 944351 a-Alanine, conf. I
710623.4983 1.2337 -4.8949 3 958.8688573 89502 303954451 944352 a-Alanine, conf. I
710624.9485 0.9622 -4.6380 3 890.4580531 89502 303885137 875038 a-Alanine, conf. I
710624.9485 0.9622 -4.6380 3 890.4580531 89502 303885138 875037 a-Alanine, conf. I
710790.8611 0.6781 -4.4255 3 839.5386477 89502 303796118 786019 a-Alanine, conf. I
710790.8611 0.6781 -4.4255 3 839.5386477 89502 303796119 786018 a-Alanine, conf. I
710855.5563 0.9644 -4.3235 3 824.3901435 89502 3037269 3 7168 4 a-Alanine, conf. I
710855.5563 0.9644 -4.3235 3 824.3901435 89502 3037269 4 7168 3 a-Alanine, conf. I
710929.6507 1.0018 -4.6686 3 899.0098537 89502 303895039 884940 a-Alanine, conf. I
710929.6507 1.0018 -4.6686 3 899.0098537 89502 303895040 884939 a-Alanine, conf. I
711058.0579 1.2030 -4.8505 3 947.8198567 89502 303944550 934449 a-Alanine, conf. I
711058.0580 1.2030 -4.8505 3 947.8198567 89502 303944549 934450 a-Alanine, conf. I
711165.0468 1.0425 -4.7008 3 907.9536543 89502 303904941 894842 a-Alanine, conf. I
711165.0468 1.0425 -4.7008 3 907.9536543 89502 303904942 894841 a-Alanine, conf. I
711221.1654 7.3306 -5.1637 3 624.7737483 89502 303802456 792357 a-Alanine, conf. I
711251.7864 7.3044 -5.1636 3 624.7737483 89502 303802556 792257 a-Alanine, conf. I
711291.2245 1.1659 -4.8094 3 937.2181561 89502 303934647 924548 a-Alanine, conf. I
711291.2245 1.1659 -4.8094 3 937.2181561 89502 303934648 924547 a-Alanine, conf. I
711316.8757 1.0840 -4.7349 3 917.2967549 89502 303914843 904744 a-Alanine, conf. I
711316.8757 1.0840 -4.7349 3 917.2967549 89502 303914844 904743 a-Alanine, conf. I
711366.8788 1.1255 -4.7710 3 927.0480555 89502 303924745 914646 a-Alanine, conf. I
711366.8788 1.1255 -4.7710 3 927.0480555 89502 303924746 914645 a-Alanine, conf. I
711403.4417 0.6955 -4.4448 3 844.6066483 89502 303806020 795921 a-Alanine, conf. I
711403.4417 0.6955 -4.4448 3 844.6066483 89502 303806021 795920 a-Alanine, conf. I
711543.4519 0.8785 -4.3364 3 826.8614441 89502 3037368 5 7267 6 a-Alanine, conf. I
711543.4519 0.8785 -4.3364 3 826.8614441 89502 3037368 6 7267 5 a-Alanine, conf. I
711726.6245 1.2768 -5.0965 3 1013.1513597 89502 303994159 984058 a-Alanine, conf. I
711765.0876 1.2790 -5.0965 3 1013.1503597 89502 303994158 984059 a-Alanine, conf. I
711960.4708 11.2289 -5.1928 3 682.7647501 89502 303832756 822657 a-Alanine, conf. I
711999.9684 0.7192 -4.4651 3 850.0292489 89502 303815922 805823 a-Alanine, conf. I
711999.9684 0.7192 -4.4651 3 850.0292489 89502 303815923 805822 a-Alanine, conf. I
712224.2315 0.8080 -4.3502 3 829.6764447 89502 3037467 7 7366 8 a-Alanine, conf. I
712224.2315 0.8080 -4.3502 3 829.6764447 89502 3037467 8 7366 7 a-Alanine, conf. I
712341.3549 3.3982 -5.2403 3 520.8684453 89502 303751758 741659 a-Alanine, conf. I
712341.3550 3.3982 -5.2403 3 520.8684453 89502 303751858 741559 a-Alanine, conf. I
712432.4552 4.7363 -5.1876 3 563.1707465 89502 303772057 761958 a-Alanine, conf. I
712432.4899 4.7363 -5.1876 3 563.1707465 89502 303772157 761858 a-Alanine, conf. I
712433.4412 8.2717 -5.1700 3 643.9466489 89502 303812556 802457 a-Alanine, conf. I
712550.6871 8.1709 -5.1698 3 643.9465489 89502 303812656 802357 a-Alanine, conf. I
712578.2218 0.7474 -4.4863 3 855.8085495 89502 303825824 815725 a-Alanine, conf. I
712578.2218 0.7474 -4.4863 3 855.8085495 89502 303825825 815724 a-Alanine, conf. I
712624.1819 2.0455 -5.2164 3 1045.2480609 89502 303A14062 A03961 a-Alanine, conf. I
712829.7878 9.4770 -5.1794 3 663.2796495 89502 303822656 812557 a-Alanine, conf. I
712897.2269 0.7534 -4.3647 3 832.8360453 89502 3037566 9 746510 a-Alanine, conf. I
712897.2269 0.7534 -4.3647 3 832.8360453 89502 303756610 7465 9 a-Alanine, conf. I
713111.4078 10.7010 -5.2077 3 702.3854507 89502 303842956 832657 a-Alanine, conf. I
713135.5818 0.7786 -4.5086 3 861.9470501 89502 303835726 825627 a-Alanine, conf. I
713135.5818 0.7786 -4.5086 3 861.9470501 89502 303835727 825626 a-Alanine, conf. I
713249.5270 9.1178 -5.1790 3 663.2791495 89502 303822756 812457 a-Alanine, conf. I
713291.4864 10.4353 -5.2305 3 722.1295513 89502 303853056 842757 a-Alanine, conf. I
713356.2158 10.0542 -5.1914 3 682.7627501 89502 303832856 822557 a-Alanine, conf. I
713507.5273 1.2823 -5.0339 3 1000.3620591 89502 303984257 974156 a-Alanine, conf. I
713509.8929 1.2832 -5.0339 3 1000.3619591 89502 303984256 974157 a-Alanine, conf. I
713561.6588 0.7149 -4.3801 3 836.3413459 89502 303766511 756412 a-Alanine, conf. I
713561.6588 0.7149 -4.3801 3 836.3413459 89502 303766512 756411 a-Alanine, conf. I
713564.4370 1.3325 -5.2153 3 1045.2239609 89502 303A14061 A03962 a-Alanine, conf. I
713668.9446 0.8120 -4.5320 3 868.4473507 89502 303845628 835529 a-Alanine, conf. I
713668.9446 0.8120 -4.5320 3 868.4473507 89502 303845629 835528 a-Alanine, conf. I
714174.6177 0.8468 -4.5564 3 875.3125513 89502 303855530 845431 a-Alanine, conf. I
714174.6177 0.8468 -4.5564 3 875.3125513 89502 303855531 845430 a-Alanine, conf. I
714216.6178 0.6919 -4.3962 3 840.1936465 89502 303776413 766314 a-Alanine, conf. I
714216.6178 0.6919 -4.3962 3 840.1936465 89502 303776414 766313 a-Alanine, conf. I
714648.1861 0.8829 -4.5820 3 882.5460519 89502 303865432 855333 a-Alanine, conf. I
714648.1861 0.8829 -4.5820 3 882.5460519 89502 303865433 855332 a-Alanine, conf. I
714699.8302 1.2838 -4.9789 3 988.1150585 89502 303974355 964254 a-Alanine, conf. I
714699.9507 1.2838 -4.9789 3 988.1150585 89502 303974354 964255 a-Alanine, conf. I
714831.1905 1.1444 -4.3210 3 833.1218429 89502 3037171 0 7070 1 a-Alanine, conf. I
714831.1905 1.1444 -4.3210 3 833.1218429 89502 3037171 1 7070 0 a-Alanine, conf. I
714861.0430 0.6832 -4.4133 3 844.3942471 89502 303786315 776216 a-Alanine, conf. I
714861.0430 0.6832 -4.4133 3 844.3942471 89502 303786316 776215 a-Alanine, conf. I
715084.3398 0.9201 -4.6089 3 890.1517525 89502 303875334 865235 a-Alanine, conf. I
715084.3398 0.9201 -4.6089 3 890.1517525 89502 303875335 865234 a-Alanine, conf. I
715476.6477 0.9584 -4.6371 3 898.1340531 89502 303885236 875137 a-Alanine, conf. I
715476.6477 0.9584 -4.6371 3 898.1340531 89502 303885237 875136 a-Alanine, conf. I
715493.6954 0.6865 -4.4312 3 848.9446477 89502 303796217 786118 a-Alanine, conf. I
715493.6954 0.6865 -4.4312 3 848.9446477 89502 303796218 786117 a-Alanine, conf. I
715497.5038 1.2683 -4.9292 3 976.3706579 89502 303964453 954352 a-Alanine, conf. I
715497.5089 1.2683 -4.9292 3 976.3706579 89502 303964452 954353 a-Alanine, conf. I
715528.0613 1.0356 -4.3328 3 835.0911435 89502 3037270 2 7169 3 a-Alanine, conf. I
715528.0613 1.0356 -4.3328 3 835.0911435 89502 3037270 3 7169 2 a-Alanine, conf. I
715546.4807 5.2994 -5.1830 3 581.8997471 89502 303782157 772058 a-Alanine, conf. I
715546.6545 5.2993 -5.1830 3 581.8997471 89502 303782257 771958 a-Alanine, conf. I
715817.2572 0.9978 -4.6668 3 906.4980537 89502 303895138 885039 a-Alanine, conf. I
715817.2572 0.9978 -4.6668 3 906.4980537 89502 303895139 885038 a-Alanine, conf. I
716008.5100 1.2401 -4.8838 3 965.1004573 89502 303954551 944450 a-Alanine, conf. I
716008.5102 1.2401 -4.8838 3 965.1004573 89502 303954550 944451 a-Alanine, conf. I
716086.0299 1.3183 -5.1375 3 1031.5710603 89502 303A04160 994059 a-Alanine, conf. I
716096.4869 1.0384 -4.6979 3 915.2494543 89502 303905040 894941 a-Alanine, conf. I
716096.4869 1.0384 -4.6979 3 915.2494543 89502 303905041 894940 a-Alanine, conf. I
716113.1261 0.6997 -4.4500 3 853.8464483 89502 303806119 796020 a-Alanine, conf. I
716113.1261 0.6997 -4.4500 3 853.8464483 89502 303806120 796019 a-Alanine, conf. I
716162.1433 1.3110 -5.1374 3 1031.5690603 89502 303A04159 994060 a-Alanine, conf. I
716218.6110 0.9409 -4.3453 3 837.4026441 89502 3037369 4 7268 5 a-Alanine, conf. I
716218.6110 0.9409 -4.3453 3 837.4026441 89502 3037369 5 7268 4 a-Alanine, conf. I
716271.5586 3.8253 -5.2265 3 539.2784459 89502 303761858 751759 a-Alanine, conf. I
716271.5591 3.8253 -5.2265 3 539.2784459 89502 303761958 751659 a-Alanine, conf. I
716302.2625 1.0799 -4.7308 3 924.3950549 89502 303914942 904843 a-Alanine, conf. I
716302.2625 1.0799 -4.7308 3 924.3950549 89502 303914943 904842 a-Alanine, conf. I
716302.6383 1.2042 -4.8417 3 954.2830567 89502 303944648 934549 a-Alanine, conf. I
716302.6383 1.2042 -4.8417 3 954.2830567 89502 303944649 934548 a-Alanine, conf. I
716419.3176 1.1221 -4.7656 3 933.9426555 89502 303924844 914745 a-Alanine, conf. I
716419.3176 1.1221 -4.7656 3 933.9426555 89502 303924845 914744 a-Alanine, conf. I
716428.0257 1.1640 -4.8024 3 943.9016561 89502 303934746 924647 a-Alanine, conf. I
716428.0257 1.1640 -4.8024 3 943.9016561 89502 303934747 924646 a-Alanine, conf. I
716717.6383 0.7204 -4.4697 3 859.1016489 89502 303816021 805922 a-Alanine, conf. I
716717.6383 0.7204 -4.4697 3 859.1016489 89502 303816022 805921 a-Alanine, conf. I
716902.3176 0.8612 -4.3586 3 840.0570447 89502 3037468 6 7367 7 a-Alanine, conf. I
716902.3176 0.8612 -4.3586 3 840.0570447 89502 3037468 7 7367 6 a-Alanine, conf. I
717305.2404 0.7465 -4.4904 3 864.7121495 89502 303825923 815824 a-Alanine, conf. I
717305.2404 0.7465 -4.4904 3 864.7121495 89502 303825924 815823 a-Alanine, conf. I
717578.5728 0.7972 -4.3727 3 843.0555453 89502 3037567 8 7466 9 a-Alanine, conf. I
717578.5728 0.7972 -4.3727 3 843.0555453 89502 3037567 9 7466 8 a-Alanine, conf. I
717873.5885 0.7765 -4.5121 3 870.6801501 89502 303835825 825726 a-Alanine, conf. I
717873.5885 0.7765 -4.5121 3 870.6801501 89502 303835826 825725 a-Alanine, conf. I
718098.3205 1.3071 -5.0722 3 1018.5274597 89502 303994258 984157 a-Alanine, conf. I
718103.2693 1.3088 -5.0722 3 1018.5273597 89502 303994257 984158 a-Alanine, conf. I
718246.6676 0.7495 -4.3876 3 846.3989459 89502 303766610 756511 a-Alanine, conf. I
718246.6676 0.7495 -4.3876 3 846.3989459 89502 303766611 756510 a-Alanine, conf. I
718335.0441 5.9205 -5.1813 3 600.8126477 89502 303792257 782158 a-Alanine, conf. I
718335.8645 5.9197 -5.1813 3 600.8126477 89502 303792357 782058 a-Alanine, conf. I
718419.9159 0.8091 -4.5348 3 877.0082507 89502 303845727 835628 a-Alanine, conf. I
718419.9159 0.8091 -4.5348 3 877.0082507 89502 303845728 835627 a-Alanine, conf. I
718905.7761 0.7178 -4.4034 3 850.0886465 89502 303776512 766413 a-Alanine, conf. I
718905.7761 0.7178 -4.4034 3 850.0886465 89502 303776513 766412 a-Alanine, conf. I
718940.9438 0.8436 -4.5586 3 883.6992513 89502 303855629 845530 a-Alanine, conf. I
718940.9438 0.8436 -4.5586 3 883.6992513 89502 303855630 845529 a-Alanine, conf. I
719432.7697 0.8795 -4.5835 3 890.7563519 89502 303865531 855432 a-Alanine, conf. I
719432.7697 0.8795 -4.5835 3 890.7563519 89502 303865532 855431 a-Alanine, conf. I
719437.5324 1.3132 -5.0153 3 1006.0404591 89502 303984356 974255 a-Alanine, conf. I
719437.7978 1.3133 -5.0153 3 1006.0404591 89502 303984355 974256 a-Alanine, conf. I
719554.9359 0.7013 -4.4199 3 854.1257471 89502 303786414 776315 a-Alanine, conf. I
719554.9359 0.7013 -4.4199 3 854.1257471 89502 303786415 776314 a-Alanine, conf. I
719890.7237 0.9165 -4.6096 3 898.1830525 89502 303875433 865334 a-Alanine, conf. I
719890.7237 0.9165 -4.6096 3 898.1830525 89502 303875434 865333 a-Alanine, conf. I
719978.1956 4.2959 -5.2162 3 557.8838465 89502 303771958 761859 a-Alanine, conf. I
719978.1985 4.2959 -5.2162 3 557.8838465 89502 303772058 761759 a-Alanine, conf. I
720193.0251 0.6982 -4.4373 3 858.5116477 89502 303796316 786217 a-Alanine, conf. I
720193.0251 0.6982 -4.4373 3 858.5116477 89502 303796317 786216 a-Alanine, conf. I
720198.9919 1.1122 -4.3425 3 845.9498435 89502 3037271 1 7170 2 a-Alanine, conf. I
720198.9919 1.1122 -4.3425 3 845.9498435 89502 3037271 2 7170 1 a-Alanine, conf. I
720309.1835 0.9546 -4.6370 3 905.9833531 89502 303885335 875236 a-Alanine, conf. I
720309.1835 0.9546 -4.6370 3 905.9833531 89502 303885336 875235 a-Alanine, conf. I
720341.9137 1.3023 -4.9643 3 994.0658585 89502 303974454 964353 a-Alanine, conf. I
720341.9257 1.3023 -4.9643 3 994.0658585 89502 303974453 964354 a-Alanine, conf. I
720347.2137 1.3889 -5.1796 3 1050.1952609 89502 303A14161 A04060 a-Alanine, conf. I
720495.2981 1.3475 -5.1794 3 1050.1913609 89502 303A14160 A04061 a-Alanine, conf. I
720681.3300 0.9939 -4.6658 3 914.1619537 89502 303895237 885138 a-Alanine, conf. I
720681.3300 0.9939 -4.6658 3 914.1619537 89502 303895238 885137 a-Alanine, conf. I
720749.8898 6.6110 -5.1823 3 619.9049483 89502 303802357 792258 a-Alanine, conf. I
720753.5402 6.6077 -5.1823 3 619.9049483 89502 303802457 792158 a-Alanine, conf. I
720818.7343 0.7062 -4.4556 3 863.2480483 89502 303806218 796119 a-Alanine, conf. I
720818.7343 0.7062 -4.4556 3 863.2480483 89502 303806219 796118 a-Alanine, conf. I
720892.0895 1.0088 -4.3547 3 848.1017441 89502 3037370 3 7269 4 a-Alanine, conf. I
720892.0895 1.0088 -4.3547 3 848.1017441 89502 3037370 4 7269 3 a-Alanine, conf. I
720934.7049 1.2772 -4.9176 3 982.5727579 89502 303964552 954451 a-Alanine, conf. I
720934.7053 1.2772 -4.9176 3 982.5727579 89502 303964551 954452 a-Alanine, conf. I
720998.8223 1.0343 -4.6960 3 922.7239543 89502 303905139 895040 a-Alanine, conf. I
720998.8223 1.0343 -4.6960 3 922.7239543 89502 303905140 895039 a-Alanine, conf. I
721251.3540 1.0758 -4.7278 3 931.6755549 89502 303915041 904942 a-Alanine, conf. I
721251.3540 1.0758 -4.7278 3 931.6755549 89502 303915042 904941 a-Alanine, conf. I
721293.6469 1.2427 -4.8746 3 971.5381573 89502 303954649 944550 a-Alanine, conf. I
721293.6469 1.2427 -4.8746 3 971.5381573 89502 303954650 944549 a-Alanine, conf. I
721426.0353 1.1182 -4.7613 3 941.0237555 89502 303924943 914844 a-Alanine, conf. I
721426.0353 1.1182 -4.7613 3 941.0237555 89502 303924944 914843 a-Alanine, conf. I
721430.5334 0.7232 -4.4749 3 868.3365489 89502 303816120 806021 a-Alanine, conf. I
721430.5334 0.7232 -4.4749 3 868.3365489 89502 303816121 806020 a-Alanine, conf. I
721471.6678 1.2030 -4.8344 3 960.9442567 89502 303944747 934648 a-Alanine, conf. I
721471.6678 1.2030 -4.8344 3 960.9442567 89502 303944748 934647 a-Alanine, conf. I
721506.5120 1.1609 -4.7968 3 950.7767561 89502 303934845 924746 a-Alanine, conf. I
721506.5120 1.1609 -4.7968 3 950.7767561 89502 303934846 924745 a-Alanine, conf. I
721578.5861 0.9200 -4.3676 3 850.5960447 89502 3037469 5 7368 6 a-Alanine, conf. I
721578.5861 0.9200 -4.3676 3 850.5960447 89502 3037469 6 7368 5 a-Alanine, conf. I
722026.6309 0.7467 -4.4950 3 873.7790495 89502 303826022 815923 a-Alanine, conf. I
722026.6309 0.7467 -4.4950 3 873.7790495 89502 303826023 815922 a-Alanine, conf. I
722257.9270 0.8467 -4.3812 3 853.4336453 89502 3037568 7 7467 8 a-Alanine, conf. I
722257.9270 0.8467 -4.3812 3 853.4336453 89502 3037568 8 7467 7 a-Alanine, conf. I
722604.9245 0.7750 -4.5161 3 879.5776501 89502 303835924 825825 a-Alanine, conf. I
722604.9245 0.7750 -4.5161 3 879.5776501 89502 303835925 825824 a-Alanine, conf. I
722633.3961 1.3324 -5.1114 3 1036.8923603 89502 303A04259 994158 a-Alanine, conf. I
722643.5854 1.3349 -5.1114 3 1036.8920603 89502 303A04258 994159 a-Alanine, conf. I
722726.0475 7.3901 -5.1860 3 639.1716489 89502 303812457 802358 a-Alanine, conf. I
722741.3495 7.3763 -5.1860 3 639.1716489 89502 303812557 802258 a-Alanine, conf. I
722749.7144 13.2482 -5.2314 3 717.8558513 89502 303852857 842758 a-Alanine, conf. I
722929.4667 0.7896 -4.3957 3 856.6157459 89502 3037667 9 756610 a-Alanine, conf. I
722929.4667 0.7896 -4.3957 3 856.6157459 89502 303766710 7566 9 a-Alanine, conf. I
723162.9407 0.8066 -4.5382 3 885.7346507 89502 303845826 835727 a-Alanine, conf. I
723162.9407 0.8066 -4.5382 3 885.7346507 89502 303845827 835726 a-Alanine, conf. I
723438.3984 4.8123 -5.2090 3 576.6813471 89502 303782058 771959 a-Alanine, conf. I
723438.4140 4.8123 -5.2090 3 576.6813471 89502 303782158 771859 a-Alanine, conf. I
723592.4536 0.7488 -4.4110 3 860.1431465 89502 303776611 766512 a-Alanine, conf. I
723592.4536 0.7488 -4.4110 3 860.1431465 89502 303776612 766511 a-Alanine, conf. I
723697.7584 0.8405 -4.5614 3 892.2527513 89502 303855728 845629 a-Alanine, conf. I
723697.7584 0.8405 -4.5614 3 892.2527513 89502 303855729 845628 a-Alanine, conf. I
724135.0049 1.3415 -5.0525 3 1024.1621597 89502 303994357 984256 a-Alanine, conf. I
724135.5808 1.3418 -5.0525 3 1024.1620597 89502 303994356 984257 a-Alanine, conf. I
724168.2725 8.2938 -5.1924 3 658.6071495 89502 303822557 812458 a-Alanine, conf. I
724205.9153 0.8761 -4.5857 3 899.1348519 89502 303865630 855531 a-Alanine, conf. I
724205.9153 0.8761 -4.5857 3 899.1348519 89502 303865631 855530 a-Alanine, conf. I
724228.5969 8.2391 -5.1923 3 658.6070495 89502 303822657 812358 a-Alanine, conf. I
724246.0134 0.7239 -4.4271 3 864.0173471 89502 303786513 776414 a-Alanine, conf. I
724246.0134 0.7239 -4.4271 3 864.0173471 89502 303786514 776413 a-Alanine, conf. I
724484.8614 1.5246 -5.2230 3 1069.0259615 89502 303A24162 A14061 a-Alanine, conf. I
724665.1254 10.9027 -5.2143 3 697.9573507 89502 303842757 832658 a-Alanine, conf. I
724683.2874 0.9130 -4.6111 3 906.3841525 89502 303875532 865433 a-Alanine, conf. I
724683.2874 0.9130 -4.6111 3 906.3841525 89502 303875533 865432 a-Alanine, conf. I
724768.0228 1.3862 -5.2227 3 1069.0185615 89502 303A24161 A14062 a-Alanine, conf. I
724868.3818 1.1943 -4.3527 3 856.9660435 89502 3037272 0 7171 1 a-Alanine, conf. I
724868.3818 1.1943 -4.3527 3 856.9660435 89502 3037272 1 7171 0 a-Alanine, conf. I
724889.1286 0.7135 -4.4440 3 868.2394477 89502 303796415 786316 a-Alanine, conf. I
724889.1286 0.7135 -4.4440 3 868.2394477 89502 303796416 786315 a-Alanine, conf. I
724917.4800 9.4012 -5.2017 3 678.2048501 89502 303832657 822558 a-Alanine, conf. I
725124.9359 0.9509 -4.6377 3 914.0044531 89502 303885434 875335 a-Alanine, conf. I
725124.9359 0.9509 -4.6377 3 914.0044531 89502 303885435 875334 a-Alanine, conf. I
725140.4803 9.1991 -5.2014 3 678.2046501 89502 303832757 822458 a-Alanine, conf. I
725154.9124 1.3356 -4.9999 3 1011.9548591 89502 303984455 974354 a-Alanine, conf. I
725154.9396 1.3356 -4.9999 3 1011.9548591 89502 303984454 974355 a-Alanine, conf. I
725203.5300 11.1048 -5.2291 3 717.8521513 89502 303852957 842658 a-Alanine, conf. I
725434.3154 10.2127 -5.2135 3 697.9563507 89502 303842857 832558 a-Alanine, conf. I
725520.6135 0.7156 -4.4618 3 872.8109483 89502 303806317 796218 a-Alanine, conf. I
725520.6135 0.7156 -4.4618 3 872.8109483 89502 303806318 796217 a-Alanine, conf. I
725524.9076 0.9900 -4.6656 3 921.9998537 89502 303895336 885237 a-Alanine, conf. I
725524.9076 0.9900 -4.6656 3 921.9998537 89502 303895337 885236 a-Alanine, conf. I
725563.9366 1.0822 -4.3645 3 858.9586441 89502 3037371 2 7270 3 a-Alanine, conf. I
725563.9366 1.0822 -4.3645 3 858.9586441 89502 3037371 3 7270 2 a-Alanine, conf. I
725835.3479 1.3139 -4.9521 3 1000.2370585 89502 303974553 964452 a-Alanine, conf. I
725835.3489 1.3139 -4.9521 3 1000.2370585 89502 303974552 964453 a-Alanine, conf. I
725875.9716 1.0302 -4.6949 3 930.3751543 89502 303905238 895139 a-Alanine, conf. I
725875.9716 1.0302 -4.6949 3 930.3751543 89502 303905239 895138 a-Alanine, conf. I
726139.0854 0.7280 -4.4805 3 877.7334489 89502 303816219 806120 a-Alanine, conf. I
726139.0854 0.7280 -4.4805 3 877.7334489 89502 303816220 806119 a-Alanine, conf. I
726169.2660 1.0716 -4.7257 3 939.1358549 89502 303915140 905041 a-Alanine, conf. I
726169.2660 1.0716 -4.7257 3 939.1358549 89502 303915141 905040 a-Alanine, conf. I
726253.1049 0.9845 -4.3770 3 861.2931447 89502 3037470 4 7369 5 a-Alanine, conf. I
726253.1049 0.9845 -4.3770 3 861.2931447 89502 3037470 5 7369 4 a-Alanine, conf. I
726263.2751 1.2814 -4.9080 3 988.9839579 89502 303964651 954550 a-Alanine, conf. I
726263.2752 1.2814 -4.9080 3 988.9839579 89502 303964650 954551 a-Alanine, conf. I
726393.8148 1.1140 -4.7581 3 948.2883555 89502 303925042 914943 a-Alanine, conf. I
726393.8148 1.1140 -4.7581 3 948.2883555 89502 303925043 914942 a-Alanine, conf. I
726497.0401 1.2426 -4.8670 3 978.1763573 89502 303954748 944649 a-Alanine, conf. I
726497.0401 1.2426 -4.8670 3 978.1763573 89502 303954749 944648 a-Alanine, conf. I
726535.8503 1.1572 -4.7923 3 957.8398561 89502 303934944 924845 a-Alanine, conf. I
726535.8503 1.1572 -4.7923 3 957.8398561 89502 303934945 924844 a-Alanine, conf. I
726577.8396 1.2005 -4.8285 3 967.7990567 89502 303944846 934747 a-Alanine, conf. I
726577.8396 1.2005 -4.8285 3 967.7990567 89502 303944847 934746 a-Alanine, conf. I
726624.5676 5.3786 -5.2049 3 595.6673477 89502 303792158 782059 a-Alanine, conf. I
726624.6474 5.3785 -5.2049 3 595.6673477 89502 303792258 781959 a-Alanine, conf. I
726742.9294 0.7483 -4.5002 3 883.0087495 89502 303826121 816022 a-Alanine, conf. I
726742.9294 0.7483 -4.5002 3 883.0087495 89502 303826122 816021 a-Alanine, conf. I
726935.3804 0.9019 -4.3902 3 863.9703453 89502 3037569 6 7468 7 a-Alanine, conf. I
726935.3804 0.9019 -4.3902 3 863.9703453 89502 3037569 7 7468 6 a-Alanine, conf. I
727106.2210 1.3601 -5.1516 3 1055.4576609 89502 303A14260 A04159 a-Alanine, conf. I
727126.8684 1.3629 -5.1515 3 1055.4570609 89502 303A14259 A04160 a-Alanine, conf. I
727330.2552 0.7744 -4.5207 3 888.6388501 89502 303836023 825924 a-Alanine, conf. I
727330.2552 0.7744 -4.5207 3 888.6388501 89502 303836024 825923 a-Alanine, conf. I
727610.1741 0.8353 -4.4043 3 866.9913459 89502 3037668 8 7567 9 a-Alanine, conf. I
727610.1741 0.8353 -4.4043 3 866.9913459 89502 3037668 9 7567 8 a-Alanine, conf. I
727898.8450 0.8046 -4.5423 3 894.6258507 89502 303845925 835826 a-Alanine, conf. I
727898.8450 0.8046 -4.5423 3 894.6258507 89502 303845926 835825 a-Alanine, conf. I
728276.8017 0.7851 -4.4191 3 870.3570465 89502 303776710 766611 a-Alanine, conf. I
728276.8017 0.7851 -4.4191 3 870.3570465 89502 303776711 766610 a-Alanine, conf. I
728446.0888 0.8378 -4.5648 3 900.9721513 89502 303855827 845728 a-Alanine, conf. I
728446.0888 0.8378 -4.5648 3 900.9721513 89502 303855828 845727 a-Alanine, conf. I
728789.1029 1.3687 -5.0905 3 1042.4806603 89502 303A04358 994257 a-Alanine, conf. I
728790.3329 1.3693 -5.0905 3 1042.4806603 89502 303A04357 994258 a-Alanine, conf. I
728934.4677 0.7513 -4.4347 3 874.0687471 89502 303786612 776513 a-Alanine, conf. I
728934.4677 0.7513 -4.4347 3 874.0687471 89502 303786613 776512 a-Alanine, conf. I
728968.9041 0.8729 -4.5885 3 907.6805519 89502 303865729 855630 a-Alanine, conf. I
728968.9041 0.8729 -4.5885 3 907.6805519 89502 303865730 855629 a-Alanine, conf. I
729463.6353 0.9095 -4.6132 3 914.7540525 89502 303875631 865532 a-Alanine, conf. I
729463.6353 0.9095 -4.6132 3 914.7540525 89502 303875632 865531 a-Alanine, conf. I
729502.7852 6.0011 -5.2036 3 614.8380483 89502 303802258 792159 a-Alanine, conf. I
729503.1708 6.0008 -5.2036 3 614.8380483 89502 303802358 792059 a-Alanine, conf. I
729582.2474 0.7329 -4.4512 3 878.1274477 89502 303796514 786415 a-Alanine, conf. I
729582.2474 0.7329 -4.4512 3 878.1274477 89502 303796515 786414 a-Alanine, conf. I
729925.9254 0.9473 -4.6391 3 922.1959531 89502 303885533 875434 a-Alanine, conf. I
729925.9254 0.9473 -4.6391 3 922.1959531 89502 303885534 875433 a-Alanine, conf. I
729934.5038 1.3680 -5.0363 3 1030.0383597 89502 303994456 984355 a-Alanine, conf. I
729934.5649 1.3680 -5.0363 3 1030.0383597 89502 303994455 984356 a-Alanine, conf. I
730219.0654 0.7283 -4.4686 3 882.5347483 89502 303806416 796317 a-Alanine, conf. I
730219.0654 0.7283 -4.4686 3 882.5347483 89502 303806417 796316 a-Alanine, conf. I
730234.1925 1.1611 -4.3747 3 869.9731441 89502 3037372 1 7271 2 a-Alanine, conf. I
730234.1925 1.1611 -4.3747 3 869.9731441 89502 3037372 2 7271 1 a-Alanine, conf. I
730350.5514 0.9862 -4.6662 3 930.0102537 89502 303895435 885336 a-Alanine, conf. I
730350.5514 0.9862 -4.6662 3 930.0102537 89502 303895436 885335 a-Alanine, conf. I
730709.0381 1.3503 -4.9872 3 1018.0938591 89502 303984554 974453 a-Alanine, conf. I
730709.0406 1.3503 -4.9872 3 1018.0938591 89502 303984553 974454 a-Alanine, conf. I
730731.2094 1.0262 -4.6947 3 938.2012543 89502 303905337 895238 a-Alanine, conf. I
730731.2094 1.0262 -4.6947 3 938.2012543 89502 303905338 895237 a-Alanine, conf. I
730843.6700 0.7353 -4.4868 3 887.2919489 89502 303816318 806219 a-Alanine, conf. I
730843.6700 0.7353 -4.4868 3 887.2919489 89502 303816319 806218 a-Alanine, conf. I
730925.9308 1.0545 -4.3868 3 872.1481447 89502 3037471 3 7370 4 a-Alanine, conf. I
730925.9308 1.0545 -4.3868 3 872.1481447 89502 3037471 4 7370 3 a-Alanine, conf. I
731060.2305 1.0674 -4.7245 3 946.7738549 89502 303915239 905140 a-Alanine, conf. I
731060.2305 1.0674 -4.7245 3 946.7738549 89502 303915240 905139 a-Alanine, conf. I
731210.4807 1.3202 -4.9420 3 1006.6205585 89502 303974652 964551 a-Alanine, conf. I
731210.4808 1.3202 -4.9420 3 1006.6205585 89502 303974651 964552 a-Alanine, conf. I
731328.1971 1.1097 -4.7559 3 955.7339555 89502 303925141 915042 a-Alanine, conf. I
731328.1971 1.1097 -4.7559 3 955.7339555 89502 303925142 915041 a-Alanine, conf. I
731454.6021 0.7516 -4.5059 3 892.4008495 89502 303826220 816121 a-Alanine, conf. I
731454.6021 0.7516 -4.5059 3 892.4008495 89502 303826221 816120 a-Alanine, conf. I
731503.3330 1.2825 -4.9000 3 995.5979579 89502 303964749 954650 a-Alanine, conf. I
731503.3330 1.2825 -4.9000 3 995.5979579 89502 303964750 954649 a-Alanine, conf. I
731508.1981 1.3947 -5.1927 3 1074.2244615 89502 303A24261 A14160 a-Alanine, conf. I
731523.4150 1.1530 -4.7890 3 965.0879561 89502 303935043 924944 a-Alanine, conf. I
731523.4150 1.1530 -4.7890 3 965.0879561 89502 303935044 924943 a-Alanine, conf. I
731549.3696 1.3944 -5.1927 3 1074.2234615 89502 303A24260 A14161 a-Alanine, conf. I
731611.0096 0.9628 -4.3997 3 874.6652453 89502 3037570 5 7469 6 a-Alanine, conf. I
731611.0096 0.9628 -4.3997 3 874.6652453 89502 3037570 6 7469 5 a-Alanine, conf. I
731631.1698 1.1970 -4.8238 3 974.8435567 89502 303944945 934846 a-Alanine, conf. I
731631.1698 1.1970 -4.8238 3 974.8435567 89502 303944946 934845 a-Alanine, conf. I
731632.6496 1.2406 -4.8608 3 985.0099573 89502 303954847 944748 a-Alanine, conf. I
731632.6496 1.2406 -4.8608 3 985.0099573 89502 303954848 944747 a-Alanine, conf. I
732030.3286 6.6898 -5.2049 3 634.1891489 89502 303812358 802259 a-Alanine, conf. I
732032.0873 6.6881 -5.2049 3 634.1891489 89502 303812458 802159 a-Alanine, conf. I
732050.1581 0.7750 -4.5259 3 897.8632501 89502 303836122 826023 a-Alanine, conf. I
732050.1581 0.7750 -4.5259 3 897.8632501 89502 303836123 826022 a-Alanine, conf. I
732288.8912 0.8867 -4.4133 3 877.5256459 89502 3037669 7 7568 8 a-Alanine, conf. I
732288.8912 0.8867 -4.4133 3 877.5256459 89502 3037669 8 7568 7 a-Alanine, conf. I
732628.3445 0.8034 -4.5469 3 903.6811507 89502 303846024 835925 a-Alanine, conf. I
732628.3445 0.8034 -4.5469 3 903.6811507 89502 303846025 835924 a-Alanine, conf. I
732958.9513 0.8270 -4.4277 3 880.7300465 89502 3037768 9 766710 a-Alanine, conf. I
732958.9513 0.8270 -4.4277 3 880.7300465 89502 303776810 7667 9 a-Alanine, conf. I
733186.8226 0.8354 -4.5689 3 909.8567513 89502 303855926 845827 a-Alanine, conf. I
733186.8226 0.8354 -4.5689 3 909.8567513 89502 303855927 845826 a-Alanine, conf. I
733396.1891 1.3952 -5.1293 3 1060.9968609 89502 303A14359 A04258 a-Alanine, conf. I
733398.7765 1.3962 -5.1293 3 1060.9967609 89502 303A14358 A04259 a-Alanine, conf. I
733620.4651 0.7839 -4.4429 3 884.2796471 89502 303786711 776612 a-Alanine, conf. I
733620.4651 0.7839 -4.4429 3 884.2796471 89502 303786712 776611 a-Alanine, conf. I
733722.8395 0.8698 -4.5919 3 916.3927519 89502 303865828 855729 a-Alanine, conf. I
733722.8395 0.8698 -4.5919 3 916.3927519 89502 303865829 855728 a-Alanine, conf. I
734151.2990 7.4601 -5.2089 3 653.7159495 89502 303822458 812359 a-Alanine, conf. I
734158.8660 7.4529 -5.2089 3 653.7159495 89502 303822558 812259 a-Alanine, conf. I
734233.1434 0.9061 -4.6160 3 923.2917525 89502 303875730 865631 a-Alanine, conf. I
734233.1434 0.9061 -4.6160 3 923.2917525 89502 303875731 865630 a-Alanine, conf. I
734272.5912 0.7569 -4.4589 3 888.1755477 89502 303796613 786514 a-Alanine, conf. I
734272.5912 0.7569 -4.4589 3 888.1755477 89502 303796614 786513 a-Alanine, conf. I
734678.4786 1.3993 -5.0734 3 1048.3166603 89502 303A04457 994356 a-Alanine, conf. I
734678.6136 1.3994 -5.0734 3 1048.3166603 89502 303A04456 994357 a-Alanine, conf. I
734713.8753 0.9437 -4.6412 3 930.5569531 89502 303885632 875533 a-Alanine, conf. I
734713.8753 0.9437 -4.6412 3 930.5569531 89502 303885633 875532 a-Alanine, conf. I
734902.8892 1.2455 -4.3855 3 881.1450441 89502 3037373 0 7272 1 a-Alanine, conf. I
734902.8892 1.2455 -4.3855 3 881.1450441 89502 3037373 1 7272 0 a-Alanine, conf. I
734914.3526 0.7448 -4.4758 3 892.4191483 89502 303806515 796416 a-Alanine, conf. I
734914.3526 0.7448 -4.4758 3 892.4191483 89502 303806516 796415 a-Alanine, conf. I
735160.4324 0.9825 -4.6676 3 938.1919537 89502 303895534 885435 a-Alanine, conf. I
735160.4324 0.9825 -4.6676 3 938.1919537 89502 303895535 885434 a-Alanine, conf. I
735544.6140 0.7457 -4.4935 3 897.0116489 89502 303816417 806318 a-Alanine, conf. I
735544.6140 0.7457 -4.4935 3 897.0116489 89502 303816418 806317 a-Alanine, conf. I
735554.2543 1.3862 -5.0229 3 1036.1434597 89502 303994555 984454 a-Alanine, conf. I
735554.2603 1.3862 -5.0229 3 1036.1434597 89502 303994554 984455 a-Alanine, conf. I
735567.2915 1.0223 -4.6952 3 946.2007543 89502 303905436 895337 a-Alanine, conf. I
735567.2915 1.0223 -4.6952 3 946.2007543 89502 303905437 895336 a-Alanine, conf. I
735597.1105 1.1302 -4.3971 3 883.1608447 89502 3037472 2 7371 3 a-Alanine, conf. I
735597.1105 1.1302 -4.3971 3 883.1608447 89502 3037472 3 7371 2 a-Alanine, conf. I
735787.6658 8.3392 -5.2154 3 673.4131501 89502 303832558 822459 a-Alanine, conf. I
735818.3372 8.3099 -5.2154 3 673.4130501 89502 303832658 822359 a-Alanine, conf. I
735927.7769 1.0633 -4.7242 3 954.5877549 89502 303915338 905239 a-Alanine, conf. I
735927.7769 1.0633 -4.7242 3 954.5877549 89502 303915339 905238 a-Alanine, conf. I
736134.1464 1.3590 -4.9766 3 1024.4483591 89502 303984653 974552 a-Alanine, conf. I
736134.1466 1.3590 -4.9766 3 1024.4483591 89502 303984652 974553 a-Alanine, conf. I
736162.0545 0.7572 -4.5121 3 901.9548495 89502 303826319 816220 a-Alanine, conf. I
736162.0545 0.7572 -4.5121 3 901.9548495 89502 303826320 816219 a-Alanine, conf. I
736233.7537 1.1055 -4.7546 3 963.3582555 89502 303925240 915141 a-Alanine, conf. I
736233.7537 1.1055 -4.7546 3 963.3582555 89502 303925241 915140 a-Alanine, conf. I
736284.8791 1.0294 -4.4096 3 885.5182453 89502 3037571 4 7470 5 a-Alanine, conf. I
736284.8791 1.0294 -4.4096 3 885.5182453 89502 3037571 5 7470 4 a-Alanine, conf. I
736475.2103 1.1487 -4.7866 3 972.5182561 89502 303935142 925043 a-Alanine, conf. I
736475.2103 1.1487 -4.7866 3 972.5182561 89502 303935143 925042 a-Alanine, conf. I
736489.6869 1.3227 -4.9337 3 1013.2094585 89502 303974751 964650 a-Alanine, conf. I
736489.6870 1.3227 -4.9337 3 1013.2094585 89502 303974750 964651 a-Alanine, conf. I
736639.6816 1.1929 -4.8203 3 982.0744567 89502 303945044 934945 a-Alanine, conf. I
736639.6816 1.1929 -4.8203 3 982.0744567 89502 303945045 934944 a-Alanine, conf. I
736670.2564 1.2813 -4.8936 3 1002.4096579 89502 303964848 954749 a-Alanine, conf. I
736670.2564 1.2813 -4.8936 3 1002.4096579 89502 303964849 954748 a-Alanine, conf. I
736711.4310 1.2374 -4.8559 3 992.0351573 89502 303954946 944847 a-Alanine, conf. I
736711.4310 1.2374 -4.8559 3 992.0351573 89502 303954947 944846 a-Alanine, conf. I
736765.1354 0.7770 -4.5316 3 907.2503501 89502 303836221 826122 a-Alanine, conf. I
736765.1354 0.7770 -4.5316 3 907.2503501 89502 303836222 826121 a-Alanine, conf. I
736965.7038 0.9439 -4.4228 3 888.2183459 89502 3037670 6 7569 7 a-Alanine, conf. I
736965.7038 0.9439 -4.4228 3 888.2183459 89502 3037670 7 7569 6 a-Alanine, conf. I
737352.0607 0.8031 -4.5521 3 912.8999507 89502 303846123 836024 a-Alanine, conf. I
737352.0607 0.8031 -4.5521 3 912.8999507 89502 303846124 836023 a-Alanine, conf. I
737639.0143 0.8746 -4.4367 3 891.2618465 89502 3037769 8 7668 9 a-Alanine, conf. I
737639.0143 0.8746 -4.4367 3 891.2618465 89502 3037769 9 7668 8 a-Alanine, conf. I
737920.7289 0.8335 -4.5735 3 918.9059513 89502 303856025 845926 a-Alanine, conf. I
737920.7289 0.8335 -4.5735 3 918.9059513 89502 303856026 845925 a-Alanine, conf. I
737951.9665 1.4215 -5.1689 3 1079.7114615 89502 303A24360 A14259 a-Alanine, conf. I
737957.3258 1.4232 -5.1689 3 1079.7112615 89502 303A24359 A14260 a-Alanine, conf. I
738304.1493 0.8219 -4.4515 3 894.6497471 89502 303786810 776711 a-Alanine, conf. I
738304.1493 0.8219 -4.4515 3 894.6497471 89502 303786811 776710 a-Alanine, conf. I
738468.6747 0.8671 -4.5959 3 925.2705519 89502 303865927 855828 a-Alanine, conf. I
738468.6747 0.8671 -4.5959 3 925.2705519 89502 303865928 855827 a-Alanine, conf. I
738960.3420 0.7859 -4.4671 3 898.3833477 89502 303796712 786613 a-Alanine, conf. I
738960.3420 0.7859 -4.4671 3 898.3833477 89502 303796713 786612 a-Alanine, conf. I
738992.9959 0.9029 -4.6194 3 931.9963525 89502 303875829 865730 a-Alanine, conf. I
738992.9959 0.9029 -4.6194 3 931.9963525 89502 303875830 865729 a-Alanine, conf. I
739384.3735 1.4295 -5.1111 3 1066.7904609 89502 303A14458 A04357 a-Alanine, conf. I
739384.6677 1.4297 -5.1111 3 1066.7904609 89502 303A14457 A04358 a-Alanine, conf. I
739490.2623 0.9402 -4.6439 3 939.0863531 89502 303885731 875632 a-Alanine, conf. I
739490.2623 0.9402 -4.6439 3 939.0863531 89502 303885732 875631 a-Alanine, conf. I
739606.7035 0.7656 -4.4835 3 902.4637483 89502 303806614 796515 a-Alanine, conf. I
739606.7035 0.7656 -4.4835 3 902.4637483 89502 303806615 796514 a-Alanine, conf. I
739956.4014 0.9788 -4.6696 3 946.5437537 89502 303895633 885534 a-Alanine, conf. I
739956.4014 0.9788 -4.6696 3 946.5437537 89502 303895634 885533 a-Alanine, conf. I
740242.2021 0.7594 -4.5007 3 906.8922489 89502 303816516 806417 a-Alanine, conf. I
740242.2021 0.7594 -4.5007 3 906.8922489 89502 303816517 806416 a-Alanine, conf. I
740266.6819 1.2114 -4.4079 3 894.3311447 89502 3037473 1 7372 2 a-Alanine, conf. I
740266.6819 1.2114 -4.4079 3 894.3311447 89502 3037473 2 7372 1 a-Alanine, conf. I
740369.3384 1.4213 -5.0592 3 1054.3863603 89502 303A04556 994455 a-Alanine, conf. I
740369.3519 1.4213 -5.0592 3 1054.3863603 89502 303A04555 994456 a-Alanine, conf. I
740386.5510 1.0185 -4.6965 3 954.3721543 89502 303905535 895436 a-Alanine, conf. I
740386.5510 1.0185 -4.6965 3 954.3721543 89502 303905536 895435 a-Alanine, conf. I
740774.8702 1.0593 -4.7247 3 962.5758549 89502 303915437 905338 a-Alanine, conf. I
740774.8702 1.0593 -4.7247 3 962.5758549 89502 303915438 905337 a-Alanine, conf. I
740865.6400 0.7654 -4.5189 3 911.6702495 89502 303826418 816319 a-Alanine, conf. I
740865.6400 0.7654 -4.5189 3 911.6702495 89502 303826419 816318 a-Alanine, conf. I
740957.0430 1.1016 -4.4199 3 896.5291453 89502 3037572 3 7471 4 a-Alanine, conf. I
740957.0430 1.1016 -4.4199 3 896.5291453 89502 3037572 4 7471 3 a-Alanine, conf. I
741033.0710 1.3975 -5.0118 3 1042.4676597 89502 303994654 984553 a-Alanine, conf. I
741033.0715 1.3975 -5.0118 3 1042.4676597 89502 303994653 984554 a-Alanine, conf. I
741114.2892 1.1013 -4.7542 3 971.1594555 89502 303925339 915240 a-Alanine, conf. I
741114.2892 1.1013 -4.7542 3 971.1594555 89502 303925340 915239 a-Alanine, conf. I
741396.1765 1.1444 -4.7852 3 980.1283561 89502 303935241 925142 a-Alanine, conf. I
741396.1765 1.1444 -4.7852 3 980.1283561 89502 303935242 925141 a-Alanine, conf. I
741455.1877 1.3631 -4.9679 3 1031.0110591 89502 303984751 974652 a-Alanine, conf. I
741455.1877 1.3631 -4.9679 3 1031.0110591 89502 303984752 974651 a-Alanine, conf. I
741475.6246 0.7810 -4.5379 3 916.7995501 89502 303836320 826221 a-Alanine, conf. I
741475.6246 0.7810 -4.5379 3 916.7995501 89502 303836321 826220 a-Alanine, conf. I
741609.8853 1.1886 -4.8178 3 989.4889567 89502 303945143 935044 a-Alanine, conf. I
741609.8853 1.1886 -4.8178 3 989.4889567 89502 303945144 935043 a-Alanine, conf. I
741640.6851 1.0069 -4.4327 3 899.0692459 89502 3037671 5 7570 6 a-Alanine, conf. I
741640.6851 1.0069 -4.4327 3 899.0692459 89502 3037671 6 7570 5 a-Alanine, conf. I
741689.9372 1.3225 -4.9269 3 1019.9982585 89502 303974849 964750 a-Alanine, conf. I
741689.9372 1.3225 -4.9269 3 1019.9982585 89502 303974850 964749 a-Alanine, conf. I
741742.1220 1.2336 -4.8521 3 999.2481573 89502 303955045 944946 a-Alanine, conf. I
741742.1220 1.2336 -4.8521 3 999.2481573 89502 303955046 944945 a-Alanine, conf. I
741776.0447 1.2786 -4.8884 3 1009.4146579 89502 303964947 954848 a-Alanine, conf. I
741776.0447 1.2786 -4.8884 3 1009.4146579 89502 303964948 954847 a-Alanine, conf. I
742070.5340 0.8040 -4.5578 3 922.2818507 89502 303846222 836123 a-Alanine, conf. I
742070.5340 0.8040 -4.5578 3 922.2818507 89502 303846223 836122 a-Alanine, conf. I
742317.0869 0.9280 -4.4463 3 901.9521465 89502 3037770 7 7669 8 a-Alanine, conf. I
742317.0869 0.9280 -4.4463 3 901.9521465 89502 3037770 8 7669 7 a-Alanine, conf. I
742451.2104 1.4490 -5.2094 3 1098.6252621 89502 303A34361 A24260 a-Alanine, conf. I
742462.1412 1.4514 -5.2094 3 1098.6249621 89502 303A34360 A24261 a-Alanine, conf. I
742648.4756 0.8325 -4.5787 3 928.1189513 89502 303856124 846025 a-Alanine, conf. I
742648.4756 0.8325 -4.5787 3 928.1189513 89502 303856125 846024 a-Alanine, conf. I
742985.6442 0.8656 -4.4606 3 905.1789471 89502 3037869 9 776810 a-Alanine, conf. I
742985.6442 0.8656 -4.4606 3 905.1789471 89502 303786910 7768 9 a-Alanine, conf. I
743207.2354 0.8648 -4.6005 3 934.3132519 89502 303866026 855927 a-Alanine, conf. I
743207.2354 0.8648 -4.6005 3 934.3132519 89502 303866027 855926 a-Alanine, conf. I
743645.6574 0.8201 -4.4758 3 908.7505477 89502 303796811 786712 a-Alanine, conf. I
743645.6574 0.8201 -4.4758 3 908.7505477 89502 303796812 786711 a-Alanine, conf. I
743744.2155 0.8999 -4.6234 3 940.8670525 89502 303875928 865829 a-Alanine, conf. I
743744.2155 0.8999 -4.6234 3 940.8670525 89502 303875929 865828 a-Alanine, conf. I
744049.4180 1.4586 -5.1497 3 1085.4603615 89502 303A24459 A14358 a-Alanine, conf. I
744050.0495 1.4589 -5.1497 3 1085.4602615 89502 303A24458 A14359 a-Alanine, conf. I
744256.3569 0.9368 -4.6473 3 947.7831531 89502 303885830 875731 a-Alanine, conf. I
744256.3569 0.9368 -4.6473 3 947.7831531 89502 303885831 875730 a-Alanine, conf. I
744296.3163 0.7910 -4.4917 3 912.6682483 89502 303806713 796614 a-Alanine, conf. I
744296.3163 0.7910 -4.4917 3 912.6682483 89502 303806714 796613 a-Alanine, conf. I
744740.0423 0.9751 -4.6723 3 955.0643537 89502 303895732 885633 a-Alanine, conf. I
744740.0423 0.9751 -4.6723 3 955.0643537 89502 303895733 885632 a-Alanine, conf. I
744934.6754 1.2982 -4.4191 3 905.6588447 89502 3037474 0 7373 1 a-Alanine, conf. I
744934.6754 1.2982 -4.4191 3 905.6588447 89502 3037474 1 7373 0 a-Alanine, conf. I
744936.6821 0.7772 -4.5085 3 916.9332489 89502 303816615 806516 a-Alanine, conf. I
744936.6821 0.7772 -4.5085 3 916.9332489 89502 303816616 806515 a-Alanine, conf. I
745152.4747 1.4555 -5.0962 3 1072.8228609 89502 303A14557 A04456 a-Alanine, conf. I
745152.5053 1.4556 -5.0962 3 1072.8228609 89502 303A14556 A04457 a-Alanine, conf. I
745190.9743 1.0147 -4.6985 3 962.7142543 89502 303905634 895535 a-Alanine, conf. I
745190.9743 1.0147 -4.6985 3 962.7142543 89502 303905635 895534 a-Alanine, conf. I
745565.6666 0.7767 -4.5261 3 921.5468495 89502 303826517 816418 a-Alanine, conf. I
745565.6666 0.7767 -4.5261 3 921.5468495 89502 303826518 816417 a-Alanine, conf. I
745604.0172 1.0553 -4.7259 3 970.7366549 89502 303915536 905437 a-Alanine, conf. I
745604.0172 1.0553 -4.7259 3 970.7366549 89502 303915537 905436 a-Alanine, conf. I
745627.5455 1.1796 -4.4308 3 907.6977453 89502 3037573 2 7472 3 a-Alanine, conf. I
745627.5455 1.1796 -4.4308 3 907.6977453 89502 3037573 3 7472 2 a-Alanine, conf. I
745905.9596 1.4357 -5.0476 3 1060.6788603 89502 303A04655 994554 a-Alanine, conf. I
745905.9609 1.4357 -5.0476 3 1060.6788603 89502 303A04654 994555 a-Alanine, conf. I
745972.9936 1.0971 -4.7546 3 979.1356555 89502 303925438 915339 a-Alanine, conf. I
745972.9936 1.0971 -4.7546 3 979.1356555 89502 303925439 915338 a-Alanine, conf. I
746182.0070 0.7873 -4.5447 3 926.5105501 89502 303836419 826320 a-Alanine, conf. I
746182.0070 0.7873 -4.5447 3 926.5105501 89502 303836420 826319 a-Alanine, conf. I
746290.4154 1.1401 -4.7847 3 987.9163561 89502 303935340 925241 a-Alanine, conf. I
746290.4154 1.1401 -4.7847 3 987.9163561 89502 303935341 925240 a-Alanine, conf. I
746313.8964 1.0756 -4.4431 3 910.0781459 89502 3037672 4 7571 5 a-Alanine, conf. I
746313.8964 1.0756 -4.4431 3 910.0781459 89502 3037672 5 7571 4 a-Alanine, conf. I
746398.8607 1.4037 -5.0026 3 1049.0031597 89502 303994752 984653 a-Alanine, conf. I
746398.8607 1.4037 -5.0026 3 1049.0031597 89502 303994753 984652 a-Alanine, conf. I
746547.1218 1.1842 -4.8163 3 997.0843567 89502 303945242 935143 a-Alanine, conf. I
746547.1218 1.1842 -4.8163 3 997.0843567 89502 303945243 935142 a-Alanine, conf. I
746690.9281 1.3641 -4.9608 3 1037.7760591 89502 303984850 974751 a-Alanine, conf. I
746690.9281 1.3641 -4.9608 3 1037.7760591 89502 303984851 974750 a-Alanine, conf. I
746731.7860 1.2293 -4.8495 3 1006.6461573 89502 303955144 945045 a-Alanine, conf. I
746731.7860 1.2293 -4.8495 3 1006.6461573 89502 303955145 945044 a-Alanine, conf. I
746784.2356 0.8066 -4.5641 3 931.8261507 89502 303846321 836222 a-Alanine, conf. I
746784.2356 0.8066 -4.5641 3 931.8261507 89502 303846322 836221 a-Alanine, conf. I
746824.3925 1.3204 -4.9215 3 1026.9823585 89502 303974948 964849 a-Alanine, conf. I
746824.3925 1.3204 -4.9215 3 1026.9823585 89502 303974949 964848 a-Alanine, conf. I
746830.2225 1.2750 -4.8845 3 1016.6091579 89502 303965046 954947 a-Alanine, conf. I
746830.2225 1.2750 -4.8845 3 1016.6091579 89502 303965047 954946 a-Alanine, conf. I
746993.2508 0.9872 -4.4563 3 912.8008465 89502 3037771 6 7670 7 a-Alanine, conf. I
746993.2508 0.9872 -4.4563 3 912.8008465 89502 3037771 7 7670 6 a-Alanine, conf. I
747370.6440 0.8325 -4.5844 3 937.4953513 89502 303856223 846124 a-Alanine, conf. I
747370.6440 0.8325 -4.5844 3 937.4953513 89502 303856224 846123 a-Alanine, conf. I
747665.0564 0.9151 -4.4702 3 915.8667471 89502 3037870 8 7769 9 a-Alanine, conf. I
747665.0564 0.9151 -4.4702 3 915.8667471 89502 3037870 9 7769 8 a-Alanine, conf. I
747939.2388 0.8632 -4.6057 3 943.5203519 89502 303866125 856026 a-Alanine, conf. I
747939.2388 0.8632 -4.6057 3 943.5203519 89502 303866126 856025 a-Alanine, conf. I
748328.6738 0.8600 -4.4849 3 919.2769477 89502 303796910 786811 a-Alanine, conf. I
748328.6738 0.8600 -4.4849 3 919.2769477 89502 303796911 786810 a-Alanine, conf. I
748487.6882 0.8972 -4.6280 3 949.9031525 89502 303876027 865928 a-Alanine, conf. I
748487.6882 0.8972 -4.6280 3 949.9031525 89502 303876028 865927 a-Alanine, conf. I
748670.4587 1.4868 -5.1889 3 1104.3268621 89502 303A34460 A24359 a-Alanine, conf. I
748671.7940 1.4874 -5.1889 3 1104.3268621 89502 303A34459 A24360 a-Alanine, conf. I
748983.3635 0.8216 -4.5004 3 923.0324483 89502 303806812 796713 a-Alanine, conf. I
748983.3635 0.8216 -4.5004 3 923.0324483 89502 303806813 796712 a-Alanine, conf. I
749013.2555 0.9336 -4.6513 3 956.6465531 89502 303885929 875830 a-Alanine, conf. I
749013.2555 0.9336 -4.6513 3 956.6465531 89502 303885930 875829 a-Alanine, conf. I
749512.7173 0.9716 -4.6756 3 963.7530537 89502 303895831 885732 a-Alanine, conf. I
749512.7173 0.9716 -4.6756 3 963.7530537 89502 303895832 885731 a-Alanine, conf. I
749628.2701 0.7993 -4.5167 3 927.1343489 89502 303816714 806615 a-Alanine, conf. I
749628.2701 0.7993 -4.5167 3 927.1343489 89502 303816715 806614 a-Alanine, conf. I
749901.6661 1.4888 -5.1339 3 1091.4536615 89502 303A24558 A14457 a-Alanine, conf. I
749901.7340 1.4888 -5.1339 3 1091.4536615 89502 303A24557 A14458 a-Alanine, conf. I
749982.2601 1.0110 -4.7011 3 971.2259543 89502 303905733 895634 a-Alanine, conf. I
749982.2601 1.0110 -4.7011 3 971.2259543 89502 303905734 895633 a-Alanine, conf. I
750262.4031 0.7916 -4.5339 3 931.5840495 89502 303826616 816517 a-Alanine, conf. I
750262.4031 0.7916 -4.5339 3 931.5840495 89502 303826617 816516 a-Alanine, conf. I
750296.4226 1.2631 -4.4420 3 919.0237453 89502 3037574 1 7473 2 a-Alanine, conf. I
750296.4226 1.2631 -4.4420 3 919.0237453 89502 3037574 2 7473 1 a-Alanine, conf. I
750417.3491 1.0515 -4.7278 3 979.0687549 89502 303915635 905536 a-Alanine, conf. I
750417.3491 1.0515 -4.7278 3 979.0687549 89502 303915636 905535 a-Alanine, conf. I
750751.4116 1.4734 -5.0840 3 1079.0823609 89502 303A14656 A04555 a-Alanine, conf. I
750751.4145 1.4734 -5.0840 3 1079.0823609 89502 303A14655 A04556 a-Alanine, conf. I
750812.5601 1.0931 -4.7557 3 987.2854555 89502 303925537 915438 a-Alanine, conf. I
750812.5601 1.0931 -4.7557 3 987.2854555 89502 303925538 915437 a-Alanine, conf. I
750884.6154 0.7964 -4.5519 3 936.3829501 89502 303836518 826419 a-Alanine, conf. I
750884.6154 0.7964 -4.5519 3 936.3829501 89502 303836519 826418 a-Alanine, conf. I
750985.3887 1.1501 -4.4540 3 921.2448459 89502 3037673 3 7572 4 a-Alanine, conf. I
750985.3887 1.1501 -4.4540 3 921.2448459 89502 3037673 4 7572 3 a-Alanine, conf. I
751161.3596 1.1359 -4.7850 3 995.8803561 89502 303935439 925340 a-Alanine, conf. I
751161.3596 1.1359 -4.7850 3 995.8803561 89502 303935440 925339 a-Alanine, conf. I
751319.6643 1.4441 -5.0380 3 1067.1858603 89502 303A04754 994653 a-Alanine, conf. I
751319.6644 1.4441 -5.0380 3 1067.1858603 89502 303A04753 994654 a-Alanine, conf. I
751455.8144 1.1798 -4.8156 3 1004.8587567 89502 303945341 935242 a-Alanine, conf. I
751455.8144 1.1798 -4.8156 3 1004.8587567 89502 303945342 935241 a-Alanine, conf. I
751493.5764 0.8113 -4.5709 3 941.5325507 89502 303846420 836321 a-Alanine, conf. I
751493.5764 0.8113 -4.5709 3 941.5325507 89502 303846421 836320 a-Alanine, conf. I
751667.5755 1.0523 -4.4667 3 923.8076465 89502 3037772 5 7671 6 a-Alanine, conf. I
751667.5755 1.0523 -4.4667 3 923.8076465 89502 3037772 6 7671 5 a-Alanine, conf. I
751672.4202 1.4060 -4.9952 3 1055.7433597 89502 303994851 984752 a-Alanine, conf. I
751672.4202 1.4060 -4.9952 3 1055.7433597 89502 303994852 984751 a-Alanine, conf. I
751686.1995 1.2249 -4.8478 3 1014.2263573 89502 303955243 945144 a-Alanine, conf. I
751686.1995 1.2249 -4.8478 3 1014.2263573 89502 303955244 945143 a-Alanine, conf. I
751840.4590 1.2709 -4.8816 3 1023.9900579 89502 303965145 955046 a-Alanine, conf. I
751840.4590 1.2709 -4.8816 3 1023.9900579 89502 303965146 955045 a-Alanine, conf. I
751855.8244 1.3628 -4.9551 3 1044.7383591 89502 303984949 974850 a-Alanine, conf. I
751855.8244 1.3628 -4.9551 3 1044.7383591 89502 303984950 974849 a-Alanine, conf. I
751903.4463 1.3172 -4.9173 3 1034.1576585 89502 303975047 964948 a-Alanine, conf. I
751903.4463 1.3172 -4.9173 3 1034.1576585 89502 303975048 964947 a-Alanine, conf. I
752087.7406 0.8340 -4.5907 3 947.0346513 89502 303856322 846223 a-Alanine, conf. I
752087.7406 0.8340 -4.5907 3 947.0346513 89502 303856323 846222 a-Alanine, conf. I
752342.4771 0.9705 -4.4802 3 926.7131471 89502 3037871 7 7770 8 a-Alanine, conf. I
752342.4771 0.9705 -4.4802 3 926.7131471 89502 3037871 8 7770 7 a-Alanine, conf. I
752665.3090 0.8624 -4.6114 3 952.8910519 89502 303866224 856125 a-Alanine, conf. I
752665.3090 0.8624 -4.6114 3 952.8910519 89502 303866225 856124 a-Alanine, conf. I
753009.5087 0.9055 -4.4945 3 929.9622477 89502 3037970 9 786910 a-Alanine, conf. I
753009.5087 0.9055 -4.4945 3 929.9622477 89502 303797010 7869 9 a-Alanine, conf. I
753224.1831 0.8951 -4.6331 3 959.1040525 89502 303876126 866027 a-Alanine, conf. I
753224.1831 0.8951 -4.6331 3 959.1040525 89502 303876127 866026 a-Alanine, conf. I
753667.9946 0.8576 -4.5096 3 933.5559483 89502 303806911 796812 a-Alanine, conf. I
753667.9946 0.8576 -4.5096 3 933.5559483 89502 303806912 796811 a-Alanine, conf. I
753761.9079 0.9306 -4.6559 3 965.6757531 89502 303886028 875929 a-Alanine, conf. I
753761.9079 0.9306 -4.6559 3 965.6757531 89502 303886029 875928 a-Alanine, conf. I
754275.6015 0.9682 -4.6796 3 972.6088537 89502 303895930 885831 a-Alanine, conf. I
754275.6015 0.9682 -4.6796 3 972.6088537 89502 303895931 885830 a-Alanine, conf. I
754317.1538 0.8263 -4.5255 3 937.4953489 89502 303816813 806714 a-Alanine, conf. I
754317.1538 0.8263 -4.5255 3 937.4953489 89502 303816814 806713 a-Alanine, conf. I
754614.7025 1.5209 -5.1723 3 1110.2791621 89502 303A34559 A24458 a-Alanine, conf. I
754614.8511 1.5210 -5.1723 3 1110.2791621 89502 303A34558 A24459 a-Alanine, conf. I
754761.8681 1.0073 -4.7045 3 979.9062543 89502 303905832 895733 a-Alanine, conf. I
754761.8681 1.0073 -4.7045 3 979.9062543 89502 303905833 895732 a-Alanine, conf. I
754956.0837 0.8106 -4.5422 3 941.7816495 89502 303826715 816616 a-Alanine, conf. I
754956.0837 0.8106 -4.5422 3 941.7816495 89502 303826716 816615 a-Alanine, conf. I
754963.7031 1.3523 -4.4537 3 930.5071453 89502 3037575 0 7474 1 a-Alanine, conf. I
754963.7031 1.3523 -4.4537 3 930.5071453 89502 3037575 1 7474 0 a-Alanine, conf. I
755216.6875 1.0476 -4.7304 3 987.5711549 89502 303915734 905635 a-Alanine, conf. I
755216.6875 1.0476 -4.7304 3 987.5711549 89502 303915735 905634 a-Alanine, conf. I
755567.9066 1.5104 -5.1210 3 1097.6785615 89502 303A24657 A14556 a-Alanine, conf. I
755567.9133 1.5104 -5.1210 3 1097.6785615 89502 303A24656 A14557 a-Alanine, conf. I
755583.7405 0.8087 -4.5597 3 946.4162501 89502 303836617 826518 a-Alanine, conf. I
755583.7405 0.8087 -4.5597 3 946.4162501 89502 303836618 826517 a-Alanine, conf. I
755635.2753 1.0891 -4.7576 3 995.6072555 89502 303925636 915537 a-Alanine, conf. I
755635.2753 1.0891 -4.7576 3 995.6072555 89502 303925637 915536 a-Alanine, conf. I
755655.2044 1.2304 -4.4653 3 932.5691459 89502 3037674 2 7573 3 a-Alanine, conf. I
755655.2044 1.2304 -4.4653 3 932.5691459 89502 3037674 3 7573 2 a-Alanine, conf. I
756011.9021 1.1317 -4.7860 3 1004.0186561 89502 303935538 925439 a-Alanine, conf. I
756011.9021 1.1317 -4.7860 3 1004.0186561 89502 303935539 925438 a-Alanine, conf. I
756198.9155 0.8183 -4.5782 3 951.4005507 89502 303846519 836420 a-Alanine, conf. I
756198.9155 0.8183 -4.5782 3 951.4005507 89502 303846520 836419 a-Alanine, conf. I
756216.4826 1.4845 -5.0739 3 1085.5596609 89502 303A14755 A04654 a-Alanine, conf. I
756216.4829 1.4845 -5.0739 3 1085.5596609 89502 303A14754 A04655 a-Alanine, conf. I
756339.6572 1.1755 -4.8158 3 1012.8099567 89502 303945440 935341 a-Alanine, conf. I
756339.6572 1.1755 -4.8158 3 1012.8099567 89502 303945441 935340 a-Alanine, conf. I
756340.1193 1.1232 -4.4776 3 934.9724465 89502 3037773 4 7672 5 a-Alanine, conf. I
756340.1193 1.1232 -4.4776 3 934.9724465 89502 3037773 5 7672 4 a-Alanine, conf. I
756610.1343 1.2204 -4.8470 3 1021.9865573 89502 303955342 945243 a-Alanine, conf. I
756610.1343 1.2204 -4.8470 3 1021.9865573 89502 303955343 945242 a-Alanine, conf. I
756633.5555 1.4482 -5.0301 3 1073.9002603 89502 303A04852 994753 a-Alanine, conf. I
756633.5555 1.4482 -5.0301 3 1073.9002603 89502 303A04853 994752 a-Alanine, conf. I
756800.2077 0.8371 -4.5975 3 956.7361513 89502 303856421 846322 a-Alanine, conf. I
756800.2077 0.8371 -4.5975 3 956.7361513 89502 303856422 846321 a-Alanine, conf. I
756813.0055 1.2665 -4.8798 3 1031.5544579 89502 303965244 955145 a-Alanine, conf. I
756813.0055 1.2665 -4.8798 3 1031.5544579 89502 303965245 955144 a-Alanine, conf. I
756869.6566 1.4057 -4.9892 3 1062.6830597 89502 303994950 984851 a-Alanine, conf. I
756869.6566 1.4057 -4.9892 3 1062.6830597 89502 303994951 984850 a-Alanine, conf. I
756935.4327 1.3133 -4.9143 3 1041.5207585 89502 303975146 965047 a-Alanine, conf. I
756935.4327 1.3133 -4.9143 3 1041.5207585 89502 303975147 965046 a-Alanine, conf. I
756961.2322 1.3601 -4.9507 3 1051.8937591 89502 303985048 974949 a-Alanine, conf. I
756961.2322 1.3601 -4.9507 3 1051.8937591 89502 303985049 974948 a-Alanine, conf. I
757017.9842 1.0318 -4.4907 3 937.7178471 89502 3037872 6 7771 7 a-Alanine, conf. I
757017.9842 1.0318 -4.4907 3 937.7178471 89502 3037872 7 7771 6 a-Alanine, conf. I
757385.9903 0.8628 -4.6177 3 962.4249519 89502 303866323 856224 a-Alanine, conf. I
757385.9903 0.8628 -4.6177 3 962.4249519 89502 303866324 856223 a-Alanine, conf. I
757688.2635 0.9570 -4.5046 3 940.8062477 89502 3037971 8 7870 9 a-Alanine, conf. I
757688.2635 0.9570 -4.5046 3 940.8062477 89502 3037971 9 7870 8 a-Alanine, conf. I
757954.3700 0.8936 -4.6389 3 968.4688525 89502 303876225 866126 a-Alanine, conf. I
757954.3700 0.8936 -4.6389 3 968.4688525 89502 303876226 866125 a-Alanine, conf. I
758350.3389 0.8992 -4.5192 3 944.2385483 89502 303807010 796911 a-Alanine, conf. I
758350.3389 0.8992 -4.5192 3 944.2385483 89502 303807011 796910 a-Alanine, conf. I
758503.1386 0.9280 -4.6610 3 974.8700531 89502 303886127 876028 a-Alanine, conf. I
758503.1386 0.9280 -4.6610 3 974.8700531 89502 303886128 876027 a-Alanine, conf. I
759003.4966 0.8585 -4.5347 3 948.0158489 89502 303816912 806813 a-Alanine, conf. I
759003.4966 0.8585 -4.5347 3 948.0158489 89502 303816913 806812 a-Alanine, conf. I
759029.7122 0.9650 -4.6842 3 981.6309537 89502 303896029 885930 a-Alanine, conf. I
759029.7122 0.9650 -4.6842 3 981.6309537 89502 303896030 885929 a-Alanine, conf. I
759531.0568 1.0037 -4.7084 3 988.7541543 89502 303905931 895832 a-Alanine, conf. I
759531.0568 1.0037 -4.7084 3 988.7541543 89502 303905932 895831 a-Alanine, conf. I
759646.9128 0.8342 -4.5509 3 952.1392495 89502 303826814 816715 a-Alanine, conf. I
759646.9128 0.8342 -4.5509 3 952.1392495 89502 303826815 816714 a-Alanine, conf. I
760003.5955 1.0439 -4.7337 3 996.2427549 89502 303915833 905734 a-Alanine, conf. I
760003.5955 1.0439 -4.7337 3 996.2427549 89502 303915834 905733 a-Alanine, conf. I
760279.6360 0.8248 -4.5680 3 956.6100501 89502 303836716 826617 a-Alanine, conf. I
760279.6360 0.8248 -4.5680 3 956.6100501 89502 303836717 826616 a-Alanine, conf. I
760323.3774 1.3163 -4.4771 3 944.0509459 89502 3037675 1 7574 2 a-Alanine, conf. I
760323.3774 1.3163 -4.4771 3 944.0509459 89502 3037675 2 7574 1 a-Alanine, conf. I
760353.7883 1.5465 -5.1587 3 1116.4676621 89502 303A34658 A24557 a-Alanine, conf. I
760353.8035 1.5466 -5.1587 3 1116.4676621 89502 303A34657 A24558 a-Alanine, conf. I
760443.0911 1.0852 -4.7602 3 1004.1000555 89502 303925735 915636 a-Alanine, conf. I
760443.0911 1.0852 -4.7602 3 1004.1000555 89502 303925736 915635 a-Alanine, conf. I
760844.4958 1.1276 -4.7878 3 1012.3298561 89502 303935637 925538 a-Alanine, conf. I
760844.4958 1.1276 -4.7878 3 1012.3298561 89502 303935638 925537 a-Alanine, conf. I
760900.5666 0.8284 -4.5860 3 961.4297507 89502 303846618 836519 a-Alanine, conf. I
760900.5666 0.8284 -4.5860 3 961.4297507 89502 303846619 836518 a-Alanine, conf. I
761010.9307 1.2000 -4.4890 3 946.2950465 89502 3037774 3 7673 4 a-Alanine, conf. I
761010.9307 1.2000 -4.4890 3 946.2950465 89502 3037774 4 7673 3 a-Alanine, conf. I
761088.1165 1.5245 -5.1104 3 1104.1247615 89502 303A24756 A14655 a-Alanine, conf. I
761088.1171 1.5245 -5.1104 3 1104.1247615 89502 303A24755 A14656 a-Alanine, conf. I
761201.7579 1.1712 -4.8168 3 1020.9363567 89502 303945539 935440 a-Alanine, conf. I
761201.7579 1.1712 -4.8168 3 1020.9363567 89502 303945540 935439 a-Alanine, conf. I
761507.5665 1.2160 -4.8471 3 1029.9245573 89502 303955441 945342 a-Alanine, conf. I
761507.5665 1.2160 -4.8471 3 1029.9245573 89502 303955442 945341 a-Alanine, conf. I
761508.4321 0.8424 -4.6048 3 966.5996513 89502 303856520 846421 a-Alanine, conf. I
761508.4321 0.8424 -4.6048 3 966.5996513 89502 303856521 846420 a-Alanine, conf. I
761573.4218 1.4905 -5.0656 3 1092.2471609 89502 303A14853 A04754 a-Alanine, conf. I
761573.4218 1.4905 -5.0656 3 1092.2471609 89502 303A14854 A04753 a-Alanine, conf. I
761691.6436 1.0991 -4.5017 3 948.8806471 89502 3037873 5 7772 6 a-Alanine, conf. I
761691.6436 1.0991 -4.5017 3 948.8806471 89502 3037873 6 7772 5 a-Alanine, conf. I
761753.0115 1.2620 -4.8789 3 1039.2999579 89502 303965343 955244 a-Alanine, conf. I
761753.0115 1.2620 -4.8789 3 1039.2999579 89502 303965344 955243 a-Alanine, conf. I
761865.1680 1.4490 -5.0238 3 1080.8164603 89502 303A04951 994852 a-Alanine, conf. I
761865.1680 1.4490 -5.0238 3 1080.8164603 89502 303A04952 994851 a-Alanine, conf. I
761927.1209 1.3089 -4.9123 3 1049.0687585 89502 303975245 965146 a-Alanine, conf. I
761927.1209 1.3089 -4.9123 3 1049.0687585 89502 303975246 965145 a-Alanine, conf. I
762002.9926 1.4036 -4.9845 3 1069.8175597 89502 303995049 984950 a-Alanine, conf. I
762002.9926 1.4036 -4.9845 3 1069.8175597 89502 303995050 984949 a-Alanine, conf. I
762016.2160 1.3564 -4.9475 3 1059.2384591 89502 303985147 975048 a-Alanine, conf. I
762016.2160 1.3564 -4.9475 3 1059.2384591 89502 303985148 975047 a-Alanine, conf. I
762101.7581 0.8647 -4.6245 3 972.1215519 89502 303866422 856323 a-Alanine, conf. I
762101.7581 0.8647 -4.6245 3 972.1215519 89502 303866423 856322 a-Alanine, conf. I
762365.0249 1.0144 -4.5151 3 951.8086477 89502 3037972 7 7871 8 a-Alanine, conf. I
762365.0249 1.0144 -4.5151 3 951.8086477 89502 3037972 8 7871 7 a-Alanine, conf. I
762678.8331 0.8932 -4.6452 3 977.9972525 89502 303876324 866225 a-Alanine, conf. I
762678.8331 0.8932 -4.6452 3 977.9972525 89502 303876325 866224 a-Alanine, conf. I
763030.5082 0.9467 -4.5293 3 955.0799483 89502 3038071 9 797010 a-Alanine, conf. I
763030.5082 0.9467 -4.5293 3 955.0799483 89502 303807110 7970 9 a-Alanine, conf. I
763237.6656 0.9261 -4.6668 3 984.2288531 89502 303886226 876127 a-Alanine, conf. I
763237.6656 0.9261 -4.6668 3 984.2288531 89502 303886227 876126 a-Alanine, conf. I
763687.4404 0.8962 -4.5444 3 958.6955489 89502 303817011 806912 a-Alanine, conf. I
763687.4404 0.8962 -4.5444 3 958.6955489 89502 303817012 806911 a-Alanine, conf. I
763775.9326 0.9621 -4.6894 3 990.8185537 89502 303896128 886029 a-Alanine, conf. I
763775.9326 0.9621 -4.6894 3 990.8185537 89502 303896129 886028 a-Alanine, conf. I
764290.9153 1.0003 -4.7130 3 997.7687543 89502 303906030 895931 a-Alanine, conf. I
764290.9153 1.0003 -4.7130 3 997.7687543 89502 303906031 895930 a-Alanine, conf. I
764335.0684 0.8627 -4.5602 3 962.6566495 89502 303826913 816814 a-Alanine, conf. I
764335.0684 0.8627 -4.5602 3 962.6566495 89502 303826914 816813 a-Alanine, conf. I
764779.4206 1.0402 -4.7376 3 1005.0823549 89502 303915932 905833 a-Alanine, conf. I
764779.4206 1.0402 -4.7376 3 1005.0823549 89502 303915933 905832 a-Alanine, conf. I
764972.5237 0.8452 -4.5768 3 966.9642501 89502 303836815 826716 a-Alanine, conf. I
764972.5237 0.8452 -4.5768 3 966.9642501 89502 303836816 826715 a-Alanine, conf. I
764989.9350 1.4080 -4.4893 3 955.6900459 89502 3037676 0 7575 1 a-Alanine, conf. I
764989.9350 1.4080 -4.4893 3 955.6900459 89502 3037676 1 7575 0 a-Alanine, conf. I
765237.6815 1.0813 -4.7634 3 1012.7624555 89502 303925834 915735 a-Alanine, conf. I
765237.6815 1.0813 -4.7634 3 1012.7624555 89502 303925835 915734 a-Alanine, conf. I
765598.8041 0.8418 -4.5943 3 971.6197507 89502 303846717 836618 a-Alanine, conf. I
765598.8041 0.8418 -4.5943 3 971.6197507 89502 303846718 836617 a-Alanine, conf. I
765661.2323 1.1236 -4.7904 3 1020.8125561 89502 303935736 925637 a-Alanine, conf. I
765661.2323 1.1236 -4.7904 3 1020.8125561 89502 303935737 925636 a-Alanine, conf. I
765680.0498 1.2826 -4.5008 3 957.7751465 89502 3037775 2 7674 3 a-Alanine, conf. I
765680.0498 1.2826 -4.5008 3 957.7751465 89502 3037775 3 7674 2 a-Alanine, conf. I
765933.2737 1.5640 -5.1475 3 1122.8815621 89502 303A34757 A24656 a-Alanine, conf. I
765933.2751 1.5640 -5.1475 3 1122.8815621 89502 303A34756 A24657 a-Alanine, conf. I
766044.7476 1.1670 -4.8185 3 1029.2364567 89502 303945638 935539 a-Alanine, conf. I
766044.7476 1.1670 -4.8185 3 1029.2364567 89502 303945639 935538 a-Alanine, conf. I
766212.7519 0.8504 -4.6126 3 976.6246513 89502 303856619 846520 a-Alanine, conf. I
766212.7519 0.8504 -4.6126 3 976.6246513 89502 303856620 846519 a-Alanine, conf. I
766363.5107 1.1722 -4.5131 3 960.2012471 89502 3037874 4 7773 5 a-Alanine, conf. I
766363.5107 1.1722 -4.5131 3 960.2012471 89502 3037874 5 7773 4 a-Alanine, conf. I
766381.8346 1.2116 -4.8480 3 1038.0387573 89502 303955540 945441 a-Alanine, conf. I
766381.8346 1.2116 -4.8480 3 1038.0387573 89502 303955541 945440 a-Alanine, conf. I
766491.0468 1.5327 -5.1017 3 1110.7843615 89502 303A24855 A14754 a-Alanine, conf. I
766491.0469 1.5327 -5.1017 3 1110.7843615 89502 303A24854 A14755 a-Alanine, conf. I
766664.7577 1.2574 -4.8789 3 1047.2243579 89502 303965442 955343 a-Alanine, conf. I
766664.7577 1.2574 -4.8789 3 1047.2243579 89502 303965443 955342 a-Alanine, conf. I
766813.0284 0.8685 -4.6319 3 981.9803519 89502 303866521 856422 a-Alanine, conf. I
766813.0284 0.8685 -4.6319 3 981.9803519 89502 303866522 856421 a-Alanine, conf. I
766841.5968 1.4927 -5.0590 3 1099.1388609 89502 303A14952 A04853 a-Alanine, conf. I
766841.5968 1.4927 -5.0590 3 1099.1388609 89502 303A14953 A04852 a-Alanine, conf. I
766884.0704 1.3044 -4.9113 3 1056.7989585 89502 303975344 965245 a-Alanine, conf. I
766884.0704 1.3044 -4.9113 3 1056.7989585 89502 303975345 965244 a-Alanine, conf. I
767028.1108 1.4477 -5.0189 3 1087.9294603 89502 303A05050 994951 a-Alanine, conf. I
767028.1108 1.4477 -5.0189 3 1087.9294603 89502 303A05051 994950 a-Alanine, conf. I
767028.1110 1.3522 -4.9453 3 1066.7693591 89502 303985246 975147 a-Alanine, conf. I
767028.1110 1.3522 -4.9453 3 1066.7693591 89502 303985247 975146 a-Alanine, conf. I
767039.8668 1.0778 -4.5261 3 962.9692477 89502 3037973 6 7872 7 a-Alanine, conf. I
767039.8668 1.0778 -4.5261 3 962.9692477 89502 3037973 7 7872 6 a-Alanine, conf. I
767082.2969 1.4003 -4.9811 3 1077.1432597 89502 303995148 985049 a-Alanine, conf. I
767082.2969 1.4003 -4.9811 3 1077.1432597 89502 303995149 985048 a-Alanine, conf. I
767398.0828 0.8940 -4.6520 3 987.6886525 89502 303876423 866324 a-Alanine, conf. I
767398.0828 0.8940 -4.6520 3 987.6886525 89502 303876424 866323 a-Alanine, conf. I
767708.5987 1.0001 -4.5399 3 966.0799483 89502 3038072 8 7971 9 a-Alanine, conf. I
767708.5987 1.0001 -4.5399 3 966.0799483 89502 3038072 9 7971 8 a-Alanine, conf. I
767966.1151 0.9249 -4.6731 3 993.7515531 89502 303886325 876226 a-Alanine, conf. I
767966.1151 0.9249 -4.6731 3 993.7515531 89502 303886326 876225 a-Alanine, conf. I
768369.1080 0.9397 -4.5545 3 969.5343489 89502 303817110 807011 a-Alanine, conf. I
768369.1080 0.9397 -4.5545 3 969.5343489 89502 303817111 807010 a-Alanine, conf. I
768515.0315 0.9596 -4.6951 3 1000.1710537 89502 303896227 886128 a-Alanine, conf. I
768515.0315 0.9596 -4.6951 3 1000.1710537 89502 303896228 886127 a-Alanine, conf. I
769020.7055 0.8966 -4.5699 3 973.3334495 89502 303827012 816913 a-Alanine, conf. I
769020.7055 0.8966 -4.5699 3 973.3334495 89502 303827013 816912 a-Alanine, conf. I
769042.3891 0.9971 -4.7181 3 1006.9494543 89502 303906129 896030 a-Alanine, conf. I
769042.3891 0.9971 -4.7181 3 1006.9494543 89502 303906130 896029 a-Alanine, conf. I
769545.3281 1.0366 -4.7422 3 1014.0893549 89502 303916031 905932 a-Alanine, conf. I
769545.3281 1.0366 -4.7422 3 1014.0893549 89502 303916032 905931 a-Alanine, conf. I
769662.5971 0.8702 -4.5861 3 977.4783501 89502 303836914 826815 a-Alanine, conf. I
769662.5971 0.8702 -4.5861 3 977.4783501 89502 303836915 826814 a-Alanine, conf. I
770020.4883 1.0775 -4.7673 3 1021.5936555 89502 303925933 915834 a-Alanine, conf. I
770020.4883 1.0775 -4.7673 3 1021.5936555 89502 303925934 915833 a-Alanine, conf. I
770293.8680 0.8591 -4.6031 3 981.9702507 89502 303846816 836717 a-Alanine, conf. I
770293.8680 0.8591 -4.6031 3 981.9702507 89502 303846817 836716 a-Alanine, conf. I
770347.5089 1.3709 -4.5130 3 969.4126465 89502 3037776 1 7675 2 a-Alanine, conf. I
770347.5089 1.3709 -4.5130 3 969.4126465 89502 3037776 2 7675 1 a-Alanine, conf. I
770463.9034 1.1196 -4.7936 3 1029.4656561 89502 303935835 925736 a-Alanine, conf. I
770463.9034 1.1196 -4.7936 3 1029.4656561 89502 303935836 925735 a-Alanine, conf. I
770870.8670 1.1629 -4.8210 3 1037.7088567 89502 303945737 935638 a-Alanine, conf. I
770870.8670 1.1629 -4.8210 3 1037.7088567 89502 303945738 935637 a-Alanine, conf. I
770913.4633 0.8613 -4.6210 3 986.8106513 89502 303856718 846619 a-Alanine, conf. I
770913.4633 0.8613 -4.6210 3 986.8106513 89502 303856719 846618 a-Alanine, conf. I
771033.6316 1.2513 -4.5249 3 971.6796471 89502 3037875 3 7774 4 a-Alanine, conf. I
771033.6316 1.2513 -4.5249 3 971.6796471 89502 3037875 4 7774 3 a-Alanine, conf. I
771235.7610 1.2073 -4.8497 3 1046.3273573 89502 303955639 945540 a-Alanine, conf. I
771235.7610 1.2073 -4.8497 3 1046.3273573 89502 303955640 945539 a-Alanine, conf. I
771385.3922 1.5749 -5.1384 3 1129.5119621 89502 303A34856 A24755 a-Alanine, conf. I
771385.3923 1.5749 -5.1384 3 1129.5119621 89502 303A34855 A24756 a-Alanine, conf. I
771520.1652 0.8746 -4.6397 3 992.0008519 89502 303866620 856521 a-Alanine, conf. I
771520.1652 0.8746 -4.6397 3 992.0008519 89502 303866621 856520 a-Alanine, conf. I
771551.8312 1.2529 -4.8797 3 1055.3257579 89502 303965541 955442 a-Alanine, conf. I
771551.8312 1.2529 -4.8797 3 1055.3257579 89502 303965542 955441 a-Alanine, conf. I
771712.8520 1.1472 -4.5376 3 974.2879477 89502 3037974 5 7873 6 a-Alanine, conf. I
771712.8520 1.1472 -4.5376 3 974.2879477 89502 3037974 6 7873 5 a-Alanine, conf. I
771798.1369 1.5366 -5.0947 3 1117.6505615 89502 303A24953 A14854 a-Alanine, conf. I
771798.1369 1.5366 -5.0947 3 1117.6505615 89502 303A24954 A14853 a-Alanine, conf. I
771810.8912 1.2998 -4.9111 3 1064.7092585 89502 303975443 965344 a-Alanine, conf. I
771810.8912 1.2998 -4.9111 3 1064.7092585 89502 303975444 965343 a-Alanine, conf. I
772002.9223 1.3476 -4.9441 3 1074.4838591 89502 303985345 975246 a-Alanine, conf. I
772002.9223 1.3476 -4.9441 3 1074.4838591 89502 303985346 975245 a-Alanine, conf. I
772035.9396 1.4923 -5.0538 3 1106.2295609 89502 303A15051 A04952 a-Alanine, conf. I
772035.9396 1.4923 -5.0538 3 1106.2295609 89502 303A15052 A04951 a-Alanine, conf. I
772112.5656 0.8964 -4.6594 3 997.5425525 89502 303876522 866423 a-Alanine, conf. I
772112.5656 0.8964 -4.6594 3 997.5425525 89502 303876523 866422 a-Alanine, conf. I
772115.5242 1.3963 -4.9788 3 1084.6565597 89502 303995247 985148 a-Alanine, conf. I
772115.5242 1.3963 -4.9788 3 1084.6565597 89502 303995248 985147 a-Alanine, conf. I
772133.1407 1.4449 -5.0153 3 1095.2352603 89502 303A05149 995050 a-Alanine, conf. I
772133.1407 1.4449 -5.0153 3 1095.2352603 89502 303A05150 995049 a-Alanine, conf. I
772384.6931 1.0596 -4.5509 3 977.2383483 89502 3038073 7 7972 8 a-Alanine, conf. I
772384.6931 1.0596 -4.5509 3 977.2383483 89502 3038073 8 7972 7 a-Alanine, conf. I
772689.0345 0.9247 -4.6799 3 1003.4375531 89502 303886424 876325 a-Alanine, conf. I
772689.0345 0.9247 -4.6799 3 1003.4375531 89502 303886425 876324 a-Alanine, conf. I
773048.6058 0.9891 -4.5651 3 980.5319489 89502 3038172 9 807110 a-Alanine, conf. I
773048.6058 0.9891 -4.5651 3 980.5319489 89502 303817210 8071 9 a-Alanine, conf. I
773247.6799 0.9578 -4.7014 3 1009.6877537 89502 303896326 886227 a-Alanine, conf. I
773247.6799 0.9578 -4.7014 3 1009.6877537 89502 303896327 886226 a-Alanine, conf. I
773703.9587 0.9361 -4.5801 3 984.1694495 89502 303827111 817012 a-Alanine, conf. I
773703.9587 0.9361 -4.5801 3 984.1694495 89502 303827112 817011 a-Alanine, conf. I
773786.3008 0.9943 -4.7238 3 1016.2953543 89502 303906228 896129 a-Alanine, conf. I
773786.3008 0.9943 -4.7238 3 1016.2953543 89502 303906229 896128 a-Alanine, conf. I
774302.3291 1.0332 -4.7473 3 1023.2627549 89502 303916130 906031 a-Alanine, conf. I
774302.3291 1.0332 -4.7473 3 1023.2627549 89502 303916131 906030 a-Alanine, conf. I
774350.0249 0.9003 -4.5958 3 988.1520501 89502 303837013 826914 a-Alanine, conf. I
774350.0249 0.9003 -4.5958 3 988.1520501 89502 303837014 826913 a-Alanine, conf. I
774792.7577 1.0738 -4.7718 3 1030.5926555 89502 303926032 915933 a-Alanine, conf. I
774792.7577 1.0738 -4.7718 3 1030.5926555 89502 303926033 915932 a-Alanine, conf. I
774985.9682 0.8808 -4.6124 3 992.4809507 89502 303846915 836816 a-Alanine, conf. I
774985.9682 0.8808 -4.6124 3 992.4809507 89502 303846916 836815 a-Alanine, conf. I
775013.3337 1.4651 -4.5257 3 981.2073465 89502 3037777 0 7676 1 a-Alanine, conf. I
775013.3337 1.4651 -4.5257 3 981.2073465 89502 3037777 1 7676 0 a-Alanine, conf. I
775254.0512 1.1157 -4.7974 3 1038.2880561 89502 303935934 925835 a-Alanine, conf. I
775254.0512 1.1157 -4.7974 3 1038.2880561 89502 303935935 925834 a-Alanine, conf. I
775610.8256 0.8759 -4.6298 3 997.1573513 89502 303856817 846718 a-Alanine, conf. I
775610.8256 0.8759 -4.6298 3 997.1573513 89502 303856818 846717 a-Alanine, conf. I
775682.0337 1.1588 -4.8241 3 1046.3522567 89502 303945836 935737 a-Alanine, conf. I
775682.0337 1.1588 -4.8241 3 1046.3522567 89502 303945837 935736 a-Alanine, conf. I
775702.0445 1.3363 -4.5372 3 983.3154471 89502 3037876 2 7775 3 a-Alanine, conf. I
775702.0445 1.3363 -4.5372 3 983.3154471 89502 3037876 3 7775 2 a-Alanine, conf. I
776071.7454 1.2031 -4.8521 3 1054.7889573 89502 303955738 945639 a-Alanine, conf. I
776071.7454 1.2031 -4.8521 3 1054.7889573 89502 303955739 945638 a-Alanine, conf. I
776223.4874 0.8833 -4.6481 3 1002.1827519 89502 303866719 856620 a-Alanine, conf. I
776223.4874 0.8833 -4.6481 3 1002.1827519 89502 303866720 856619 a-Alanine, conf. I
776384.0332 1.2226 -4.5494 3 985.7643477 89502 3037975 4 7874 5 a-Alanine, conf. I
776384.0332 1.2226 -4.5494 3 985.7643477 89502 3037975 5 7874 4 a-Alanine, conf. I
776417.2591 1.2485 -4.8813 3 1063.6024579 89502 303965640 955541 a-Alanine, conf. I
776417.2591 1.2485 -4.8813 3 1063.6024579 89502 303965641 955540 a-Alanine, conf. I
776711.4380 1.2952 -4.9119 3 1072.7974585 89502 303975542 965443 a-Alanine, conf. I
776711.4380 1.2952 -4.9119 3 1072.7974585 89502 303975543 965442 a-Alanine, conf. I
776733.9334 1.5807 -5.1310 3 1136.3516621 89502 303A34954 A24855 a-Alanine, conf. I
776733.9334 1.5807 -5.1310 3 1136.3516621 89502 303A34955 A24854 a-Alanine, conf. I
776822.6731 0.9008 -4.6672 3 1007.5584525 89502 303876621 866522 a-Alanine, conf. I
776822.6731 0.9008 -4.6672 3 1007.5584525 89502 303876622 866521 a-Alanine, conf. I
776945.6164 1.3430 -4.9439 3 1082.3794591 89502 303985444 975345 a-Alanine, conf. I
776945.6164 1.3430 -4.9439 3 1082.3794591 89502 303985445 975344 a-Alanine, conf. I
777025.7975 1.5374 -5.0893 3 1124.7179615 89502 303A25052 A14953 a-Alanine, conf. I
777025.7975 1.5374 -5.0893 3 1124.7179615 89502 303A25053 A14952 a-Alanine, conf. I
777058.8615 1.1251 -4.5624 3 988.5549483 89502 3038074 6 7973 7 a-Alanine, conf. I
777058.8615 1.1251 -4.5624 3 988.5549483 89502 3038074 7 7973 6 a-Alanine, conf. I
777109.1649 1.3918 -4.9774 3 1092.3546597 89502 303995346 985247 a-Alanine, conf. I
777109.1649 1.3918 -4.9774 3 1092.3546597 89502 303995347 985246 a-Alanine, conf. I
777168.1885 1.4902 -5.0499 3 1113.5147609 89502 303A15150 A05051 a-Alanine, conf. I
777168.1885 1.4902 -5.0499 3 1113.5147609 89502 303A15151 A05050 a-Alanine, conf. I
777188.8910 1.4411 -5.0127 3 1102.7303603 89502 303A05248 995149 a-Alanine, conf. I
777188.8910 1.4411 -5.0127 3 1102.7303603 89502 303A05249 995148 a-Alanine, conf. I
777406.9030 0.9260 -4.6873 3 1013.2863531 89502 303886523 876424 a-Alanine, conf. I
777406.9030 0.9260 -4.6873 3 1013.2863531 89502 303886524 876423 a-Alanine, conf. I
777726.0252 1.0445 -4.5762 3 991.6879489 89502 3038173 8 8072 9 a-Alanine, conf. I
777726.0252 1.0445 -4.5762 3 991.6879489 89502 3038173 9 8072 8 a-Alanine, conf. I
777974.4640 0.9569 -4.7082 3 1019.3681537 89502 303896425 886326 a-Alanine, conf. I
777974.4640 0.9569 -4.7082 3 1019.3681537 89502 303896426 886325 a-Alanine, conf. I
778384.9448 0.9814 -4.5907 3 995.1643495 89502 303827210 817111 a-Alanine, conf. I
778384.9448 0.9814 -4.5907 3 995.1643495 89502 303827211 817110 a-Alanine, conf. I
778523.3685 0.9920 -4.7301 3 1025.8059543 89502 303906327 896228 a-Alanine, conf. I
778523.3685 0.9920 -4.7301 3 1025.8059543 89502 303906328 896227 a-Alanine, conf. I
779034.9543 0.9359 -4.6060 3 998.9852501 89502 303837112 827013 a-Alanine, conf. I
779034.9543 0.9359 -4.6060 3 998.9852501 89502 303837113 827012 a-Alanine, conf. I
779051.3038 1.0300 -4.7530 3 1032.6019549 89502 303916229 906130 a-Alanine, conf. I
779051.3038 1.0300 -4.7530 3 1032.6019549 89502 303916230 906129 a-Alanine, conf. I
779555.5708 1.0702 -4.7769 3 1039.7586555 89502 303926131 916032 a-Alanine, conf. I
779555.5708 1.0702 -4.7769 3 1039.7586555 89502 303926132 916031 a-Alanine, conf. I
779675.2881 0.9074 -4.6222 3 1003.1515507 89502 303847014 836915 a-Alanine, conf. I
779675.2881 0.9074 -4.6222 3 1003.1515507 89502 303847015 836914 a-Alanine, conf. I
780033.0080 1.1119 -4.8019 3 1047.2788561 89502 303936033 925934 a-Alanine, conf. I
780033.0080 1.1119 -4.8019 3 1047.2788561 89502 303936034 925933 a-Alanine, conf. I
780305.0659 0.8945 -4.6391 3 1007.6645513 89502 303856916 846817 a-Alanine, conf. I
780305.0659 0.8945 -4.6391 3 1007.6645513 89502 303856917 846816 a-Alanine, conf. I
780368.7798 1.4271 -4.5499 3 995.1086471 89502 3037877 1 7776 2 a-Alanine, conf. I
780368.7798 1.4271 -4.5499 3 995.1086471 89502 3037877 2 7776 1 a-Alanine, conf. I
780479.8964 1.1548 -4.8280 3 1055.1655567 89502 303945935 935836 a-Alanine, conf. I
780479.8964 1.1548 -4.8280 3 1055.1655567 89502 303945936 935835 a-Alanine, conf. I
780891.8398 1.1990 -4.8552 3 1063.4223573 89502 303955837 945738 a-Alanine, conf. I
780891.8398 1.1990 -4.8552 3 1063.4223573 89502 303955838 945737 a-Alanine, conf. I
780923.2749 0.8954 -4.6569 3 1012.5255519 89502 303866818 856719 a-Alanine, conf. I
780923.2749 0.8954 -4.6569 3 1012.5255519 89502 303866819 856718 a-Alanine, conf. I
781053.4542 1.3040 -4.5618 3 997.3985477 89502 3037976 3 7875 4 a-Alanine, conf. I
781053.4542 1.3040 -4.5618 3 997.3985477 89502 3037976 4 7875 3 a-Alanine, conf. I
781263.6117 1.2442 -4.8836 3 1072.0530579 89502 303965739 955640 a-Alanine, conf. I
781263.6117 1.2442 -4.8836 3 1072.0530579 89502 303965740 955639 a-Alanine, conf. I
781528.7483 0.9076 -4.6756 3 1017.7359525 89502 303876720 866621 a-Alanine, conf. I
781528.7483 0.9076 -4.6756 3 1017.7359525 89502 303876721 866620 a-Alanine, conf. I
781588.9579 1.2907 -4.9134 3 1081.0619585 89502 303975641 965542 a-Alanine, conf. I
781588.9579 1.2907 -4.9134 3 1081.0619585 89502 303975642 965541 a-Alanine, conf. I
781648.0777 1.6248 -5.1678 3 1155.2425627 89502 303A44955 A34856 a-Alanine, conf. I
781648.0777 1.6248 -5.1678 3 1155.2425627 89502 303A44956 A34855 a-Alanine, conf. I
781731.1636 1.1967 -4.5744 3 1000.0294483 89502 3038075 5 7974 6 a-Alanine, conf. I
781731.1636 1.1967 -4.5744 3 1000.0294483 89502 3038075 6 7974 5 a-Alanine, conf. I
781860.3365 1.3383 -4.9445 3 1090.4540591 89502 303985543 975444 a-Alanine, conf. I
781860.3365 1.3383 -4.9445 3 1090.4540591 89502 303985544 975443 a-Alanine, conf. I
781996.9666 1.5829 -5.1252 3 1143.3949621 89502 303A35053 A24954 a-Alanine, conf. I
781996.9666 1.5829 -5.1252 3 1143.3949621 89502 303A35054 A24953 a-Alanine, conf. I
782068.5714 1.3871 -4.9771 3 1100.2351597 89502 303995445 985346 a-Alanine, conf. I
782068.5714 1.3871 -4.9771 3 1100.2351597 89502 303995446 985345 a-Alanine, conf. I
782120.1407 0.9290 -4.6951 3 1023.2974531 89502 303886622 876523 a-Alanine, conf. I
782120.1407 0.9290 -4.6951 3 1023.2974531 89502 303886623 876522 a-Alanine, conf. I
782186.8552 1.5360 -5.0851 3 1131.9818615 89502 303A25151 A15052 a-Alanine, conf. I
782186.8552 1.5360 -5.0851 3 1131.9818615 89502 303A25152 A15051 a-Alanine, conf. I
782202.3812 1.4368 -5.0113 3 1110.4115603 89502 303A05347 995248 a-Alanine, conf. I
782202.3812 1.4368 -5.0113 3 1110.4115603 89502 303A05348 995247 a-Alanine, conf. I
782247.7225 1.4868 -5.0472 3 1120.9908609 89502 303A15249 A05150 a-Alanine, conf. I
782247.7225 1.4868 -5.0472 3 1120.9908609 89502 303A15250 A05149 a-Alanine, conf. I
782401.4446 1.1061 -4.5877 3 1003.0023489 89502 3038174 7 8073 8 a-Alanine, conf. I
782401.4446 1.1061 -4.5877 3 1003.0023489 89502 3038174 8 8073 7 a-Alanine, conf. I
782695.8976 0.9572 -4.7156 3 1029.2116537 89502 303896524 886425 a-Alanine, conf. I
782695.8976 0.9572 -4.7156 3 1029.2116537 89502 303896525 886424 a-Alanine, conf. I
783063.7649 1.0328 -4.6018 3 1006.3180495 89502 3038273 9 817210 a-Alanine, conf. I
783063.7649 1.0328 -4.6018 3 1006.3180495 89502 303827310 8172 9 a-Alanine, conf. I
783254.2198 0.9904 -4.7370 3 1035.4804543 89502 303906426 896327 a-Alanine, conf. I
783254.2198 0.9904 -4.7370 3 1035.4804543 89502 303906427 896326 a-Alanine, conf. I
783717.5132 0.9772 -4.6167 3 1009.9774501 89502 303837211 827112 a-Alanine, conf. I
783717.5132 0.9772 -4.6167 3 1009.9774501 89502 303837212 827111 a-Alanine, conf. I
783793.0195 1.0273 -4.7593 3 1042.1060549 89502 303916328 906229 a-Alanine, conf. I
783793.0195 1.0273 -4.7593 3 1042.1060549 89502 303916329 906228 a-Alanine, conf. I
784309.8677 1.0668 -4.7826 3 1049.0907555 89502 303926230 916131 a-Alanine, conf. I
784309.8677 1.0668 -4.7826 3 1049.0907555 89502 303926231 916130 a-Alanine, conf. I
784361.9878 0.9391 -4.6324 3 1013.9816507 89502 303847113 837014 a-Alanine, conf. I
784361.9878 0.9391 -4.6324 3 1013.9816507 89502 303847114 837013 a-Alanine, conf. I
784801.9285 1.1081 -4.8070 3 1056.4369561 89502 303936132 926033 a-Alanine, conf. I
784801.9285 1.1081 -4.8070 3 1056.4369561 89502 303936133 926032 a-Alanine, conf. I
784996.3830 0.9176 -4.6489 3 1018.3317513 89502 303857015 846916 a-Alanine, conf. I
784996.3830 0.9176 -4.6489 3 1018.3317513 89502 303857016 846915 a-Alanine, conf. I
785033.8618 1.5237 -4.5631 3 1007.0590471 89502 3037878 0 7777 1 a-Alanine, conf. I
785033.8618 1.5237 -4.5631 3 1007.0590471 89502 3037878 1 7777 0 a-Alanine, conf. I
785265.8787 1.1509 -4.8324 3 1064.1477567 89502 303946034 935935 a-Alanine, conf. I
785265.8787 1.1509 -4.8324 3 1064.1477567 89502 303946035 935934 a-Alanine, conf. I
785619.7728 0.9111 -4.6663 3 1023.0289519 89502 303866917 856818 a-Alanine, conf. I
785619.7728 0.9111 -4.6663 3 1023.0289519 89502 303866918 856817 a-Alanine, conf. I
785697.8065 1.1948 -4.8589 3 1072.2262573 89502 303955936 945837 a-Alanine, conf. I
785697.8065 1.1948 -4.8589 3 1072.2262573 89502 303955937 945836 a-Alanine, conf. I
785721.1510 1.3914 -4.5746 3 1009.1900477 89502 3037977 2 7876 3 a-Alanine, conf. I
785721.1510 1.3914 -4.5746 3 1009.1900477 89502 3037977 3 7876 2 a-Alanine, conf. I
786093.0841 1.2400 -4.8867 3 1080.6759579 89502 303965838 955739 a-Alanine, conf. I
786093.0841 1.2400 -4.8867 3 1080.6759579 89502 303965839 955738 a-Alanine, conf. I
786231.0925 0.9173 -4.6845 3 1028.0747525 89502 303876819 866720 a-Alanine, conf. I
786231.0925 0.9173 -4.6845 3 1028.0747525 89502 303876820 866719 a-Alanine, conf. I
786401.6496 1.2745 -4.5867 3 1011.6617483 89502 3038076 4 7975 5 a-Alanine, conf. I
786401.6496 1.2745 -4.5867 3 1011.6617483 89502 3038076 5 7975 4 a-Alanine, conf. I
786446.2039 1.2862 -4.9156 3 1089.5009585 89502 303975740 965641 a-Alanine, conf. I
786446.2039 1.2862 -4.9156 3 1089.5009585 89502 303975741 965640 a-Alanine, conf. I
786750.5660 1.3337 -4.9459 3 1098.7057591 89502 303985642 975543 a-Alanine, conf. I
786750.5660 1.3337 -4.9459 3 1098.7057591 89502 303985643 975542 a-Alanine, conf. I
786829.1162 0.9340 -4.7035 3 1033.4704531 89502 303886721 876622 a-Alanine, conf. I
786829.1162 0.9340 -4.7035 3 1033.4704531 89502 303886722 876621 a-Alanine, conf. I
786948.6888 1.6286 -5.1617 3 1162.2607627 89502 303A45054 A34955 a-Alanine, conf. I
786948.6888 1.6286 -5.1617 3 1162.2607627 89502 303A45055 A34954 a-Alanine, conf. I
786998.1986 1.3824 -4.9775 3 1108.2956597 89502 303995544 985445 a-Alanine, conf. I
786998.1986 1.3824 -4.9775 3 1108.2956597 89502 303995545 985444 a-Alanine, conf. I
787074.9310 1.1738 -4.5997 3 1014.4748489 89502 3038175 6 8074 7 a-Alanine, conf. I
787074.9310 1.1738 -4.5997 3 1014.4748489 89502 3038175 7 8074 6 a-Alanine, conf. I
787179.3826 1.4322 -5.0107 3 1118.2762603 89502 303A05446 995347 a-Alanine, conf. I
787179.3826 1.4322 -5.0107 3 1118.2762603 89502 303A05447 995346 a-Alanine, conf. I
787188.5274 1.5824 -5.1208 3 1150.6367621 89502 303A35152 A25053 a-Alanine, conf. I
787188.5274 1.5824 -5.1208 3 1150.6367621 89502 303A35153 A25052 a-Alanine, conf. I
787282.1387 1.4826 -5.0455 3 1128.6545609 89502 303A15348 A05249 a-Alanine, conf. I
787282.1387 1.4826 -5.0455 3 1128.6545609 89502 303A15349 A05248 a-Alanine, conf. I
787291.5093 1.5331 -5.0822 3 1139.4383615 89502 303A25250 A15151 a-Alanine, conf. I
787291.5093 1.5331 -5.0822 3 1139.4383615 89502 303A25251 A15150 a-Alanine, conf. I
787412.4309 0.9589 -4.7235 3 1039.2178537 89502 303896623 886524 a-Alanine, conf. I
787412.4309 0.9589 -4.7235 3 1039.2178537 89502 303896624 886523 a-Alanine, conf. I
787740.5058 1.0903 -4.6134 3 1017.6301495 89502 3038274 8 8173 9 a-Alanine, conf. I
787740.5058 1.0903 -4.6134 3 1017.6301495 89502 3038274 9 8173 8 a-Alanine, conf. I
787979.4044 0.9898 -4.7443 3 1045.3185543 89502 303906525 896426 a-Alanine, conf. I
787979.4044 0.9898 -4.7443 3 1045.3185543 89502 303906526 896425 a-Alanine, conf. I
788397.8125 1.0245 -4.6279 3 1021.1285501 89502 303837310 827211 a-Alanine, conf. I
788397.8125 1.0245 -4.6279 3 1021.1285501 89502 303837311 827210 a-Alanine, conf. I
788528.1478 1.0252 -4.7661 3 1051.7746549 89502 303916427 906328 a-Alanine, conf. I
788528.1478 1.0252 -4.7661 3 1051.7746549 89502 303916428 906327 a-Alanine, conf. I
789046.2071 0.9765 -4.6431 3 1024.9710507 89502 303847212 837113 a-Alanine, conf. I
789046.2071 0.9765 -4.6431 3 1024.9710507 89502 303847213 837112 a-Alanine, conf. I
789056.4690 1.0637 -4.7889 3 1058.5882555 89502 303926329 916230 a-Alanine, conf. I
789056.4690 1.0637 -4.7889 3 1058.5882555 89502 303926330 916229 a-Alanine, conf. I
789561.8173 1.1045 -4.8127 3 1065.7617561 89502 303936231 926132 a-Alanine, conf. I
789561.8173 1.1045 -4.8127 3 1065.7617561 89502 303936232 926131 a-Alanine, conf. I
789684.9509 0.9457 -4.6592 3 1029.1586513 89502 303857114 847015 a-Alanine, conf. I
789684.9509 0.9457 -4.6592 3 1029.1586513 89502 303857115 847014 a-Alanine, conf. I
790041.2138 1.1470 -4.8375 3 1073.2979567 89502 303946133 936034 a-Alanine, conf. I
790041.2138 1.1470 -4.8375 3 1073.2979567 89502 303946134 936033 a-Alanine, conf. I
790313.1963 0.9310 -4.6761 3 1033.6927519 89502 303867016 856917 a-Alanine, conf. I
790313.1963 0.9310 -4.6761 3 1033.6927519 89502 303867017 856916 a-Alanine, conf. I
790387.1527 1.4847 -4.5878 3 1021.1389477 89502 3037978 1 7877 2 a-Alanine, conf. I
790387.1527 1.4847 -4.5878 3 1021.1389477 89502 3037978 2 7877 1 a-Alanine, conf. I
790491.1658 1.1908 -4.8634 3 1081.1995573 89502 303956035 945936 a-Alanine, conf. I
790491.1658 1.1908 -4.8634 3 1081.1995573 89502 303956036 945935 a-Alanine, conf. I
790907.5596 1.2358 -4.8904 3 1089.4700579 89502 303965937 955838 a-Alanine, conf. I
790907.5596 1.2358 -4.8904 3 1089.4700579 89502 303965938 955837 a-Alanine, conf. I
790929.9700 0.9304 -4.6938 3 1038.5743525 89502 303876918 866819 a-Alanine, conf. I
790929.9700 0.9304 -4.6938 3 1038.5743525 89502 303876919 866818 a-Alanine, conf. I
791070.3610 1.3582 -4.5996 3 1023.4516483 89502 3038077 3 7976 4 a-Alanine, conf. I
791070.3610 1.3582 -4.5996 3 1023.4516483 89502 3038077 4 7976 3 a-Alanine, conf. I
791285.5236 1.2819 -4.9186 3 1098.1131585 89502 303975839 965740 a-Alanine, conf. I
791285.5236 1.2819 -4.9186 3 1098.1131585 89502 303975840 965739 a-Alanine, conf. I
791534.1534 0.9417 -4.7124 3 1043.8049531 89502 303886820 876721 a-Alanine, conf. I
791534.1534 0.9417 -4.7124 3 1043.8049531 89502 303886821 876720 a-Alanine, conf. I
791619.2534 1.3292 -4.9481 3 1107.1329591 89502 303985741 975642 a-Alanine, conf. I
791619.2534 1.3292 -4.9481 3 1107.1329591 89502 303985742 975641 a-Alanine, conf. I
791746.5411 1.2477 -4.6121 3 1026.1052489 89502 3038176 5 8075 6 a-Alanine, conf. I
791746.5411 1.2477 -4.6121 3 1026.1052489 89502 3038176 6 8075 5 a-Alanine, conf. I
791901.7837 1.3777 -4.9789 3 1116.5341597 89502 303995643 985544 a-Alanine, conf. I
791901.7837 1.3777 -4.9789 3 1116.5341597 89502 303995644 985543 a-Alanine, conf. I
792124.4596 0.9624 -4.7319 3 1049.3861537 89502 303896722 886623 a-Alanine, conf. I
792124.4596 0.9624 -4.7319 3 1049.3861537 89502 303896723 886622 a-Alanine, conf. I
792124.6863 1.4274 -5.0111 3 1126.3221603 89502 303A05545 995446 a-Alanine, conf. I
792124.6863 1.4274 -5.0111 3 1126.3221603 89502 303A05546 995445 a-Alanine, conf. I
792277.6632 1.4781 -5.0449 3 1136.5030609 89502 303A15447 A05348 a-Alanine, conf. I
792277.6632 1.4781 -5.0449 3 1136.5030609 89502 303A15448 A05347 a-Alanine, conf. I
792319.7194 1.5802 -5.1176 3 1158.0728621 89502 303A35251 A25152 a-Alanine, conf. I
792319.7194 1.5802 -5.1176 3 1158.0728621 89502 303A35252 A25151 a-Alanine, conf. I
792347.9883 1.5293 -5.0803 3 1147.0838615 89502 303A25349 A15250 a-Alanine, conf. I
792347.9883 1.5293 -5.0803 3 1147.0838615 89502 303A25350 A15249 a-Alanine, conf. I
792415.2424 1.1540 -4.6254 3 1029.1004495 89502 3038275 7 8174 8 a-Alanine, conf. I
792415.2424 1.1540 -4.6254 3 1029.1004495 89502 3038275 8 8174 7 a-Alanine, conf. I
792699.4049 0.9904 -4.7522 3 1055.3195543 89502 303906624 896525 a-Alanine, conf. I
792699.4049 0.9904 -4.7522 3 1055.3195543 89502 303906625 896524 a-Alanine, conf. I
793075.9485 1.0778 -4.6395 3 1032.4382501 89502 3038374 9 827310 a-Alanine, conf. I
793075.9485 1.0778 -4.6395 3 1032.4382501 89502 303837410 8273 9 a-Alanine, conf. I
793257.2765 1.0238 -4.7735 3 1061.6070549 89502 303916526 906427 a-Alanine, conf. I
793257.2765 1.0238 -4.7735 3 1061.6070549 89502 303916527 906426 a-Alanine, conf. I
793728.0675 1.0196 -4.6543 3 1036.1194507 89502 303847311 837212 a-Alanine, conf. I
793728.0675 1.0196 -4.6543 3 1036.1194507 89502 303847312 837211 a-Alanine, conf. I
793796.0918 1.0611 -4.7957 3 1068.2505555 89502 303926428 916329 a-Alanine, conf. I
793796.0918 1.0611 -4.7957 3 1068.2505555 89502 303926429 916328 a-Alanine, conf. I
794313.5502 1.1012 -4.8189 3 1075.2524561 89502 303936330 926231 a-Alanine, conf. I
794313.5502 1.1012 -4.8189 3 1075.2524561 89502 303936331 926230 a-Alanine, conf. I
794370.9216 0.9792 -4.6699 3 1040.1451513 89502 303857213 847114 a-Alanine, conf. I
794370.9216 0.9792 -4.6699 3 1040.1451513 89502 303857214 847113 a-Alanine, conf. I
794806.9739 1.1432 -4.8431 3 1082.6151567 89502 303946232 936133 a-Alanine, conf. I
794806.9739 1.1432 -4.8431 3 1082.6151567 89502 303946233 936132 a-Alanine, conf. I
795003.7338 0.9556 -4.6864 3 1044.5163519 89502 303867115 857016 a-Alanine, conf. I
795003.7338 0.9556 -4.6864 3 1044.5163519 89502 303867116 857015 a-Alanine, conf. I
795051.4820 1.5839 -4.6014 3 1033.2449477 89502 3037979 0 7878 1 a-Alanine, conf. I
795051.4820 1.5839 -4.6014 3 1033.2449477 89502 3037979 1 7878 0 a-Alanine, conf. I
795273.2344 1.1868 -4.8684 3 1090.3414573 89502 303956134 946035 a-Alanine, conf. I
795273.2344 1.1868 -4.8684 3 1090.3414573 89502 303956135 946034 a-Alanine, conf. I
795625.6130 0.9474 -4.7037 3 1049.2344525 89502 303877017 866918 a-Alanine, conf. I
795625.6130 0.9474 -4.7037 3 1049.2344525 89502 303877018 866917 a-Alanine, conf. I
795708.6616 1.2316 -4.8948 3 1098.4342579 89502 303966036 955937 a-Alanine, conf. I
795708.6616 1.2316 -4.8948 3 1098.4342579 89502 303966037 955936 a-Alanine, conf. I
795737.3321 1.4481 -4.6128 3 1035.3989483 89502 3038078 2 7977 3 a-Alanine, conf. I
795737.3321 1.4481 -4.6128 3 1035.3989483 89502 3038078 3 7977 2 a-Alanine, conf. I
796108.9293 1.2776 -4.9223 3 1106.8972585 89502 303975938 965839 a-Alanine, conf. I
796108.9293 1.2776 -4.9223 3 1106.8972585 89502 303975939 965838 a-Alanine, conf. I
796235.5369 0.9524 -4.7218 3 1054.3005531 89502 303886919 876820 a-Alanine, conf. I
796235.5369 0.9524 -4.7218 3 1054.3005531 89502 303886920 876819 a-Alanine, conf. I
796416.3226 1.3278 -4.6249 3 1037.8933489 89502 3038177 4 8076 5 a-Alanine, conf. I
796416.3226 1.3278 -4.6249 3 1037.8933489 89502 3038177 5 8076 4 a-Alanine, conf. I
796468.9096 1.3247 -4.9510 3 1115.7339591 89502 303985840 975741 a-Alanine, conf. I
796468.9096 1.3247 -4.9510 3 1115.7339591 89502 303985841 975740 a-Alanine, conf. I
796782.4849 1.3730 -4.9810 3 1124.9489597 89502 303995742 985643 a-Alanine, conf. I
796782.4849 1.3730 -4.9810 3 1124.9489597 89502 303995743 985642 a-Alanine, conf. I
796832.3313 0.9682 -4.7408 3 1059.7162537 89502 303896821 886722 a-Alanine, conf. I
796832.3313 0.9682 -4.7408 3 1059.7162537 89502 303896822 886721 a-Alanine, conf. I
797042.3031 1.4226 -5.0123 3 1134.5470603 89502 303A05644 995545 a-Alanine, conf. I
797042.3031 1.4226 -5.0123 3 1134.5470603 89502 303A05645 995544 a-Alanine, conf. I
797088.0382 1.2239 -4.6378 3 1040.7288495 89502 3038276 6 8175 7 a-Alanine, conf. I
797088.0382 1.2239 -4.6378 3 1040.7288495 89502 3038276 7 8175 6 a-Alanine, conf. I
797239.4510 1.4733 -5.0451 3 1144.5337609 89502 303A15546 A05447 a-Alanine, conf. I
797239.4510 1.4733 -5.0451 3 1144.5337609 89502 303A15547 A05446 a-Alanine, conf. I
797363.0134 1.5248 -5.0795 3 1154.9154615 89502 303A25448 A15349 a-Alanine, conf. I
797363.0134 1.5248 -5.0795 3 1154.9154615 89502 303A25449 A15348 a-Alanine, conf. I
797399.4631 1.5767 -5.1156 3 1165.6995621 89502 303A35350 A25251 a-Alanine, conf. I
797399.4631 1.5767 -5.1156 3 1165.6995621 89502 303A35351 A25250 a-Alanine, conf. I
797414.6451 0.9927 -4.7606 3 1065.4830543 89502 303906723 896624 a-Alanine, conf. I
797414.6451 0.9927 -4.7606 3 1065.4830543 89502 303906724 896623 a-Alanine, conf. I
797752.0037 1.1374 -4.6515 3 1043.9063501 89502 3038375 8 8274 9 a-Alanine, conf. I
797752.0037 1.1374 -4.6515 3 1043.9063501 89502 3038375 9 8274 8 a-Alanine, conf. I
797980.9219 1.0235 -4.7814 3 1071.6027549 89502 303916625 906526 a-Alanine, conf. I
797980.9219 1.0235 -4.7814 3 1071.6027549 89502 303916626 906525 a-Alanine, conf. I
798407.6746 1.0688 -4.6659 3 1047.4266507 89502 303847410 837311 a-Alanine, conf. I
798407.6746 1.0688 -4.6659 3 1047.4266507 89502 303847411 837310 a-Alanine, conf. I
798529.3645 1.0592 -4.8031 3 1078.0771555 89502 303926527 916428 a-Alanine, conf. I
798529.3645 1.0592 -4.8031 3 1078.0771555 89502 303926528 916427 a-Alanine, conf. I
799054.4279 1.0182 -4.6812 3 1051.2907513 89502 303857312 847213 a-Alanine, conf. I
799054.4279 1.0182 -4.6812 3 1051.2907513 89502 303857313 847212 a-Alanine, conf. I
799057.8931 1.0982 -4.8257 3 1084.9083561 89502 303936429 926330 a-Alanine, conf. I
799057.8931 1.0982 -4.8257 3 1084.9083561 89502 303936430 926329 a-Alanine, conf. I
799564.0939 1.1396 -4.8494 3 1092.0987567 89502 303946331 936232 a-Alanine, conf. I
799564.0939 1.1396 -4.8494 3 1092.0987567 89502 303946332 936231 a-Alanine, conf. I
799691.5504 0.9853 -4.6972 3 1055.4997519 89502 303867214 857115 a-Alanine, conf. I
799691.5504 0.9853 -4.6972 3 1055.4997519 89502 303867215 857114 a-Alanine, conf. I
800045.1561 1.1829 -4.8740 3 1099.6508573 89502 303956233 946134 a-Alanine, conf. I
800045.1561 1.1829 -4.8740 3 1099.6508573 89502 303956234 946133 a-Alanine, conf. I
800318.2253 0.9687 -4.7140 3 1060.0547525 89502 303877116 867017 a-Alanine, conf. I
800318.2253 0.9687 -4.7140 3 1060.0547525 89502 303877117 867016 a-Alanine, conf. I
800402.5903 1.5439 -4.6265 3 1047.5034483 89502 3038079 1 7978 2 a-Alanine, conf. I
800402.5903 1.5439 -4.6265 3 1047.5034483 89502 3038079 2 7978 1 a-Alanine, conf. I
800497.7947 1.2275 -4.8998 3 1107.5675579 89502 303966135 956036 a-Alanine, conf. I
800497.7947 1.2275 -4.8998 3 1107.5675579 89502 303966136 956035 a-Alanine, conf. I
800918.1538 1.2733 -4.9266 3 1115.8519585 89502 303976037 965938 a-Alanine, conf. I
800918.1538 1.2733 -4.9266 3 1115.8519585 89502 303976038 965937 a-Alanine, conf. I
800933.5168 0.9666 -4.7317 3 1064.9569531 89502 303887018 876919 a-Alanine, conf. I
800933.5168 0.9666 -4.7317 3 1064.9569531 89502 303887019 876918 a-Alanine, conf. I
801084.3149 1.4139 -4.6382 3 1049.8389489 89502 3038178 3 8077 4 a-Alanine, conf. I
801084.3149 1.4139 -4.6382 3 1049.8389489 89502 3038178 4 8077 3 a-Alanine, conf. I
801301.6841 1.3203 -4.9546 3 1124.5076591 89502 303985939 975840 a-Alanine, conf. I
801301.6841 1.3203 -4.9546 3 1124.5076591 89502 303985940 975839 a-Alanine, conf. I
801536.3517 0.9768 -4.7502 3 1070.2077537 89502 303896920 886821 a-Alanine, conf. I
801536.3517 0.9768 -4.7502 3 1070.2077537 89502 303896921 886820 a-Alanine, conf. I
801642.9875 1.3685 -4.9838 3 1133.5385597 89502 303995841 985742 a-Alanine, conf. I
801642.9875 1.3685 -4.9838 3 1133.5385597 89502 303995842 985741 a-Alanine, conf. I
801758.9473 1.3001 -4.6507 3 1052.5150495 89502 3038277 5 8176 6 a-Alanine, conf. I
801758.9473 1.3001 -4.6507 3 1052.5150495 89502 3038277 6 8176 5 a-Alanine, conf. I
801935.6160 1.4178 -5.0143 3 1142.9491603 89502 303A05743 995644 a-Alanine, conf. I
801935.6160 1.4178 -5.0143 3 1142.9491603 89502 303A05744 995643 a-Alanine, conf. I
802125.4977 0.9969 -4.7696 3 1075.8086543 89502 303906822 896723 a-Alanine, conf. I
802125.4977 0.9969 -4.7696 3 1075.8086543 89502 303906823 896722 a-Alanine, conf. I
802171.8075 1.4684 -5.0462 3 1152.7445609 89502 303A15645 A05546 a-Alanine, conf. I
802171.8075 1.4684 -5.0462 3 1152.7445609 89502 303A15646 A05545 a-Alanine, conf. I
802342.1331 1.5201 -5.0796 3 1162.9305615 89502 303A25547 A15448 a-Alanine, conf. I
802342.1331 1.5201 -5.0796 3 1162.9305615 89502 303A25548 A15447 a-Alanine, conf. I
802426.0493 1.2033 -4.6640 3 1055.5325501 89502 3038376 7 8275 8 a-Alanine, conf. I
802426.0493 1.2033 -4.6640 3 1055.5325501 89502 3038376 8 8275 7 a-Alanine, conf. I
802435.0185 1.5725 -5.1146 3 1173.5137621 89502 303A35449 A25350 a-Alanine, conf. I
802435.0185 1.5725 -5.1146 3 1173.5137621 89502 303A35450 A25349 a-Alanine, conf. I
802699.5376 1.0246 -4.7898 3 1081.7611549 89502 303916724 906625 a-Alanine, conf. I
802699.5376 1.0246 -4.7898 3 1081.7611549 89502 303916725 906624 a-Alanine, conf. I
803085.1198 1.1242 -4.6780 3 1058.8923507 89502 3038475 9 837410 a-Alanine, conf. I
803085.1198 1.1242 -4.6780 3 1058.8923507 89502 303847510 8374 9 a-Alanine, conf. I
803256.8390 1.0581 -4.8110 3 1088.0672555 89502 303926626 916527 a-Alanine, conf. I
803256.8390 1.0581 -4.8110 3 1088.0672555 89502 303926627 916526 a-Alanine, conf. I
803735.5853 1.0633 -4.6928 3 1062.5953513 89502 303857411 847312 a-Alanine, conf. I
803735.5853 1.0633 -4.6928 3 1062.5953513 89502 303857412 847311 a-Alanine, conf. I
803795.5171 1.0957 -4.8331 3 1094.7287561 89502 303936528 926429 a-Alanine, conf. I
803795.5171 1.0957 -4.8331 3 1094.7287561 89502 303936529 926428 a-Alanine, conf. I
804313.3908 1.1363 -4.8562 3 1101.7479567 89502 303946430 936331 a-Alanine, conf. I
804313.3908 1.1363 -4.8562 3 1101.7479567 89502 303946431 936330 a-Alanine, conf. I
804376.7905 1.0204 -4.7084 3 1066.6424519 89502 303867313 857214 a-Alanine, conf. I
804376.7905 1.0204 -4.7084 3 1066.6424519 89502 303867314 857213 a-Alanine, conf. I
804807.9278 1.1791 -4.8803 3 1109.1270573 89502 303956332 946233 a-Alanine, conf. I
804807.9278 1.1791 -4.8803 3 1109.1270573 89502 303956333 946232 a-Alanine, conf. I
805007.9858 0.9947 -4.7248 3 1071.0348525 89502 303877215 867116 a-Alanine, conf. I
805007.9858 0.9947 -4.7248 3 1071.0348525 89502 303877216 867115 a-Alanine, conf. I
805066.1571 1.6457 -4.6406 3 1059.7649483 89502 3038080 0 7979 1 a-Alanine, conf. I
805066.1571 1.6457 -4.6406 3 1059.7649483 89502 3038080 1 7979 0 a-Alanine, conf. I
805276.1790 1.2234 -4.9054 3 1116.8688579 89502 303966234 956135 a-Alanine, conf. I
805276.1790 1.2234 -4.9054 3 1116.8688579 89502 303966235 956134 a-Alanine, conf. I
805628.3131 0.9848 -4.7420 3 1075.7736531 89502 303887117 877018 a-Alanine, conf. I
805628.3131 0.9848 -4.7420 3 1075.7736531 89502 303887118 877017 a-Alanine, conf. I
805714.6955 1.2691 -4.9316 3 1124.9762585 89502 303976136 966037 a-Alanine, conf. I
805714.6955 1.2691 -4.9316 3 1124.9762585 89502 303976137 966036 a-Alanine, conf. I
805750.5505 1.5062 -4.6520 3 1061.9418489 89502 3038179 2 8078 3 a-Alanine, conf. I
805750.5505 1.5062 -4.6520 3 1061.9418489 89502 3038179 3 8078 2 a-Alanine, conf. I
806119.4262 1.3160 -4.9589 3 1133.4525591 89502 303986038 975939 a-Alanine, conf. I
806119.4262 1.3160 -4.9589 3 1133.4525591 89502 303986039 975938 a-Alanine, conf. I
806236.7901 0.9885 -4.7601 3 1080.8601537 89502 303897019 886920 a-Alanine, conf. I
806236.7901 0.9885 -4.7601 3 1080.8601537 89502 303897020 886919 a-Alanine, conf. I
806428.0148 1.3825 -4.6641 3 1064.4589495 89502 3038278 4 8177 5 a-Alanine, conf. I
806428.0148 1.3825 -4.6641 3 1064.4589495 89502 3038278 5 8177 4 a-Alanine, conf. I
806485.5875 1.3640 -4.9874 3 1142.3013597 89502 303995940 985841 a-Alanine, conf. I
806485.5875 1.3640 -4.9874 3 1142.3013597 89502 303995941 985840 a-Alanine, conf. I
806807.4968 1.4132 -5.0171 3 1151.5267603 89502 303A05842 995743 a-Alanine, conf. I
806807.4968 1.4132 -5.0171 3 1151.5267603 89502 303A05843 995742 a-Alanine, conf. I
806832.2909 1.0034 -4.7790 3 1086.2957543 89502 303906921 896822 a-Alanine, conf. I
806832.2909 1.0034 -4.7790 3 1086.2957543 89502 303906922 896821 a-Alanine, conf. I
807078.3569 1.4636 -5.0481 3 1161.1335609 89502 303A15744 A05645 a-Alanine, conf. I
807078.3569 1.4636 -5.0481 3 1161.1335609 89502 303A15745 A05644 a-Alanine, conf. I
807098.1460 1.2755 -4.6769 3 1067.3168501 89502 3038377 6 8276 7 a-Alanine, conf. I
807098.1460 1.2755 -4.6769 3 1067.3168501 89502 3038377 7 8276 6 a-Alanine, conf. I
807289.9708 1.5152 -5.0806 3 1171.1267615 89502 303A25646 A15547 a-Alanine, conf. I
807289.9708 1.5152 -5.0806 3 1171.1267615 89502 303A25647 A15546 a-Alanine, conf. I
807413.5228 1.0274 -4.7988 3 1092.0819549 89502 303916823 906724 a-Alanine, conf. I
807413.5228 1.0274 -4.7988 3 1092.0819549 89502 303916824 906723 a-Alanine, conf. I
807432.3613 1.5678 -5.1146 3 1181.5126621 89502 303A35548 A25449 a-Alanine, conf. I
807432.3613 1.5678 -5.1146 3 1181.5126621 89502 303A35549 A25448 a-Alanine, conf. I
807760.4818 1.1859 -4.6905 3 1070.5164507 89502 3038476 8 8375 9 a-Alanine, conf. I
807760.4818 1.1859 -4.6905 3 1070.5164507 89502 3038476 9 8375 8 a-Alanine, conf. I
807979.0001 1.0581 -4.8194 3 1098.2204555 89502 303926725 916626 a-Alanine, conf. I
807979.0001 1.0581 -4.8194 3 1098.2204555 89502 303926726 916625 a-Alanine, conf. I
808414.4943 1.1145 -4.7049 3 1074.0586513 89502 303857510 847411 a-Alanine, conf. I
808414.4943 1.1145 -4.7049 3 1074.0586513 89502 303857511 847410 a-Alanine, conf. I
808527.0113 1.0940 -4.8410 3 1104.7131561 89502 303936627 926528 a-Alanine, conf. I
808527.0113 1.0940 -4.8410 3 1104.7131561 89502 303936628 926527 a-Alanine, conf. I
809055.5806 1.1334 -4.8636 3 1111.5620567 89502 303946529 936430 a-Alanine, conf. I
809055.5806 1.1334 -4.8636 3 1111.5620567 89502 303946530 936429 a-Alanine, conf. I
809059.5805 1.0613 -4.7201 3 1077.9443519 89502 303867412 857313 a-Alanine, conf. I
809059.5805 1.0613 -4.7201 3 1077.9443519 89502 303867413 857312 a-Alanine, conf. I
809562.4210 1.1755 -4.8871 3 1118.7693573 89502 303956431 946332 a-Alanine, conf. I
809562.4210 1.1755 -4.8871 3 1118.7693573 89502 303956432 946331 a-Alanine, conf. I
809695.0512 1.0260 -4.7361 3 1082.1745525 89502 303877314 867215 a-Alanine, conf. I
809695.0512 1.0260 -4.7361 3 1082.1745525 89502 303877315 867214 a-Alanine, conf. I
810044.8771 1.2195 -4.9116 3 1126.3374579 89502 303966333 956234 a-Alanine, conf. I
810044.8771 1.2195 -4.9116 3 1126.3374579 89502 303966334 956233 a-Alanine, conf. I
810320.1189 1.0075 -4.7528 3 1086.7504531 89502 303887216 877117 a-Alanine, conf. I
810320.1189 1.0075 -4.7528 3 1086.7504531 89502 303887217 877116 a-Alanine, conf. I
810415.0552 1.6046 -4.6661 3 1074.2019489 89502 3038180 1 8079 2 a-Alanine, conf. I
810415.0552 1.6046 -4.6661 3 1074.2019489 89502 3038180 2 8079 1 a-Alanine, conf. I
810499.8547 1.2650 -4.9371 3 1134.2692585 89502 303976235 966136 a-Alanine, conf. I
810499.8547 1.2650 -4.9371 3 1134.2692585 89502 303976236 966135 a-Alanine, conf. I
810923.7336 1.3117 -4.9638 3 1142.5676591 89502 303986137 976038 a-Alanine, conf. I
810923.7336 1.3117 -4.9638 3 1142.5676591 89502 303986138 976037 a-Alanine, conf. I
810933.8833 1.0038 -4.7704 3 1091.6731537 89502 303897118 887019 a-Alanine, conf. I
810933.8833 1.0038 -4.7704 3 1091.6731537 89502 303897119 887018 a-Alanine, conf. I
811095.2784 1.4711 -4.6778 3 1076.5602495 89502 3038279 3 8178 4 a-Alanine, conf. I
811095.2784 1.4711 -4.6778 3 1076.5602495 89502 3038279 4 8178 3 a-Alanine, conf. I
811312.2579 1.3595 -4.9916 3 1151.2361597 89502 303996039 985940 a-Alanine, conf. I
811312.2579 1.3595 -4.9916 3 1151.2361597 89502 303996040 985939 a-Alanine, conf. I
811535.3137 1.0129 -4.7889 3 1096.9441543 89502 303907020 896921 a-Alanine, conf. I
811535.3137 1.0129 -4.7889 3 1096.9441543 89502 303907021 896920 a-Alanine, conf. I
811660.3978 1.4086 -5.0206 3 1160.2784603 89502 303A05941 995842 a-Alanine, conf. I
811660.3978 1.4086 -5.0206 3 1160.2784603 89502 303A05942 995841 a-Alanine, conf. I
811768.3449 1.3540 -4.6903 3 1079.2588501 89502 3038378 5 8277 6 a-Alanine, conf. I
811768.3449 1.3540 -4.6903 3 1079.2588501 89502 3038378 6 8277 5 a-Alanine, conf. I
811962.1707 1.4588 -5.0508 3 1169.6988609 89502 303A15843 A05744 a-Alanine, conf. I
811962.1707 1.4588 -5.0508 3 1169.6988609 89502 303A15844 A05743 a-Alanine, conf. I
812123.2293 1.0322 -4.8082 3 1102.5646549 89502 303916922 906823 a-Alanine, conf. I
812123.2293 1.0322 -4.8082 3 1102.5646549 89502 303916923 906822 a-Alanine, conf. I
812210.4098 1.5103 -5.0824 3 1179.5021615 89502 303A25745 A15646 a-Alanine, conf. I
812210.4098 1.5103 -5.0824 3 1179.5021615 89502 303A25746 A15645 a-Alanine, conf. I
812396.4573 1.5629 -5.1154 3 1189.6937621 89502 303A35647 A25548 a-Alanine, conf. I
812396.4573 1.5629 -5.1154 3 1189.6937621 89502 303A35648 A25547 a-Alanine, conf. I
812433.8283 1.2540 -4.7035 3 1082.2986507 89502 3038477 7 8376 8 a-Alanine, conf. I
812433.8283 1.2540 -4.7035 3 1082.2986507 89502 3038477 8 8376 7 a-Alanine, conf. I
812696.2751 1.0597 -4.8284 3 1108.5363555 89502 303926824 916725 a-Alanine, conf. I
812696.2751 1.0597 -4.8284 3 1108.5363555 89502 303926825 916724 a-Alanine, conf. I
813091.2419 1.1719 -4.7175 3 1085.6804513 89502 3038576 9 847510 a-Alanine, conf. I
813091.2419 1.1719 -4.7175 3 1085.6804513 89502 303857610 8475 9 a-Alanine, conf. I
813252.8939 1.0932 -4.8494 3 1114.8610561 89502 303936726 926627 a-Alanine, conf. I
813252.8939 1.0932 -4.8494 3 1114.8610561 89502 303936727 926626 a-Alanine, conf. I
813740.0301 1.1083 -4.7322 3 1089.4050519 89502 303867511 857412 a-Alanine, conf. I
813740.0301 1.1083 -4.7322 3 1089.4050519 89502 303867512 857411 a-Alanine, conf. I
813791.2921 1.1311 -4.8715 3 1121.5405567 89502 303946628 936529 a-Alanine, conf. I
813791.2921 1.1311 -4.8715 3 1121.5405567 89502 303946629 936528 a-Alanine, conf. I
814309.3991 1.1723 -4.8944 3 1128.5769573 89502 303956530 946431 a-Alanine, conf. I
814309.3991 1.1723 -4.8944 3 1128.5769573 89502 303956531 946430 a-Alanine, conf. I
814379.5588 1.0629 -4.7478 3 1093.4736525 89502 303877413 867314 a-Alanine, conf. I
814379.5588 1.0629 -4.7478 3 1093.4736525 89502 303877414 867313 a-Alanine, conf. I
814804.8177 1.2157 -4.9184 3 1135.9725579 89502 303966432 956333 a-Alanine, conf. I
814804.8177 1.2157 -4.9184 3 1135.9725579 89502 303966433 956332 a-Alanine, conf. I
815009.1042 1.0351 -4.7641 3 1097.8870531 89502 303887315 877216 a-Alanine, conf. I
815009.1042 1.0351 -4.7641 3 1097.8870531 89502 303887316 877215 a-Alanine, conf. I
815077.8495 1.7090 -4.6807 3 1086.6191489 89502 3038181 0 8080 1 a-Alanine, conf. I
815077.8495 1.7090 -4.6807 3 1086.6191489 89502 3038181 1 8080 0 a-Alanine, conf. I
815274.7639 1.2609 -4.9433 3 1143.7299585 89502 303976334 966235 a-Alanine, conf. I
815274.7639 1.2609 -4.9433 3 1143.7299585 89502 303976335 966234 a-Alanine, conf. I
815627.8398 1.0233 -4.7813 3 1102.6465537 89502 303897217 887118 a-Alanine, conf. I
815627.8398 1.0233 -4.7813 3 1102.6465537 89502 303897218 887117 a-Alanine, conf. I
815715.9920 1.3074 -4.9694 3 1151.8520591 89502 303986236 976137 a-Alanine, conf. I
815715.9920 1.3074 -4.9694 3 1151.8520591 89502 303986237 976136 a-Alanine, conf. I
815760.7687 1.5659 -4.6920 3 1088.8188495 89502 3038280 2 8179 3 a-Alanine, conf. I
815760.7687 1.5659 -4.6920 3 1088.8188495 89502 3038280 3 8179 2 a-Alanine, conf. I
816124.7021 1.3551 -4.9965 3 1160.3417597 89502 303996138 986039 a-Alanine, conf. I
816124.7021 1.3551 -4.9965 3 1160.3417597 89502 303996139 986038 a-Alanine, conf. I
816234.8209 1.0256 -4.7993 3 1107.7533543 89502 303907119 897020 a-Alanine, conf. I
816234.8209 1.0256 -4.7993 3 1107.7533543 89502 303907120 897019 a-Alanine, conf. I
816436.6891 1.4388 -4.7041 3 1091.3584501 89502 3038379 4 8278 5 a-Alanine, conf. I
816436.6891 1.4388 -4.7041 3 1091.3584501 89502 3038379 5 8278 4 a-Alanine, conf. I
816496.4238 1.4040 -5.0247 3 1169.2027603 89502 303A06040 995941 a-Alanine, conf. I
816496.4238 1.4040 -5.0247 3 1169.2027603 89502 303A06041 995940 a-Alanine, conf. I
816825.8679 1.4541 -5.0542 3 1178.4389609 89502 303A15942 A05843 a-Alanine, conf. I
816825.8679 1.4541 -5.0542 3 1178.4389609 89502 303A15943 A05842 a-Alanine, conf. I
816828.9670 1.0396 -4.8181 3 1113.2087549 89502 303917021 906922 a-Alanine, conf. I
816828.9670 1.0396 -4.8181 3 1113.2087549 89502 303917022 906921 a-Alanine, conf. I
817105.2170 1.3284 -4.7169 3 1094.2387507 89502 3038478 6 8377 7 a-Alanine, conf. I
817105.2170 1.3284 -4.7169 3 1094.2387507 89502 3038478 7 8377 6 a-Alanine, conf. I
817106.7354 1.5054 -5.0850 3 1188.0547615 89502 303A25844 A15745 a-Alanine, conf. I
817106.7354 1.5054 -5.0850 3 1188.0547615 89502 303A25845 A15744 a-Alanine, conf. I
817331.4688 1.5579 -5.1171 3 1198.0550621 89502 303A35746 A25647 a-Alanine, conf. I
817331.4688 1.5579 -5.1171 3 1198.0550621 89502 303A35747 A25646 a-Alanine, conf. I
817409.0403 1.0630 -4.8378 3 1119.0143555 89502 303926923 916824 a-Alanine, conf. I
817409.0403 1.0630 -4.8378 3 1119.0143555 89502 303926924 916823 a-Alanine, conf. I
817765.9030 1.2358 -4.7305 3 1097.4604513 89502 3038577 8 8476 9 a-Alanine, conf. I
817765.9030 1.2358 -4.7305 3 1097.4604513 89502 3038577 9 8476 8 a-Alanine, conf. I
817973.6212 1.0936 -4.8584 3 1125.1717561 89502 303936825 926726 a-Alanine, conf. I
817973.6212 1.0936 -4.8584 3 1125.1717561 89502 303936826 926725 a-Alanine, conf. I
818418.2350 1.1615 -4.7448 3 1101.0244519 89502 303867610 857511 a-Alanine, conf. I
818418.2350 1.1615 -4.7448 3 1101.0244519 89502 303867611 857510 a-Alanine, conf. I
818521.0781 1.1296 -4.8799 3 1131.6827567 89502 303946727 936628 a-Alanine, conf. I
818521.0781 1.1296 -4.8799 3 1131.6827567 89502 303946728 936627 a-Alanine, conf. I
819049.5323 1.1695 -4.9023 3 1138.5492573 89502 303956629 946530 a-Alanine, conf. I
819049.5323 1.1695 -4.9023 3 1138.5492573 89502 303956630 946529 a-Alanine, conf. I
819061.6286 1.1057 -4.7599 3 1104.9316525 89502 303877512 867413 a-Alanine, conf. I
819061.6286 1.1057 -4.7599 3 1104.9316525 89502 303877513 867412 a-Alanine, conf. I
819556.8143 1.2122 -4.9257 3 1145.7734579 89502 303966531 956432 a-Alanine, conf. I
819556.8143 1.2122 -4.9257 3 1145.7734579 89502 303966532 956431 a-Alanine, conf. I
819695.4179 1.0680 -4.7759 3 1109.1831531 89502 303887414 877315 a-Alanine, conf. I
819695.4179 1.0680 -4.7759 3 1109.1831531 89502 303887415 877314 a-Alanine, conf. I
820040.4122 1.2569 -4.9501 3 1153.3576585 89502 303976433 966334 a-Alanine, conf. I
820040.4122 1.2569 -4.9501 3 1153.3576585 89502 303976434 966333 a-Alanine, conf. I
820318.8430 1.0474 -4.7926 3 1113.7798537 89502 303897316 887217 a-Alanine, conf. I
820318.8430 1.0474 -4.7926 3 1113.7798537 89502 303897317 887216 a-Alanine, conf. I
820424.5102 1.6669 -4.7067 3 1101.2345495 89502 3038281 1 8180 2 a-Alanine, conf. I
820424.5102 1.6669 -4.7067 3 1101.2345495 89502 3038281 2 8180 1 a-Alanine, conf. I
820497.4074 1.3032 -4.9755 3 1161.3046591 89502 303986335 976236 a-Alanine, conf. I
820497.4074 1.3032 -4.9755 3 1161.3046591 89502 303986336 976235 a-Alanine, conf. I
820924.3961 1.3508 -5.0020 3 1169.6171597 89502 303996237 986138 a-Alanine, conf. I
820924.3961 1.3508 -5.0020 3 1169.6171597 89502 303996238 986137 a-Alanine, conf. I
820931.0370 1.0422 -4.8101 3 1118.7230543 89502 303907218 897119 a-Alanine, conf. I
820931.0370 1.0422 -4.8101 3 1118.7230543 89502 303907219 897118 a-Alanine, conf. I
821103.2143 1.5298 -4.7183 3 1103.6154501 89502 3038380 3 8279 4 a-Alanine, conf. I
821103.2143 1.5298 -4.7183 3 1103.6154501 89502 3038380 4 8279 3 a-Alanine, conf. I
821317.3902 1.3995 -5.0296 3 1178.2986603 89502 303A06139 996040 a-Alanine, conf. I
821317.3902 1.3995 -5.0296 3 1178.2986603 89502 303A06140 996039 a-Alanine, conf. I
821531.0094 1.0500 -4.8285 3 1124.0140549 89502 303917120 907021 a-Alanine, conf. I
821531.0094 1.0500 -4.8285 3 1124.0140549 89502 303917121 907020 a-Alanine, conf. I
821671.6938 1.4495 -5.0583 3 1187.3525609 89502 303A16041 A05942 a-Alanine, conf. I
821671.6938 1.4495 -5.0583 3 1187.3525609 89502 303A16042 A05941 a-Alanine, conf. I
821774.6966 1.4093 -4.7308 3 1106.3365507 89502 3038479 5 8378 6 a-Alanine, conf. I
821774.6966 1.4093 -4.7308 3 1106.3365507 89502 3038479 6 8378 5 a-Alanine, conf. I
821981.7448 1.5006 -5.0883 3 1196.7829615 89502 303A25943 A15844 a-Alanine, conf. I
821981.7448 1.5006 -5.0883 3 1196.7829615 89502 303A25944 A15843 a-Alanine, conf. I
822117.6278 1.0686 -4.8477 3 1129.6541555 89502 303927022 916923 a-Alanine, conf. I
822117.6278 1.0686 -4.8477 3 1129.6541555 89502 303927023 916922 a-Alanine, conf. I
822240.9105 1.5530 -5.1196 3 1206.5945621 89502 303A35845 A25746 a-Alanine, conf. I
822240.9105 1.5530 -5.1196 3 1206.5945621 89502 303A35846 A25745 a-Alanine, conf. I
822438.5421 1.3061 -4.7439 3 1109.3985513 89502 3038578 7 8477 8 a-Alanine, conf. I
822438.5421 1.3061 -4.7439 3 1109.3985513 89502 3038578 8 8477 7 a-Alanine, conf. I
822689.5956 1.0957 -4.8678 3 1135.6449561 89502 303936924 926825 a-Alanine, conf. I
822689.5956 1.0957 -4.8678 3 1135.6449561 89502 303936925 926824 a-Alanine, conf. I
823094.2779 1.2211 -4.7579 3 1112.8022519 89502 3038677 9 857610 a-Alanine, conf. I
823094.2779 1.2211 -4.7579 3 1112.8022519 89502 303867710 8576 9 a-Alanine, conf. I
823245.4260 1.1292 -4.8888 3 1141.9882567 89502 303946826 936727 a-Alanine, conf. I
823245.4260 1.1292 -4.8888 3 1141.9882567 89502 303946827 936726 a-Alanine, conf. I
823741.3652 1.1546 -4.7726 3 1116.5485525 89502 303877611 867512 a-Alanine, conf. I
823741.3652 1.1546 -4.7726 3 1116.5485525 89502 303877612 867511 a-Alanine, conf. I
823783.4103 1.1674 -4.9107 3 1148.6856573 89502 303956728 946629 a-Alanine, conf. I
823783.4103 1.1674 -4.9107 3 1148.6856573 89502 303956729 946628 a-Alanine, conf. I
824301.5809 1.2090 -4.9336 3 1155.7393579 89502 303966630 956531 a-Alanine, conf. I
824301.5809 1.2090 -4.9336 3 1155.7393579 89502 303966631 956530 a-Alanine, conf. I
824379.1904 1.1067 -4.7881 3 1120.6383531 89502 303887513 877414 a-Alanine, conf. I
824379.1904 1.1067 -4.7881 3 1120.6383531 89502 303887514 877413 a-Alanine, conf. I
824797.6656 1.2532 -4.9574 3 1163.1515585 89502 303976532 966433 a-Alanine, conf. I
824797.6656 1.2532 -4.9574 3 1163.1515585 89502 303976533 966432 a-Alanine, conf. I
825007.0542 1.0766 -4.8044 3 1125.0728537 89502 303897415 887316 a-Alanine, conf. I
825007.0542 1.0766 -4.8044 3 1125.0728537 89502 303897416 887315 a-Alanine, conf. I
825086.5220 1.7740 -4.7217 3 1113.8071495 89502 3038282 0 8181 1 a-Alanine, conf. I
825086.5220 1.7740 -4.7217 3 1113.8071495 89502 3038282 1 8181 0 a-Alanine, conf. I
825269.0329 1.2991 -4.9822 3 1170.9246591 89502 303986434 976335 a-Alanine, conf. I
825269.0329 1.2991 -4.9822 3 1170.9246591 89502 303986435 976334 a-Alanine, conf. I
825624.1596 1.0630 -4.8215 3 1129.8529543 89502 303907317 897218 a-Alanine, conf. I
825624.1596 1.0630 -4.8215 3 1129.8529543 89502 303907318 897217 a-Alanine, conf. I
825712.6238 1.3465 -5.0081 3 1179.0613597 89502 303996336 986237 a-Alanine, conf. I
825712.6238 1.3465 -5.0081 3 1179.0613597 89502 303996337 986236 a-Alanine, conf. I
825767.9495 1.6272 -4.7330 3 1116.0296501 89502 3038381 2 8280 3 a-Alanine, conf. I
825767.9495 1.6272 -4.7330 3 1116.0296501 89502 3038381 3 8280 2 a-Alanine, conf. I
826124.8687 1.3951 -5.0351 3 1187.5647603 89502 303A06238 996139 a-Alanine, conf. I
826124.8687 1.3951 -5.0351 3 1187.5647603 89502 303A06239 996138 a-Alanine, conf. I
826229.5977 1.0638 -4.8394 3 1134.9799549 89502 303917219 907120 a-Alanine, conf. I
826229.5977 1.0638 -4.8394 3 1134.9799549 89502 303917220 907119 a-Alanine, conf. I
826442.3081 1.4965 -4.7450 3 1118.5918507 89502 3038480 4 8379 5 a-Alanine, conf. I
826442.3081 1.4965 -4.7450 3 1118.5918507 89502 3038480 5 8379 4 a-Alanine, conf. I
826501.5827 1.4449 -5.0631 3 1196.4381609 89502 303A16140 A06041 a-Alanine, conf. I
826501.5827 1.4449 -5.0631 3 1196.4381609 89502 303A16141 A06040 a-Alanine, conf. I
826822.3308 1.0768 -4.8581 3 1140.4552555 89502 303927121 917022 a-Alanine, conf. I
826822.3308 1.0768 -4.8581 3 1140.4552555 89502 303927122 917021 a-Alanine, conf. I
826837.8328 1.4959 -5.0924 3 1205.6853615 89502 303A26042 A15943 a-Alanine, conf. I
826837.8328 1.4959 -5.0924 3 1205.6853615 89502 303A26043 A15942 a-Alanine, conf. I
827109.2141 1.3829 -4.7578 3 1121.4944513 89502 3038579 6 8478 7 a-Alanine, conf. I
827109.2141 1.3829 -4.7578 3 1121.4944513 89502 3038579 7 8478 6 a-Alanine, conf. I
827401.1726 1.0996 -4.8778 3 1146.2802561 89502 303937023 926924 a-Alanine, conf. I
827401.1726 1.0996 -4.8778 3 1146.2802561 89502 303937024 926923 a-Alanine, conf. I
827768.2304 1.2871 -4.7713 3 1124.7381519 89502 3038678 8 8577 9 a-Alanine, conf. I
827768.2304 1.2871 -4.7713 3 1124.7381519 89502 3038678 9 8577 8 a-Alanine, conf. I
827964.7655 1.1300 -4.8983 3 1152.4564567 89502 303946925 936826 a-Alanine, conf. I
827964.7655 1.1300 -4.8983 3 1152.4564567 89502 303946926 936825 a-Alanine, conf. I
828418.8597 1.2099 -4.7856 3 1128.3239525 89502 303877710 867611 a-Alanine, conf. I
828418.8597 1.2099 -4.7856 3 1128.3239525 89502 303877711 867610 a-Alanine, conf. I
828511.5528 1.1661 -4.9197 3 1158.9856573 89502 303956827 946728 a-Alanine, conf. I
828511.5528 1.1661 -4.9197 3 1158.9856573 89502 303956828 946727 a-Alanine, conf. I
829039.7459 1.2064 -4.9420 3 1165.8697579 89502 303966729 956630 a-Alanine, conf. I
829039.7459 1.2064 -4.9420 3 1165.8697579 89502 303966730 956629 a-Alanine, conf. I
829060.5360 1.1514 -4.8007 3 1132.2526531 89502 303887612 877513 a-Alanine, conf. I
829060.5360 1.1514 -4.8007 3 1132.2526531 89502 303887613 877512 a-Alanine, conf. I
829547.2847 1.2497 -4.9653 3 1173.1108585 89502 303976631 966532 a-Alanine, conf. I
829547.2847 1.2497 -4.9653 3 1173.1108585 89502 303976632 966531 a-Alanine, conf. I
829692.6149 1.1113 -4.8166 3 1136.5252537 89502 303897514 887415 a-Alanine, conf. I
829692.6149 1.1113 -4.8166 3 1136.5252537 89502 303897515 887414 a-Alanine, conf. I
830031.7901 1.2951 -4.9896 3 1180.7112591 89502 303986533 976434 a-Alanine, conf. I
830031.7901 1.2951 -4.9896 3 1180.7112591 89502 303986534 976433 a-Alanine, conf. I
830314.3630 1.0886 -4.8332 3 1141.1427543 89502 303907416 897317 a-Alanine, conf. I
830314.3630 1.0886 -4.8332 3 1141.1427543 89502 303907417 897316 a-Alanine, conf. I
830430.9179 1.7308 -4.7481 3 1128.6009501 89502 3038382 1 8281 2 a-Alanine, conf. I
830430.9179 1.7308 -4.7481 3 1128.6009501 89502 3038382 2 8281 1 a-Alanine, conf. I
830490.5056 1.3423 -5.0148 3 1188.6734597 89502 303996435 986336 a-Alanine, conf. I
830490.5056 1.3423 -5.0148 3 1188.6734597 89502 303996436 986335 a-Alanine, conf. I
830920.2259 1.3907 -5.0411 3 1197.0002603 89502 303A06337 996238 a-Alanine, conf. I
830920.2259 1.3907 -5.0411 3 1197.0002603 89502 303A06338 996237 a-Alanine, conf. I
830924.9449 1.0816 -4.8507 3 1146.1063549 89502 303917318 907219 a-Alanine, conf. I
830924.9449 1.0816 -4.8507 3 1146.1063549 89502 303917319 907218 a-Alanine, conf. I
831108.0853 1.5901 -4.7597 3 1131.0044507 89502 3038481 3 8380 4 a-Alanine, conf. I
831108.0853 1.5901 -4.7597 3 1131.0044507 89502 3038481 4 8380 3 a-Alanine, conf. I
831317.2080 1.4404 -5.0686 3 1205.6948609 89502 303A16239 A06140 a-Alanine, conf. I
831317.2080 1.4404 -5.0686 3 1205.6948609 89502 303A16240 A06139 a-Alanine, conf. I
831523.4081 1.0882 -4.8690 3 1151.4173555 89502 303927220 917121 a-Alanine, conf. I
831523.4081 1.0882 -4.8690 3 1151.4173555 89502 303927221 917120 a-Alanine, conf. I
831677.0602 1.4912 -5.0971 3 1214.7605615 89502 303A26141 A16042 a-Alanine, conf. I
831677.0602 1.4912 -5.0971 3 1214.7605615 89502 303A26142 A16041 a-Alanine, conf. I
831777.9653 1.4661 -4.7721 3 1133.7479513 89502 3038580 5 8479 6 a-Alanine, conf. I
831777.9653 1.4661 -4.7721 3 1133.7479513 89502 3038580 6 8479 5 a-Alanine, conf. I
832108.6658 1.1060 -4.8882 3 1157.0770561 89502 303937122 927023 a-Alanine, conf. I
832108.6658 1.1060 -4.8882 3 1157.0770561 89502 303937123 927022 a-Alanine, conf. I
832440.1537 1.3597 -4.7852 3 1136.8321519 89502 3038679 7 8578 8 a-Alanine, conf. I
832440.1537 1.3597 -4.7852 3 1136.8321519 89502 3038679 8 8578 7 a-Alanine, conf. I
832679.4763 1.1326 -4.9082 3 1163.0869567 89502 303947024 936925 a-Alanine, conf. I
832679.4763 1.1326 -4.9082 3 1163.0869567 89502 303947025 936924 a-Alanine, conf. I
833094.1909 1.2716 -4.7991 3 1140.2577525 89502 3038778 9 867710 a-Alanine, conf. I
833094.1909 1.2716 -4.7991 3 1140.2577525 89502 303877810 8677 9 a-Alanine, conf. I
833234.4184 1.1660 -4.9291 3 1169.4487573 89502 303956926 946827 a-Alanine, conf. I
833234.4184 1.1660 -4.9291 3 1169.4487573 89502 303956927 946826 a-Alanine, conf. I
833739.5543 1.2023 -4.8138 3 1144.0255531 89502 303887711 877612 a-Alanine, conf. I
833739.5543 1.2023 -4.8138 3 1144.0255531 89502 303887712 877611 a-Alanine, conf. I
833771.8630 1.2045 -4.9510 3 1176.1641579 89502 303966828 956729 a-Alanine, conf. I
833771.8630 1.2045 -4.9510 3 1176.1641579 89502 303966829 956728 a-Alanine, conf. I
834289.9383 1.2466 -4.9737 3 1183.2351585 89502 303976730 966631 a-Alanine, conf. I
834289.9383 1.2466 -4.9737 3 1183.2351585 89502 303976731 966630 a-Alanine, conf. I
834375.6494 1.1518 -4.8293 3 1148.1367537 89502 303897613 887514 a-Alanine, conf. I
834375.6494 1.1518 -4.8293 3 1148.1367537 89502 303897614 887513 a-Alanine, conf. I
834786.4882 1.2914 -4.9974 3 1190.6638591 89502 303986632 976533 a-Alanine, conf. I
834786.4882 1.2914 -4.9974 3 1190.6638591 89502 303986633 976532 a-Alanine, conf. I
835001.8005 1.1194 -4.8455 3 1152.5920543 89502 303907515 897416 a-Alanine, conf. I
835001.8005 1.1194 -4.8455 3 1152.5920543 89502 303907516 897415 a-Alanine, conf. I
835092.1373 1.8405 -4.7636 3 1141.3290501 89502 3038383 0 8282 1 a-Alanine, conf. I
835092.1373 1.8405 -4.7636 3 1141.3290501 89502 3038383 1 8282 0 a-Alanine, conf. I
835259.0221 1.3381 -5.0221 3 1198.4526597 89502 303996534 986435 a-Alanine, conf. I
835259.0221 1.3381 -5.0221 3 1198.4526597 89502 303996535 986434 a-Alanine, conf. I
835617.2386 1.1039 -4.8625 3 1157.3928549 89502 303917417 907318 a-Alanine, conf. I
835617.2386 1.1039 -4.8625 3 1157.3928549 89502 303917418 907317 a-Alanine, conf. I
835704.6534 1.3864 -5.0478 3 1206.6041603 89502 303A06436 996337 a-Alanine, conf. I
835704.6534 1.3864 -5.0478 3 1206.6041603 89502 303A06437 996336 a-Alanine, conf. I
835772.0556 1.6900 -4.7749 3 1143.5743507 89502 3038482 2 8381 3 a-Alanine, conf. I
835772.0556 1.6900 -4.7749 3 1143.5743507 89502 3038482 3 8381 2 a-Alanine, conf. I
836120.0236 1.4359 -5.0746 3 1215.1213609 89502 303A16338 A06239 a-Alanine, conf. I
836120.0236 1.4359 -5.0746 3 1215.1213609 89502 303A16339 A06238 a-Alanine, conf. I
836221.0885 1.1032 -4.8804 3 1162.5400555 89502 303927319 917220 a-Alanine, conf. I
836221.0885 1.1032 -4.8804 3 1162.5400555 89502 303927320 917219 a-Alanine, conf. I
836444.8345 1.5558 -4.7869 3 1146.1589513 89502 3038581 4 8480 5 a-Alanine, conf. I
836444.8345 1.5558 -4.7869 3 1146.1589513 89502 3038581 5 8480 4 a-Alanine, conf. I
836501.2083 1.4866 -5.1025 3 1224.0073615 89502 303A26240 A16141 a-Alanine, conf. I
836501.2083 1.4866 -5.1025 3 1224.0073615 89502 303A26241 A16140 a-Alanine, conf. I
836812.3528 1.1151 -4.8991 3 1168.0350561 89502 303937221 927122 a-Alanine, conf. I
836812.3528 1.1151 -4.8991 3 1168.0350561 89502 303937222 927121 a-Alanine, conf. I
837110.1000 1.4388 -4.7996 3 1149.0838519 89502 3038680 6 8579 7 a-Alanine, conf. I
837110.1000 1.4388 -4.7996 3 1149.0838519 89502 3038680 7 8579 6 a-Alanine, conf. I
837389.8939 1.1372 -4.9187 3 1173.8793567 89502 303947123 937024 a-Alanine, conf. I
837389.8939 1.1372 -4.9187 3 1173.8793567 89502 303947124 937023 a-Alanine, conf. I
837767.4268 1.3398 -4.8131 3 1152.3495525 89502 3038779 8 8678 9 a-Alanine, conf. I
837767.4268 1.3398 -4.8131 3 1152.3495525 89502 3038779 9 8678 8 a-Alanine, conf. I
837952.4123 1.1674 -4.9391 3 1180.0743573 89502 303957025 946926 a-Alanine, conf. I
837952.4123 1.1674 -4.9391 3 1180.0743573 89502 303957026 946925 a-Alanine, conf. I
838416.3319 1.2596 -4.8273 3 1155.9570531 89502 303887810 877711 a-Alanine, conf. I
838416.3319 1.2596 -4.8273 3 1155.9570531 89502 303887811 877710 a-Alanine, conf. I
838498.4212 1.2035 -4.9604 3 1186.6218579 89502 303966927 956828 a-Alanine, conf. I
838498.4212 1.2035 -4.9604 3 1186.6218579 89502 303966928 956827 a-Alanine, conf. I
839026.2162 1.2441 -4.9827 3 1193.5235585 89502 303976829 966730 a-Alanine, conf. I
839026.2162 1.2441 -4.9827 3 1193.5235585 89502 303976830 966729 a-Alanine, conf. I
839056.2663 1.1984 -4.8424 3 1159.9071537 89502 303897712 887613 a-Alanine, conf. I
839056.2663 1.1984 -4.8424 3 1159.9071537 89502 303897713 887612 a-Alanine, conf. I
839533.8391 1.2880 -5.0058 3 1200.7816591 89502 303986731 976632 a-Alanine, conf. I
839533.8391 1.2880 -5.0058 3 1200.7816591 89502 303986732 976631 a-Alanine, conf. I
839686.6066 1.1559 -4.8582 3 1164.2007543 89502 303907614 897515 a-Alanine, conf. I
839686.6066 1.1559 -4.8582 3 1164.2007543 89502 303907615 897514 a-Alanine, conf. I
840019.0339 1.3342 -5.0300 3 1208.3981597 89502 303996633 986534 a-Alanine, conf. I
840019.0339 1.3342 -5.0300 3 1208.3981597 89502 303996634 986533 a-Alanine, conf. I
840306.6444 1.1310 -4.8748 3 1168.8390549 89502 303917516 907417 a-Alanine, conf. I
840306.6444 1.1310 -4.8748 3 1168.8390549 89502 303917517 907416 a-Alanine, conf. I
840434.2409 1.7962 -4.7904 3 1156.3011507 89502 3038483 1 8382 2 a-Alanine, conf. I
840434.2409 1.7962 -4.7904 3 1156.3011507 89502 3038483 2 8382 1 a-Alanine, conf. I
840479.1939 1.3821 -5.0551 3 1216.3756603 89502 303A06535 996436 a-Alanine, conf. I
840479.1939 1.3821 -5.0551 3 1216.3756603 89502 303A06536 996435 a-Alanine, conf. I
840911.2964 1.4314 -5.0813 3 1224.7167609 89502 303A16437 A06338 a-Alanine, conf. I
840911.2964 1.4314 -5.0813 3 1224.7167609 89502 303A16438 A06337 a-Alanine, conf. I
840915.5739 1.1223 -4.8922 3 1173.8230555 89502 303927418 917319 a-Alanine, conf. I
840915.5739 1.1223 -4.8922 3 1173.8230555 89502 303927419 917318 a-Alanine, conf. I
841109.8540 1.6519 -4.8020 3 1158.7272513 89502 3038582 3 8481 4 a-Alanine, conf. I
841109.8540 1.6519 -4.8020 3 1158.7272513 89502 3038582 4 8481 3 a-Alanine, conf. I
841512.4789 1.1275 -4.9105 3 1179.1539561 89502 303937320 927221 a-Alanine, conf. I
841512.4789 1.1275 -4.9105 3 1179.1539561 89502 303937321 927220 a-Alanine, conf. I
841778.1135 1.5244 -4.8144 3 1161.4931519 89502 3038681 5 8580 6 a-Alanine, conf. I
841778.1135 1.5244 -4.8144 3 1161.4931519 89502 3038681 6 8580 5 a-Alanine, conf. I
842096.3153 1.1444 -4.9296 3 1184.8331567 89502 303947222 937123 a-Alanine, conf. I
842096.3153 1.1444 -4.9296 3 1184.8331567 89502 303947223 937122 a-Alanine, conf. I
842438.6258 1.4147 -4.8275 3 1164.5993525 89502 3038780 7 8679 8 a-Alanine, conf. I
842438.6258 1.4147 -4.8275 3 1164.5993525 89502 3038780 8 8679 7 a-Alanine, conf. I
842665.8929 1.1705 -4.9496 3 1190.8621573 89502 303957124 947025 a-Alanine, conf. I
842665.8929 1.1705 -4.9496 3 1190.8621573 89502 303957125 947024 a-Alanine, conf. I
843090.9439 1.3235 -4.8413 3 1168.0467531 89502 3038879 9 877810 a-Alanine, conf. I
843090.9439 1.3235 -4.8413 3 1168.0467531 89502 303887910 8778 9 a-Alanine, conf. I
843219.8525 1.2038 -4.9704 3 1197.2424579 89502 303967026 956927 a-Alanine, conf. I
843219.8525 1.2038 -4.9704 3 1197.2424579 89502 303967027 956926 a-Alanine, conf. I
843734.5605 1.2513 -4.8559 3 1171.8361537 89502 303897811 887712 a-Alanine, conf. I
843734.5605 1.2513 -4.8559 3 1171.8361537 89502 303897812 887711 a-Alanine, conf. I
843756.6391 1.2425 -4.9921 3 1203.9757585 89502 303976928 966829 a-Alanine, conf. I
843756.6391 1.2425 -4.9921 3 1203.9757585 89502 303976929 966828 a-Alanine, conf. I
844274.4703 1.2850 -5.0148 3 1211.0640591 89502 303986830 976731 a-Alanine, conf. I
844274.4703 1.2850 -5.0148 3 1211.0640591 89502 303986831 976730 a-Alanine, conf. I
844368.8997 1.1982 -4.8713 3 1175.9685543 89502 303907713 897614 a-Alanine, conf. I
844368.8997 1.1982 -4.8713 3 1175.9685543 89502 303907714 897613 a-Alanine, conf. I
844771.2978 1.3304 -5.0384 3 1218.5093597 89502 303996732 986633 a-Alanine, conf. I
844771.2978 1.3304 -5.0384 3 1218.5093597 89502 303996733 986632 a-Alanine, conf. I
844993.3078 1.1635 -4.8875 3 1180.4447549 89502 303917615 907516 a-Alanine, conf. I
844993.3078 1.1635 -4.8875 3 1180.4447549 89502 303917616 907515 a-Alanine, conf. I
845094.6580 1.9087 -4.8064 3 1169.1847507 89502 3038484 0 8383 1 a-Alanine, conf. I
845094.6580 1.9087 -4.8064 3 1169.1847507 89502 3038484 1 8383 0 a-Alanine, conf. I
845244.7619 1.3779 -5.0629 3 1226.3138603 89502 303A06634 996535 a-Alanine, conf. I
845244.7619 1.3779 -5.0629 3 1226.3138603 89502 303A06635 996534 a-Alanine, conf. I
845607.0427 1.1460 -4.9045 3 1185.2659555 89502 303927517 917418 a-Alanine, conf. I
845607.0427 1.1460 -4.9045 3 1185.2659555 89502 303927518 917417 a-Alanine, conf. I
845692.1346 1.4270 -5.0885 3 1234.4802609 89502 303A16536 A06437 a-Alanine, conf. I
845692.1346 1.4270 -5.0885 3 1234.4802609 89502 303A16537 A06436 a-Alanine, conf. I
845773.0496 1.7544 -4.8176 3 1171.4526513 89502 3038583 2 8482 3 a-Alanine, conf. I
845773.0496 1.7544 -4.8176 3 1171.4526513 89502 3038583 3 8482 2 a-Alanine, conf. I
846209.2609 1.1437 -4.9224 3 1190.4333561 89502 303937419 927320 a-Alanine, conf. I
846209.2609 1.1437 -4.9224 3 1190.4333561 89502 303937420 927319 a-Alanine, conf. I
846444.2311 1.6166 -4.8296 3 1174.0597519 89502 3038682 4 8581 5 a-Alanine, conf. I
846444.2311 1.6166 -4.8296 3 1174.0597519 89502 3038682 5 8581 4 a-Alanine, conf. I
846799.0031 1.1545 -4.9410 3 1195.9481567 89502 303947321 937222 a-Alanine, conf. I
846799.0031 1.1545 -4.9410 3 1195.9481567 89502 303947322 937221 a-Alanine, conf. I
847107.8376 1.4962 -4.8423 3 1177.0068525 89502 3038781 6 8680 7 a-Alanine, conf. I
847107.8376 1.4962 -4.8423 3 1177.0068525 89502 3038781 7 8680 6 a-Alanine, conf. I
847375.1775 1.1759 -4.9605 3 1201.8116573 89502 303957223 947124 a-Alanine, conf. I
847375.1775 1.1759 -4.9605 3 1201.8116573 89502 303957224 947123 a-Alanine, conf. I
847763.4553 1.3940 -4.8557 3 1180.2944531 89502 3038880 8 8779 9 a-Alanine, conf. I
847763.4553 1.3940 -4.8557 3 1180.2944531 89502 3038880 9 8779 8 a-Alanine, conf. I
847936.5393 1.2056 -4.9808 3 1208.0254579 89502 303967125 957026 a-Alanine, conf. I
847936.5393 1.2056 -4.9808 3 1208.0254579 89502 303967126 957025 a-Alanine, conf. I
848410.6145 1.3108 -4.8700 3 1183.9235537 89502 303897910 887811 a-Alanine, conf. I
848410.6145 1.3108 -4.8700 3 1183.9235537 89502 303897911 887810 a-Alanine, conf. I
848481.6673 1.2418 -5.0021 3 1214.5911585 89502 303977027 966928 a-Alanine, conf. I
848481.6673 1.2418 -5.0021 3 1214.5911585 89502 303977028 966927 a-Alanine, conf. I
849008.9357 1.2827 -5.0242 3 1221.5104591 89502 303986929 976830 a-Alanine, conf. I
849008.9357 1.2827 -5.0242 3 1221.5104591 89502 303986930 976829 a-Alanine, conf. I
849048.7831 1.2468 -4.8849 3 1187.8950543 89502 303907812 897713 a-Alanine, conf. I
849048.7831 1.2468 -4.8849 3 1187.8950543 89502 303907813 897712 a-Alanine, conf. I
849516.4810 1.3271 -5.0473 3 1228.7854597 89502 303996831 986732 a-Alanine, conf. I
849516.4810 1.3271 -5.0473 3 1228.7854597 89502 303996832 986731 a-Alanine, conf. I
849677.3572 1.2017 -4.9007 3 1192.2097549 89502 303917714 907615 a-Alanine, conf. I
849677.3572 1.2017 -4.9007 3 1192.2097549 89502 303917715 907614 a-Alanine, conf. I
850002.1618 1.3740 -5.0713 3 1236.4181603 89502 303A06733 996634 a-Alanine, conf. I
850002.1618 1.3740 -5.0713 3 1236.4181603 89502 303A06734 996633 a-Alanine, conf. I
850295.6521 1.1747 -4.9173 3 1196.8686555 89502 303927616 917517 a-Alanine, conf. I
850295.6521 1.1747 -4.9173 3 1196.8686555 89502 303927617 917516 a-Alanine, conf. I
850434.4420 1.8633 -4.8336 3 1184.3349513 89502 3038584 1 8483 2 a-Alanine, conf. I
850434.4420 1.8633 -4.8336 3 1184.3349513 89502 3038584 2 8483 1 a-Alanine, conf. I
850902.8906 1.1641 -4.9347 3 1201.8729561 89502 303937518 927419 a-Alanine, conf. I
850902.8906 1.1641 -4.9347 3 1201.8729561 89502 303937519 927418 a-Alanine, conf. I
851108.4831 1.7153 -4.8452 3 1186.7836519 89502 3038683 3 8582 4 a-Alanine, conf. I
851108.4831 1.7153 -4.8452 3 1186.7836519 89502 3038683 4 8582 3 a-Alanine, conf. I
851498.1901 1.1679 -4.9529 3 1207.2238567 89502 303947420 937321 a-Alanine, conf. I
851498.1901 1.1679 -4.9529 3 1207.2238567 89502 303947421 937320 a-Alanine, conf. I
851775.1041 1.5843 -4.8575 3 1189.5718525 89502 3038782 5 8681 6 a-Alanine, conf. I
851775.1041 1.5843 -4.8575 3 1189.5718525 89502 3038782 6 8681 5 a-Alanine, conf. I
852080.5473 1.1838 -4.9719 3 1212.9225573 89502 303957322 947223 a-Alanine, conf. I
852080.5473 1.1838 -4.9719 3 1212.9225573 89502 303957323 947222 a-Alanine, conf. I
852433.9214 1.4712 -4.8706 3 1192.7000531 89502 3038881 7 8780 8 a-Alanine, conf. I
852433.9214 1.4712 -4.8706 3 1192.7000531 89502 3038881 8 8780 7 a-Alanine, conf. I
852648.8204 1.2094 -4.9918 3 1218.9704579 89502 303967224 957125 a-Alanine, conf. I
852648.8204 1.2094 -4.9918 3 1218.9704579 89502 303967225 957124 a-Alanine, conf. I
853084.5000 1.3769 -4.8844 3 1196.1692537 89502 3038980 9 887910 a-Alanine, conf. I
853084.5000 1.3769 -4.8844 3 1196.1692537 89502 303898010 8879 9 a-Alanine, conf. I
853201.7083 1.2425 -5.0125 3 1225.3692585 89502 303977126 967027 a-Alanine, conf. I
853201.7083 1.2425 -5.0125 3 1225.3692585 89502 303977127 967026 a-Alanine, conf. I
853726.3473 1.3018 -4.8990 3 1199.9801543 89502 303907911 897812 a-Alanine, conf. I
853726.3473 1.3018 -4.8990 3 1199.9801543 89502 303907912 897811 a-Alanine, conf. I
853737.7254 1.2813 -5.0342 3 1232.1204591 89502 303987028 976929 a-Alanine, conf. I
853737.7254 1.2813 -5.0342 3 1232.1204591 89502 303987029 976928 a-Alanine, conf. I
854255.1727 1.3243 -5.0567 3 1239.2259597 89502 303996930 986831 a-Alanine, conf. I
854255.1727 1.3243 -5.0567 3 1239.2259597 89502 303996931 986830 a-Alanine, conf. I
854358.9050 1.2459 -4.9143 3 1204.1336549 89502 303917813 907714 a-Alanine, conf. I
854358.9050 1.2459 -4.9143 3 1204.1336549 89502 303917814 907713 a-Alanine, conf. I
854752.1026 1.3703 -5.0802 3 1246.6878603 89502 303A06832 996733 a-Alanine, conf. I
854752.1026 1.3703 -5.0802 3 1246.6878603 89502 303A06833 996732 a-Alanine, conf. I
854981.5408 1.2089 -4.9305 3 1208.6306555 89502 303927715 917616 a-Alanine, conf. I
854981.5408 1.2089 -4.9305 3 1208.6306555 89502 303927716 917615 a-Alanine, conf. I
855094.0468 1.9786 -4.8500 3 1197.3740513 89502 3038585 0 8484 1 a-Alanine, conf. I
855094.0468 1.9786 -4.8500 3 1197.3740513 89502 3038585 1 8484 0 a-Alanine, conf. I
855593.5375 1.1893 -4.9474 3 1213.4724561 89502 303937617 927518 a-Alanine, conf. I
855593.5375 1.1893 -4.9474 3 1213.4724561 89502 303937618 927517 a-Alanine, conf. I
855770.8942 1.8205 -4.8612 3 1199.6646519 89502 3038684 2 8583 3 a-Alanine, conf. I
855770.8942 1.8205 -4.8612 3 1199.6646519 89502 3038684 3 8583 2 a-Alanine, conf. I
856194.0820 1.1853 -4.9652 3 1218.6598567 89502 303947519 937420 a-Alanine, conf. I
856194.0820 1.1853 -4.9652 3 1218.6598567 89502 303947520 937419 a-Alanine, conf. I
856440.4604 1.6790 -4.8732 3 1202.2941525 89502 3038783 4 8682 5 a-Alanine, conf. I
856440.4604 1.6790 -4.8732 3 1202.2941525 89502 3038783 5 8682 4 a-Alanine, conf. I
856782.2512 1.1949 -4.9838 3 1224.1943573 89502 303957421 947322 a-Alanine, conf. I
856782.2512 1.1949 -4.9838 3 1224.1943573 89502 303957422 947321 a-Alanine, conf. I
857102.3896 1.5551 -4.8858 3 1205.2632531 89502 3038882 6 8781 7 a-Alanine, conf. I
857102.3896 1.5551 -4.8858 3 1205.2632531 89502 3038882 7 8781 6 a-Alanine, conf. I
857356.9961 1.2155 -5.0032 3 1230.0770579 89502 303967323 957224 a-Alanine, conf. I
857356.9961 1.2155 -5.0032 3 1230.0770579 89502 303967324 957223 a-Alanine, conf. I
857756.2785 1.4497 -4.8993 3 1208.5728537 89502 3038981 8 8880 9 a-Alanine, conf. I
857756.2785 1.4497 -4.8993 3 1208.5728537 89502 3038981 9 8880 8 a-Alanine, conf. I
857917.1234 1.2449 -5.0235 3 1236.3095585 89502 303977225 967126 a-Alanine, conf. I
857917.1234 1.2449 -5.0235 3 1236.3095585 89502 303977226 967125 a-Alanine, conf. I
858401.6709 1.3634 -4.9134 3 1212.2235543 89502 303908010 897911 a-Alanine, conf. I
858401.6709 1.3634 -4.9134 3 1212.2235543 89502 303908011 897910 a-Alanine, conf. I
858461.2734 1.2810 -5.0447 3 1242.8934591 89502 303987127 977028 a-Alanine, conf. I
858461.2734 1.2810 -5.0447 3 1242.8934591 89502 303987128 977027 a-Alanine, conf. I
858987.8941 1.3222 -5.0667 3 1249.8303597 89502 303997029 986930 a-Alanine, conf. I
858987.8941 1.3222 -5.0667 3 1249.8303597 89502 303997030 986929 a-Alanine, conf. I
859038.0499 1.2965 -4.9284 3 1216.2162549 89502 303917912 907813 a-Alanine, conf. I
859038.0499 1.2965 -4.9284 3 1216.2162549 89502 303917913 907812 a-Alanine, conf. I
859664.8308 1.2489 -4.9441 3 1220.5518555 89502 303927814 917715 a-Alanine, conf. I
859664.8308 1.2489 -4.9441 3 1220.5518555 89502 303927815 917714 a-Alanine, conf. I
860281.3513 1.2196 -4.9607 3 1225.2314561 89502 303937716 927617 a-Alanine, conf. I
860281.3513 1.2196 -4.9607 3 1225.2314561 89502 303937717 927616 a-Alanine, conf. I
860431.4837 1.9321 -4.8777 3 1212.7024519 89502 3038685 1 8584 2 a-Alanine, conf. I
860431.4837 1.9321 -4.8777 3 1212.7024519 89502 3038685 2 8584 1 a-Alanine, conf. I
860886.8612 1.2071 -4.9780 3 1230.2560567 89502 303947618 937519 a-Alanine, conf. I
860886.8612 1.2071 -4.9780 3 1230.2560567 89502 303947619 937518 a-Alanine, conf. I
861103.9353 1.7803 -4.8892 3 1215.1736525 89502 3038784 3 8683 4 a-Alanine, conf. I
861103.9353 1.7803 -4.8892 3 1215.1736525 89502 3038784 4 8683 3 a-Alanine, conf. I
861480.5099 1.2095 -4.9961 3 1235.6267573 89502 303957520 947421 a-Alanine, conf. I
861480.5099 1.2095 -4.9961 3 1235.6267573 89502 303957521 947420 a-Alanine, conf. I
861768.8998 1.6457 -4.9015 3 1217.9839531 89502 3038883 5 8782 6 a-Alanine, conf. I
861768.8998 1.6457 -4.9015 3 1217.9839531 89502 3038883 6 8782 5 a-Alanine, conf. I
862061.3326 1.2243 -5.0151 3 1241.3448579 89502 303967422 957323 a-Alanine, conf. I
862061.3326 1.2243 -5.0151 3 1241.3448579 89502 303967423 957322 a-Alanine, conf. I
862426.0031 1.5293 -4.9146 3 1221.1341537 89502 3038982 7 8881 8 a-Alanine, conf. I
862426.0031 1.5293 -4.9146 3 1221.1341537 89502 3038982 8 8881 7 a-Alanine, conf. I
862628.2330 1.2493 -5.0349 3 1247.4117585 89502 303977324 967225 a-Alanine, conf. I
862628.2330 1.2493 -5.0349 3 1247.4117585 89502 303977325 967224 a-Alanine, conf. I
863074.8220 1.4317 -4.9284 3 1224.6250543 89502 3039081 9 898010 a-Alanine, conf. I
863074.8220 1.4317 -4.9284 3 1224.6250543 89502 303908110 8980 9 a-Alanine, conf. I
863179.9645 1.2822 -5.0556 3 1253.8289591 89502 303987226 977127 a-Alanine, conf. I
863179.9645 1.2822 -5.0556 3 1253.8289591 89502 303987227 977126 a-Alanine, conf. I
863714.8779 1.3536 -4.9429 3 1228.4573549 89502 303918011 907912 a-Alanine, conf. I
863714.8779 1.3536 -4.9429 3 1228.4573549 89502 303918012 907911 a-Alanine, conf. I
863715.1069 1.3211 -5.0772 3 1260.5980597 89502 303997128 987029 a-Alanine, conf. I
863715.1069 1.3211 -5.0772 3 1260.5980597 89502 303997129 987028 a-Alanine, conf. I
864345.6293 1.2951 -4.9582 3 1232.6319555 89502 303927913 917814 a-Alanine, conf. I
864345.6293 1.2951 -4.9582 3 1232.6319555 89502 303927914 917813 a-Alanine, conf. I
864966.4638 1.2555 -4.9743 3 1237.1498561 89502 303937815 927716 a-Alanine, conf. I
864966.4638 1.2555 -4.9743 3 1237.1498561 89502 303937816 927715 a-Alanine, conf. I
865090.2663 2.0502 -4.8946 3 1225.8969519 89502 3038686 0 8585 1 a-Alanine, conf. I
865090.2663 2.0502 -4.8946 3 1225.8969519 89502 3038686 1 8585 0 a-Alanine, conf. I
865576.6886 1.2338 -4.9912 3 1242.0119567 89502 303947717 937618 a-Alanine, conf. I
865576.6886 1.2338 -4.9912 3 1242.0119567 89502 303947718 937617 a-Alanine, conf. I
865765.5520 1.8882 -4.9057 3 1228.2100525 89502 3038785 2 8684 3 a-Alanine, conf. I
865765.5520 1.8882 -4.9057 3 1228.2100525 89502 3038785 3 8684 2 a-Alanine, conf. I
866175.5190 1.2282 -5.0089 3 1247.2194573 89502 303957619 947520 a-Alanine, conf. I
866175.5190 1.2282 -5.0089 3 1247.2194573 89502 303957620 947519 a-Alanine, conf. I
866433.4853 1.7430 -4.9176 3 1230.8619531 89502 3038884 4 8783 5 a-Alanine, conf. I
866433.4853 1.7430 -4.9176 3 1230.8619531 89502 3038884 5 8783 4 a-Alanine, conf. I
866762.0660 1.2364 -5.0275 3 1252.7734579 89502 303967521 957422 a-Alanine, conf. I
866762.0660 1.2364 -5.0275 3 1252.7734579 89502 303967522 957421 a-Alanine, conf. I
867093.7188 1.6156 -4.9303 3 1233.8531537 89502 3038983 6 8882 7 a-Alanine, conf. I
867093.7188 1.6156 -4.9303 3 1233.8531537 89502 3038983 7 8882 6 a-Alanine, conf. I
867335.3214 1.2562 -5.0468 3 1258.6754585 89502 303977423 967324 a-Alanine, conf. I
867335.3214 1.2562 -5.0468 3 1258.6754585 89502 303977424 967323 a-Alanine, conf. I
867745.8596 1.5069 -4.9437 3 1237.1844543 89502 3039082 8 8981 9 a-Alanine, conf. I
867745.8596 1.5069 -4.9437 3 1237.1844543 89502 3039082 9 8981 8 a-Alanine, conf. I
867894.1402 1.2851 -5.0671 3 1264.9266591 89502 303987325 977226 a-Alanine, conf. I
867894.1402 1.2851 -5.0671 3 1264.9266591 89502 303987326 977225 a-Alanine, conf. I
868389.4639 1.4174 -4.9578 3 1240.8567549 89502 303918110 908011 a-Alanine, conf. I
868389.4639 1.4174 -4.9578 3 1240.8567549 89502 303918111 908010 a-Alanine, conf. I
869024.0302 1.3477 -4.9728 3 1244.8706555 89502 303928012 917913 a-Alanine, conf. I
869024.0302 1.3477 -4.9728 3 1244.8706555 89502 303928013 917912 a-Alanine, conf. I
869648.9914 1.2974 -4.9884 3 1249.2272561 89502 303937914 927815 a-Alanine, conf. I
869648.9914 1.2974 -4.9884 3 1249.2272561 89502 303937915 927814 a-Alanine, conf. I
870263.7068 1.2658 -5.0049 3 1253.9273567 89502 303947816 937717 a-Alanine, conf. I
870263.7068 1.2658 -5.0049 3 1253.9273567 89502 303947817 937716 a-Alanine, conf. I
870425.3287 2.0025 -4.9227 3 1241.4033525 89502 3038786 1 8685 2 a-Alanine, conf. I
870425.3287 2.0025 -4.9227 3 1241.4033525 89502 3038786 2 8685 1 a-Alanine, conf. I
870867.4517 1.2514 -5.0222 3 1258.9721573 89502 303957718 947619 a-Alanine, conf. I
870867.4517 1.2514 -5.0222 3 1258.9721573 89502 303957719 947618 a-Alanine, conf. I
871096.1733 1.8469 -4.9342 3 1243.8969531 89502 3038885 3 8784 4 a-Alanine, conf. I
871096.1733 1.8469 -4.9342 3 1243.8969531 89502 3038885 4 8784 3 a-Alanine, conf. I
871459.4060 1.2522 -5.0403 3 1264.3626579 89502 303967620 957521 a-Alanine, conf. I
871459.4060 1.2522 -5.0403 3 1264.3626579 89502 303967621 957520 a-Alanine, conf. I
871759.4633 1.7087 -4.9464 3 1246.7294537 89502 3038984 5 8883 6 a-Alanine, conf. I
871759.4633 1.7087 -4.9464 3 1246.7294537 89502 3038984 6 8883 5 a-Alanine, conf. I
872038.6410 1.2660 -5.0592 3 1270.1001585 89502 303977522 967423 a-Alanine, conf. I
872038.6410 1.2660 -5.0592 3 1270.1001585 89502 303977523 967422 a-Alanine, conf. I
872414.8339 1.5888 -4.9594 3 1249.9016543 89502 3039083 7 8982 8 a-Alanine, conf. I
872414.8339 1.5888 -4.9594 3 1249.9016543 89502 3039083 8 8982 7 a-Alanine, conf. I
873061.8731 1.4881 -4.9732 3 1253.4141549 89502 3039182 9 908110 a-Alanine, conf. I
873061.8731 1.4881 -4.9732 3 1253.4141549 89502 303918210 9081 9 a-Alanine, conf. I
873700.1156 1.4069 -4.9877 3 1257.2677555 89502 303928111 918012 a-Alanine, conf. I
873700.1156 1.4069 -4.9877 3 1257.2677555 89502 303928112 918011 a-Alanine, conf. I
874329.0360 1.3455 -5.0030 3 1261.4634561 89502 303938013 927914 a-Alanine, conf. I
874329.0360 1.3455 -5.0030 3 1261.4634561 89502 303938014 927913 a-Alanine, conf. I
874948.0413 1.3035 -5.0191 3 1266.0019567 89502 303947915 937816 a-Alanine, conf. I
874948.0413 1.3035 -5.0191 3 1266.0019567 89502 303947916 937815 a-Alanine, conf. I
875083.2791 2.1234 -4.9400 3 1254.7532525 89502 3038787 0 8686 1 a-Alanine, conf. I
875083.2791 2.1234 -4.9400 3 1254.7532525 89502 3038787 1 8686 0 a-Alanine, conf. I
875556.4612 1.2796 -5.0359 3 1270.8844573 89502 303957817 947718 a-Alanine, conf. I
875556.4612 1.2796 -5.0359 3 1270.8844573 89502 303957818 947717 a-Alanine, conf. I
875756.9858 1.9575 -4.9511 3 1257.0888531 89502 3038886 2 8785 3 a-Alanine, conf. I
875756.9858 1.9575 -4.9511 3 1257.0888531 89502 3038886 3 8785 2 a-Alanine, conf. I
876153.5384 1.2722 -5.0536 3 1276.1119579 89502 303967719 957620 a-Alanine, conf. I
876153.5384 1.2722 -5.0536 3 1276.1119579 89502 303967720 957619 a-Alanine, conf. I
876423.2684 1.8086 -4.9630 3 1259.7630537 89502 3038985 4 8884 5 a-Alanine, conf. I
876423.2684 1.8086 -4.9630 3 1259.7630537 89502 3038985 5 8884 4 a-Alanine, conf. I
877081.7878 1.6777 -4.9756 3 1262.7762543 89502 3039084 6 8983 7 a-Alanine, conf. I
877081.7878 1.6777 -4.9756 3 1262.7762543 89502 3039084 7 8983 6 a-Alanine, conf. I
877732.1613 1.5655 -4.9890 3 1266.1293549 89502 3039183 8 9082 9 a-Alanine, conf. I
877732.1613 1.5655 -4.9890 3 1266.1293549 89502 3039183 9 9082 8 a-Alanine, conf. I
878373.9569 1.4729 -5.0031 3 1269.8230555 89502 303928210 918111 a-Alanine, conf. I
878373.9569 1.4729 -5.0031 3 1269.8230555 89502 303928211 918110 a-Alanine, conf. I
879006.6873 1.4002 -5.0180 3 1273.8581561 89502 303938112 928013 a-Alanine, conf. I
879006.6873 1.4002 -5.0180 3 1273.8581561 89502 303938113 928012 a-Alanine, conf. I
879629.8029 1.3473 -5.0336 3 1278.2355567 89502 303948014 937915 a-Alanine, conf. I
879629.8029 1.3473 -5.0336 3 1278.2355567 89502 303948015 937914 a-Alanine, conf. I
880242.6832 1.3133 -5.0501 3 1282.9562573 89502 303957916 947817 a-Alanine, conf. I
880242.6832 1.3133 -5.0501 3 1282.9562573 89502 303957917 947816 a-Alanine, conf. I
880415.9398 2.0747 -4.9685 3 1270.4376531 89502 3038887 1 8786 2 a-Alanine, conf. I
880415.9398 2.0747 -4.9685 3 1270.4376531 89502 3038887 2 8786 1 a-Alanine, conf. I
881085.1598 1.9152 -4.9800 3 1272.9535537 89502 3038986 3 8885 4 a-Alanine, conf. I
881085.1598 1.9152 -4.9800 3 1272.9535537 89502 3038986 4 8885 3 a-Alanine, conf. I
881746.7574 1.7733 -4.9922 3 1275.8082543 89502 3039085 5 8984 6 a-Alanine, conf. I
881746.7574 1.7733 -4.9922 3 1275.8082543 89502 3039085 6 8984 5 a-Alanine, conf. I
882400.3766 1.6500 -5.0052 3 1279.0022549 89502 3039184 7 9083 8 a-Alanine, conf. I
882400.3766 1.6500 -5.0052 3 1279.0022549 89502 3039184 8 9083 7 a-Alanine, conf. I
883045.6161 1.5459 -5.0189 3 1282.5363555 89502 3039283 9 918210 a-Alanine, conf. I
883045.6161 1.5459 -5.0189 3 1282.5363555 89502 303928310 9182 9 a-Alanine, conf. I
883682.0235 1.4617 -5.0334 3 1286.4112561 89502 303938211 928112 a-Alanine, conf. I
883682.0235 1.4617 -5.0334 3 1286.4112561 89502 303938212 928111 a-Alanine, conf. I
884309.0890 1.3974 -5.0487 3 1290.6279567 89502 303948113 938014 a-Alanine, conf. I
884309.0890 1.3974 -5.0487 3 1290.6279567 89502 303948114 938013 a-Alanine, conf. I
885073.0480 2.1984 -4.9863 3 1283.9429531 89502 3038888 0 8787 1 a-Alanine, conf. I
885073.0480 2.1984 -4.9863 3 1283.9429531 89502 3038888 1 8787 0 a-Alanine, conf. I
885745.1582 2.0285 -4.9974 3 1286.3010537 89502 3038987 2 8886 3 a-Alanine, conf. I
885745.1582 2.0285 -4.9974 3 1286.3010537 89502 3038987 3 8886 2 a-Alanine, conf. I
886409.7724 1.8758 -5.0092 3 1288.9973543 89502 3039086 4 8985 5 a-Alanine, conf. I
886409.7724 1.8758 -5.0092 3 1288.9973543 89502 3039086 5 8985 4 a-Alanine, conf. I
887066.5596 1.7413 -5.0218 3 1292.0325549 89502 3039185 6 9084 7 a-Alanine, conf. I
887066.5596 1.7413 -5.0218 3 1292.0325549 89502 3039185 7 9084 6 a-Alanine, conf. I
887715.1465 1.6258 -5.0352 3 1295.4073555 89502 3039284 8 9183 9 a-Alanine, conf. I
887715.1465 1.6258 -5.0352 3 1295.4073555 89502 3039284 9 9183 8 a-Alanine, conf. I
888355.1128 1.5299 -5.0492 3 1299.1224561 89502 303938310 928211 a-Alanine, conf. I
888355.1128 1.5299 -5.0492 3 1299.1224561 89502 303938311 928210 a-Alanine, conf. I
890403.2795 2.1485 -5.0152 3 1299.8051537 89502 3038988 1 8887 2 a-Alanine, conf. I
890403.2795 2.1485 -5.0152 3 1299.8051537 89502 3038988 2 8887 1 a-Alanine, conf. I
891070.8574 1.9851 -5.0267 3 1302.3434543 89502 3039087 3 8986 4 a-Alanine, conf. I
891070.8574 1.9851 -5.0267 3 1302.3434543 89502 3039087 4 8986 3 a-Alanine, conf. I
891730.7447 1.8395 -5.0389 3 1305.2201549 89502 3039186 5 9085 6 a-Alanine, conf. I
891730.7447 1.8395 -5.0389 3 1305.2201549 89502 3039186 6 9085 5 a-Alanine, conf. I
892382.5939 1.7126 -5.0518 3 1308.4359555 89502 3039285 7 9184 8 a-Alanine, conf. I
892382.5939 1.7126 -5.0518 3 1308.4359555 89502 3039285 8 9184 7 a-Alanine, conf. I
895059.5356 2.2751 -5.0334 3 1313.4657537 89502 3038989 0 8888 1 a-Alanine, conf. I
895059.5356 2.2751 -5.0334 3 1313.4657537 89502 3038989 1 8888 0 a-Alanine, conf. I
895730.0318 2.1012 -5.0445 3 1315.8462543 89502 3039088 2 8987 3 a-Alanine, conf. I
895730.0318 2.1012 -5.0445 3 1315.8462543 89502 3039088 3 8987 2 a-Alanine, conf. I